Division of Agricultural and Food Chemistry Fall 2017

CORNUCOPIA

including the AGFD program and abstracts for the

254th American Chemical Society National Meeting

August 20 - 24, 2017

in

WASHINGTON D.C.

BRIAN GUTHRIE, Program Chair

Attend AGFD

technical sessions at the Washington

Convention Center

Dear Readers – Starting Fall 2017 the

printed Cornucopia is on a paper-saving ‘green’ diet and will not

include AGFD abstracts. Find AGFD abstracts in the this expanded

Cornucopia posted on the AGFD website.

Join the AGFD Awards Banquet Tuesday, August 22, 5:30-8:00 pm

at B Too

1324 14th Street NW (directions below)

page CONTENTS

2 Message from the Chair 3 Future AGFD programs 5 Report on 1st International Flavor and Fragrance Conference 6 Ballot for election of AGFD officers 7 Puzzle page 8 Membership application - join the team ! 9 Roster of AGFD officers and committee leadership 10 Award News 11 Executive committee meeting minutes 13 AGFD technical program

back cover Schedule of AGFD technical/business/planning and merrymaking activities

Directions to AGFD Awards Banquet – from the Convention Center L Street entrance proceed west (with traffic)

to 10th St. Turn right and continue north on 10th St. to N St. Turn left and continue westbound on N St. to 14th St. Cross 14th St. and turn right. Continue north on 14th St. a half block. B Too will be on your left.

Visit our website - agfd.sites.acs.org - for a pdf of Cornucopia, job postings, awards, and much more. Check out our Facebook page - www.facebook.com/agandfood We’re on LinkedIn, too!

Deadline for submission of content for Spring Cornucopia: Jan 15.

2 Cornucopia Fall 2017 AGFD

MESSAGE FROM THE CHAIR

As I complete my service as the 2017 Chair of the Agricultural and Food Chemistry Division (AGFD) of the American Chemical Society (ACS), I reflect on the three goals, which were developed at our division’s 2016 Strategic Planning Retreat. These are: 1) continue and expand high quality technical offerings, 2) increase engagement of existing and new members in AGFD activities, and 3) increase stakeholder engagement by expanding cooperative programming and other offerings with outside organizations, internal and external to the ACS. Similar to the past decade, the future holds numerous challenges and opportunities for the field of agricultural and food chemistry. AGFD is the flagship division of the ACS, which advocates for safe, nutritious, and sustainable food and agricultural supplies that meet global challenges. Clearly, it is imperative that AGFD members remain actively involved if we are to accomplish the aforementioned goals over the next five years.

In line with goal 1, AGFD continues to provide outstanding technical programs. For example, the 253rd ACS spring meeting in San Francisco had 15 symposia, 31 sessions, and 270 papers comprised of 187 oral and 83 poster presentations. The current 254th fall meeting in Washington DC comprises 16 symposia, 36 sessions, and 277 papers including 46 poster and 231 orals. Other progress towards goal 1 includes the development of an AGFD future program committee, and the drafting of a new strategy and funding model for national meeting programming. On a personal note, I am especially passionate about championing goal 2 (engaging existing members and recruiting new members) and challenge each existing AGFD member to recruit three new members over the next year! An AGFD committee has advanced goal 2 by creating a new process for soliciting symposium proposals from AGFD members. As for goal 3, a committee has been formed to develop strategies for co-organizing synergistic symposia/technical programs with national organizations such as IFT, SOT, AOAC, etc.

The AGFD Awards Banquet, a ticketed event, will be held at B Too located at 1324 14th Street NW with a cocktail reception from 5:30-6:00 PM followed by dinner from 6-8:00 PM. Ronald Wrolstad from Oregon State University won the Division’s Award for Advancement of Application of Agricultural and Food Chemistry and is being honored at the AGFD Award Symposium on Tuesday afternoon. Other 2017 awards include the Roy Teranishi Graduate Fellowship in Food Chemistry won by Tianxi Yang from the University of Massachusetts, the Withycombe-Charalambous Award for Excellence in Graduate Research in Agricultural or Food Chemistry won by Jingjing Guo from Rutgers University, the AGFD Undergraduate Award won by Marti Hua from the University of British Columbia, and Russell Rouseff from the University of Florida won the Award for Distinguished Service to the AGFD. AGFD Fellow awardees are Hang Xiao of the University of Massachusetts and Andrea Buettner of the University of Erlangen-Nuremberg in Germany and we are delighted that two AGFD members, Stephen Duke and Alyson Mitchell, are ACS Fellow awardees. The Young Scientist awardee will be announced at the banquet.

I am grateful to several AGFD members including Bosoon Park (immediate past chair), Brian Guthrie (chair-elect), Hang Ma, Michael Tunick, Stephen Toth, Carl Frey, Michael Appell, Lauren Jackson, and Alyson Mitchell. Thanks to all of the members who dedicate their time, selflessly, to advance the mission of the AGFD.

Navindra P. Seeram 2017 AGFD Chair College of Pharmacy The University of Rhode Island nseeram@uri.edu

CORNUCOPIA EDITORIAL STAFF & CONTACT INFORMATION

Editor-in-Chief C. Frey cfreyenterprise@gmail.com General Manager P. White Staff C. Kent, L. Lane, J. Olsen

AGFD Cornucopia Fall 2017 3

FUTURE PROGRAMS NEW ORLEANS March 18-22, 2018 Metabolomics Diet & Effects Sourav Chakraborthy Central CT State Univ. schakraborty@ccsu.edu

Chemistry of Sex Alyson Mitchell UC Davis aemitchell@ucdavis.edu Mike Tunick USDA ARS michael.tunick@ars.usda.gov Kathryn Deibler Pfizer kdd3@cornell.edu John Finley Louisiana State Univ. Jfinle5@lsu.edu Gavin Sacks Cornell Univ. gls9@cornell.edu Steven Toth International Flavors and Fragrances stephen.toth@iff.com

(C4) Communicating Chemistry: Creole Cooking Gavin Sacks Cornell Univ. gls9@cornell.edu Justin Miller Hobart & William Smith Colleges jsmiller@hws.edu Donnie Golden Fresno State dgolden@csufresno.edu

Chemistry of Spirits Mike Qian Oregon State Univ. michael.qian@oregonstate.edu Michael Granvogl Technical Univ. of Munich michael.granvogl@tum.de Keith Cadwallader University of Illinois at Urbana-Champaign cadwlldr@illinois.edu

Phosphates from the Farm to the Dead Zone John Finley Louisiana State University Jfinle5@lsu.edu

Dietary Fiber: Chemistry, Physiology and Health Benefits Indika Edirisinghe Illinois Institute of Technology iedirisi@iit.edu Britt Burton-Freeman Illinois Institute of Technology bburton@iit.edu Luke R. Howard University of Arkansas ukeh@uark.edu

Chemistry and Application for Cotton Sechin Chang USDA ARS SeChin.Chang@ars.usda.gov

Energy, Water and Food Production Mike Appell USDA ARS Michael.Appell@ars.usda.gov

Environmental Effects on Gulf Coast Seafoods John Finley Louisiana State Univ. Jfinle5@lsu.edu

Impact of Climate Change on the Food, Energy, Water Nexus John Finley Louisiana State University Jfinle5@lsu.edu

Food Bioactives and Gut Microflora Liangli (Lucy) Lu U. Maryland lyu5@umd.edu

110th UMAMI Memorial Symposium: Past, Present, Future Hisayuki Uneyama Ajinomoto Co. Inc. hisayuki_uneyama@ajinomoto.com Indika Edirisinghe Illinois Institute of Technology iedirisi@iit.edu

Kenneth A. Spencer Award Symposium (co-sponsored by AGRO/AGFD) Eckhard Hellmuth UMKC hellmuthe@umkc.edu Wallace Yokoyama USDA Wally.Yokoyama@ars.usda.gov

International Student Symposium Philipp Schmidberger Philipp Technical Univ. of Munich ph_schmidberger@gmx.de Roberta Tardugno Univ. of Modena and Reggio Emilia roberta.tardugno@unimore.it Federica Pellati University of Modena and Reggio Emilia federica.pellati@unimore.it

Career Trajectories for the Ag and Food Chemist: Panel Discussion Brian Guthrie Cargill, Inc. brian_guthrie@cargill.com

General Papers Brian Guthrie Cargill, Inc. brian_guthrie@cargill.com

General Posters Brian Guthrie Cargill, Inc. brian_guthrie@cargill.com

ACS National Meeting Theme: The Food, Energy, Water Nexus continues on next page

4 Cornucopia Fall 2017 AGFD continued from previous page

BOSTON August 19-23, 2018 Nano-Biotechnology in Foods and Nutraceuticals Fereidoon Shahidi Memorial Univ. of Newfoundland fshahidi@mun.ca

Bioactives and Neurodegenerative Diseases Navindra Seeram Univ. of Rhode Island nseeram@uri.edu Hang Ma Univ. of Rhode Island hang_ma@uri.edu

Characterization of Taste Modulators: Chemical, Biological and Sensorial Mathias Sucan Pfizer, mathias.sucan@gmail.com Brian Guthrie Cargill Inc brian_guthrie@cargill.com David Josephson Mane dave.josephson@mane.com

Dietary Polyphenols and Gut Microbiota Shengmin Sang NC A&T State University ssang@ncat.edu

Chemistry, Flavor and Health Effects of Teas Chi-Tang Ho Rutgers University ctho@sebs.rutgers.edu Daxiang Li Anhui Agricultural University dxli@ahau.edu.cn Zhengzhu Zhang Anhui Agricultural University zzz@ahau.edu.cn Yu Wang University of Florida yu.wang@ufl.edu

Functional Foods (with Japanese Society of Food Factors [JSoFF]) Alyson Mitchell UC Davis aemitchell@ucdavis.edu Akira Murakami University of Hyogo Japan De-Xing Hou Kagoshima University Japan

Protein, Food Structure Vermont P Dia The University of Tennessee vdia@utk.edu Yuzhu Zhang ARS/USDA yuzhu.zhang@ars.usda.gov

Health Promoting Food Ingredients Coralia Osoria Roa Universidad Nacional de Colombia cosorior@unal.edu.co

Food for Space Travel TBD (NASA-Michele- John Finley to contact)

CRISPR (Biotech. sub-division, Rashmi Tiwari)

Advances in Pathogens and Toxins Bosoon Park USDA bosoon.park@ars.usda.gov

Structure and Assembly of Food Biopolymers Qingrong Huang Rutgers University qhuang@sebs.rutgers.edu

Aroma Release Flavor Modulation of Perception TBD (Flavor sub-division)

Bioactives and Skin Health Benefits Navindra Seeram U. of Rhode Island nseeram@uri.edu Hang Ma U. of Rhode Island hang_ma@uri.edu Kelly George L’Oreal USA KGEORGE@rd.us.loreal.com ACS National Meeting Theme: Nanotechnology

BEYOND 2018 Emerging Trends in Nano-bioactives for the Prevention of Chronic Diseases Bhimu Patil Texas A&M Univ. b-patil@tamu.edu G. K. Jayaprakasha Texas A&M Univ. gkjp@tamu.edu

Food Packaging Materials John Finley Louisiana State University Jfinle5@lsu.edu Michael Morello PepsiCo mike.morello@pepsico.com

Chemistry of Mediterranean Foods (co-sponsor: IAC) Ellene Tratras Contis Eastern Michigan University econtis@emich.edu Agnes Rimando USDA, ARS agnes.rimando@ars.usda.gov

AGFD Cornucopia Fall 2017 5

First International Flavor and Fragrance Conference

The First International Flavor and Fragrance Conference met in Cartagena, Colombia May 10-12, 2017 (http://iffunalacs.unal.edu.co/flavor-chemistry-workshop/) largely due to contributions from Dr. Coralia Osorio of the Department of Chemistry, National University of Colombia, Bogotá, Colombia, and her team. Prior to the Conference, 30 students attended a 2 day flavor workshop where researchers from academia as well as food and flavor industries provided an overview on flavor chemistry, flavor analysis, flavor-food interaction, and processing of flavor and fragrance materials.

The Conference received 50 abstracts and attracted >100 people from around the world. All conference attendees received an invitation to join AGFD. Featured Conference speakers included Terry Acree (Cornell Univ.) on sensation, Gary Beauchamp (Monell Chemical Senses Center) on flavor pleasure, Charles Spence (Oxford Univ.) on Neuroscience, Mary Ann Drake (North Carolina State Univ.) on sensory analysis, Fereidoon Shahidi (Memorial Univ. of Newfoundland) on lipid off-flavor, and Gary Reineccius (Univ. of Minnesota) on flavor encapsulation.

Great discussions and interactions took place in and out the sessions and generated huge interest to continue the Conference in other countries (Chile, Panama, Brazil). The organizing committee (Michael Qian, Gary Reineccius, Fereidoon Shahidi, Coralia Osorio) plans a 2nd International Flavor and Fragrance Conference in 2019 in Chile. Thanks to Michael Qian for reporting on this event and providing the photo, below.

AGFD Division Vision and Mission Statements Vision

Enhance quality of life by advocating safe, nutritious and sustainable food and agricultural supplies that meet global challenges.

Mission Lead and foster a diverse community to promote and advance agricultural and food chemistry research,

education, outreach and communication.

6 Cornucopia - Fall 2017 AGFD

ELECTION OF DIVISION COUNCILORS If you are a full member of AGFD, please mark the ballot below, SIGN IN THE SPACE PROVIDED, and print your name legibly beneath the signature. Fold the page on the dotted lines so that the ballot is on the inside and the mailing address on the outside. Tape or a staple the open edges, affix postage and mail. Ballots must be received by November 1, 2017. After your membership is verified, the portion of the form with your signature and name will be removed prior to opening and counting the ballots. Thank you for exercising your democratic franchise.

----------------------------------------- fold up -------------------------------------------- Vote for 2 Councilors for the 2018 - 2020 term (or write in your own candidate) [ ] John Finley [ ] Lauren Jackson or write in [ ] _____________________________________ John Finley is a Councilor whose term expires in 2017. Lauren Jackson is an Alternate Councilor who is running for Councilor. and

Vote for 1 Alternate Councilor for the 2018 - 2020 term (or write in your own candidate) [ ] Keith Cadwallader

or write in [ ] _____________________________________ Keith Cadwallader is an Alternate Councilor whose term expires in 2017.

----------------------------------------- fold down & tape --------------------------------------------

member signature

__________________

affix stamp

member printed name

__________________

to Michael H. Tunick USDA-ERRC 600 E. Mermaid Lane Wyndmoor PA 19038

AGFD Cornucopia Fall 2017 7 INSIDE THE BELTWAY 1 2 3 4 5 6 7 8 9 10 11

12 13 14 15 16

17 18 19 20

A prize to the first send 21 22 23 24

a correct solution to Carl Frey 25 26 27 28 29

(via smartphone photo/e-mail) to - 30 31 32 33 34 35 36 37 38

cfreyenterprise@gmail.com 39 40 41 42 43 44

45 46 47 48

Congratulations to the first to 49 50 51 52

submit a correct solution of the 53 54 55 56 57 58

Spring 2017 crossword - 59 60 61 62 63 64

Maddie Barnett of Texas Christian U. 65 66 67 68 69 70 71 72

73 74 75 76

Kudos to another solver - 77 78 79 80

Emily Cooper of Duquesne U. 81 82 83

ACROSS 46 river bordering DC SE DOWN 1 chipmaker (w/39 Across) 48 white pigment: -- O2 1 see 35 Across 41 pigeon talk 6 I smell ---- 49 -- bill or -- tract 2 red corundum gemstone 43 religiously reverent 10 -- Mice and Men 50 ovum 3 blue-labeled cigar message 46 a writer with morals 12 exterior 51 winning Olympic skater 4 high school years 47 short of cash or confidence 13 Lady ---- 52 fate 5 hockey great Bobby --- 52 ancestry 14 use a rotary phone 53 sorry, my mistake! 6 Petri dish gel layer 54 refreshing colas 17 Naval -----------, the US 55 ‘Web’ writer: -- White 7 evaluated, as a movie 56 aroma of the unwashed VP’s official residence 57 Hey, I’m talking to --- ! 8 in the past 60 org. for teachers 20 pro 2nd amendment org. 58 winners 9 temporary roof cover 62 livestock marking 21 actress: ---- Cannon 59 element used in red lights 10 medicate to excess 64 a tree w/leaves that quake 22 anger 61 -- GYN 11 limited 65 org. for narcs 23 dangers 63 --- Diego or --- Francisco 15 neighborhood west of DC 66 tears or criticizes 25 ‘Be Prepared’ org. 65 smartly dressed 16 --- Cruces or --- Vegas 68 ‘My Way’ composer 27 home of 31 Down 67 Aires the --- 18 III + III 69 OR and ER worker 29 deep space listeners 70 cook on a hot surface 19 affirmative 71 tennis player with an 30 John --- Lennon 73 transports in Chicago 24 ----- Wreck or ----- Car unreturnable serve 32 scram! 74 the Smithsonian’s most 26 getting older, like wine 72 corporate move 35 ACS -- & (1 Down) Div. popular museum 28 alkaline earth of bones 75 --- Grande or --- de Janeiro 37 Hawaiian goose 77 most populous continent 30 prefix meaning ‘a few’ 76 --- Loves You 39 see 1 Across 79 The ---- Panther 31 formerly the Expos (Yeah, Yeah, Yeah) 40 PC alternative 80 philosopher Georg WF----- 33 PR office concern 78 ~1% of earth’s atmosphere 42 choose 81 last year of HS 34 companion of Tic & Toe 44 Chevy maker 82 Pepsi or Mtn Dew 36 haven’t any 45 -- Had to Be You 83 start of year in Mexico 38 sends out

8 Cornucopia Fall 2017 AGFD

AGFD DIVISION MEMBERSHIP APPLICATION

The Agricultural and Food Chemistry Division (AGFD) of the American Chemical Society (ACS) is a non-profit organization dedicated to the technical advancement of all aspects of agricultural and food chemistry. AGFD encourages technical advancement in the field by - - organizing symposia/workshops on agricultural/food chemistry at ACS national meetings and other venues - publishing proceedings of AGFD symposia - publishing the Cornucopia newsletter - hosting social and networking gatherings at ACS national meetings - providing cash awards and recognition to leading undergraduate and graduate students, young scientists and established scientists in the field of agricultural and food chemistry

Join the 2500 members of AGFD. At ACS National Meetings you can meet and discuss division activities at the AGFD Information table located near the AGFD technical session rooms. Join us via the membership application form (below) or on-line at www.acs.org (click on Membership & Networks, Technical Divisions, Join a Technical Division) or call ACS (800)333-9511 (in US) or 616-447-3776 (outside US). Payment by Visa/Master Card or AmEx.

APPLICATION FOR AGFD DIVISION MEMBERSHIP (7623P)

Title Name

1st address line 2nd address line

City State

Zip code Country

e-mail address Phone

check one

MEMBERSHIP FEE

[ ] I am an ACS member and wish to join AGFD ($10.00)

[ ] I am not an ACS member and wish to join AGFD ($15.00)

[ ] I am a full time student and wish to join AGFD ($10.00)

Be cool J O I N A G F D

Return application, with payment (payable to American Chemical Society), to AGFD Membership Chair:

Dr. Lucy Yu University of Maryland

Department of Nutrition & Food Science, 3303 Marie Mount Hall

College Park MD 20742

AGFD Cornucopia Fall 2017 9

AGFD OFFICERS & COMMITTEE LEADERSHIP Chair - Serves 1 year. Presides over Division meetings & appoints committees Navindra Seeram University of Rhode Island 7 Greenhouse Road Kingston RI 02881 401-874-9367, nseeram@uri.edu Chair-Elect - Serves 1 year. Substitutes for the chair as needed Brian Guthrie Cargill Food System Design 2301 Crosby Road Wayzata MN 53391 952-742-3983 brian_guthrie@cargill.com Vice-Chair - Serves 1 year. Assists Chair-elect. Develops future technical programs. Xuetong Fan USDA-ARS Eastern Regional Research Center 600 E. Mermaid La. Wyndmoor PA 19038 215-836-3785, xuetong.fan@ars.usda.gov Secretary - Responsible for Division correspondence and meeting minutes. Michael Tunick USDA-ARS Eastern Regional Research Center 600 E. Mermaid La. Wyndmoor PA 19038 215-233-6454 michael.tunick@ars.usda.gov Treasurer - Responsible for Division finances. Stephen Toth International Flavors & Fragrances R&D 1515 Hwy. 36 Union Beach NJ 07735 732-335-2772 stephen.toth@iff.com Cornucopia Editor - Edits newsletter. Carl Frey cfreyenterprise@gmail.com 203-918-6007 Councilors - Represent Division for 3 years on ACS council. Michael Appell (thru ’19) michael.appell@ars.usda.gov John Finley (thru ‘17) jfinle5@lsu.edu Michael Morello (thru ’17) mjmorello226@gmail.com Agnes Rimando (thru ‘18) agnes.rimando@ars.usda.gov

Alternate Councilors - Substitute when Councilors can not attend Council meetings. Serves 3 years. Charles Brine (thru ‘18) brinec11@verizon.net Keith Cadwallader (thru ’17) cadwlldr@uiuc.edu Lauren Jackson (thru ’19) lauren.jackson@fda.hhs.gov Alyson Mitchell (thru ’19) aemitchell@ucdavis.edu At-Large Executive Committee Members - Assist managing Division. Serves 3 years. Terry Acree (thru ‘18) tea2@cornell.edu Jane Leland (thru ‘17) JaneLeland@ameritech.net Robert McGorrin (thru ‘17) robert.mcgorrin@oregonstate.edu Mathias Sucan (thru ‘18) mksucan@pfizer.com Awards Committee - Solicits nominations, oversees awards process. Chair Michael Morello Mjmorello226@gmail.com Student Awards Chi-Tang Ho ho@aesop.rutgers.edu Fellow Awards Fereidoon Shahidi fshahidi@mun.ca Canvassing Stephen Toth stephen.toth@iff.com Finance - Monitors the Division’s finances for 1 year. Filled by Immediate Past Chair Bosoon Park, bosoon.park@ars.usda.gov Hospitality - Organizes receptions and banquets. Charles Brine brinec11@verizon.net Membership - Recruits and retains Division members. Lucy Yu lyu5@umd.edu Multidisciplinary Program Planning helps coordinate nat’l mtg programming John Finley jfinle5@lsu.edu Nominations - Develops officer slate Served by Immediate Past Chair. Bosoon Park, bosoon.park@ars.usda.gov Public Relations - Publicizes Division. Charles Brine - brinec11@verizon.net

Web Master - Maintains web site. Michael Appell michael.appell@ars.usda.gov Sub-divisions Develop symposia. Flavor Chair, Ryan Elias elias@psu.edu Chair-Elect, Julie Anne Grover JulieAnne.Grover@Kraftfoods.com Vice-Chair, Elizabeth Kreger Liz.Kreger@adm.com Secretary, Tony Shao tony.shao@pepsico.com 2018 Secretary, GK Jayaprakasha gkjp@tamu.edu Functional Foods & Natural Products Chair, Mathias Sucan mathias.sucan@pfizer.com Chair-Elect, Kwang-Geun Lee kwglee@dongguk.edu Vice Chair, Hyang-Sook Chun hschun@cau.ac.kr Secretary, Hang Ma hang_ma@uri.edu Biotechnology Chair, Rashmi Tiwari rashmi.tiwari@pepsico.com Chair Elect, Nitin Nitin nnitin@ucdavis.edu Vice Chair, John Finley, jfinle5@lsu.edu Secretary, Nutrition Chair, Indika Edirisinghe iedirisi@iit.edu Chair-Elect, Luke Howard lukeh@uark.edu Vice Chair, LinShu Liu linshu.liu@ars.usda.gov Secretary, Youngmok Kim ykim@synergytaste.com Food Safety Chair, Bosoon Park, bosoon.park@ars.usda.gov Chair-Elect, Alyson Mitchell, aemitchell@ucdavis.edu Vice Chair, Michael Granvogl michael.granvogl@tum.de Secretary Xiaohua He, xiaohua.he@ars.usda.gov 2018 Secretary, Juhong Chen juhong@cornell.edu

10 Cornucopia Fall 2017 AGFD

AWARD NEWS

J. Bruce German received the 2017 Kenneth A. Spencer Award for Outstanding Achievement in Agricultural and Food Chemistry. The award is given by the Kansas City Section of the ACS. The Spencer Award, the most prestigious ACS award recognizing advancements in agricultural and food chemistry is the latest of the numerous awards he has received for his work on the health impacts of dietary fats and milk. He is currently a Professor of Food Science and Technology at the Univeristy of California, Davis. John A. Pickett has won the 2017 Sterling B. Hendricks Award for Outstanding Achievement in Agricultural and Food Chemistry. The award will be presented at a lecture co-sponsored by the AGFD and AGRO divisions of the ACS at the ACS National Meeting in Washington for his work on the chemistry of plant-insect interactions, integrated pest management and chemical ecology. He is currently a Directorate at Rothamsted Research, UK. Ron Wrolstad has won the 2017 Award for the Advancement of Application of Agricultural and Food Chemistry. This award recognizes outstanding contributions to pure and applied agricultural and food chemistry. The award presentation will take place at the AGFD banquet at the 2017 Fall ACS National Meeting and celebrates his career of research on correlation of natural chemical components, especially color components of foods, with food quality. He is a Distinguished Professor Emeritus of Food Science and Technology at Oregon State University. Hang Xiao of the University of Massachusetts and Andrea Buettner of the University of Erlangen-Nuremberg in Germany received AGFD Fellow Awards for 2017. The AGFD Fellow Award recognizes outstanding scientific contributions to the field of agricultural and food chemistry. Steven O. Duke of the USDA-ARS and Alyson Mitchell of UC Davis received 2017 ACS Fellow Awards. The award recognizes individuals that impact agricultural and food chemistry through their excellence in leadership, mangement, teaching, research and volunteer service. Tianxi Yang of the University of Massachusetts received the 2017 Roy Teranishi Graduate Fellowship in Food Chemistry. This honor goes to a beginning graduate student with an outstanding graduate GPA who shows promise of an excellent research career. Jingjing Guo of Rutgers University won the 2017 Withycombe–Charalambous Award for Excellence in Graduate Research in Agricultural or Food Chemistry. She presented a paper at the Spring 2017 ACS National Meeting in San Francisco describing her work on the prevention of obesity and type-2 diabetes with aged citrus peel extract. Marti Hua of the University of British Columbia won the 2017 AGFD Undergraduate Student Award for work on cytotoxicity of tert-butyl hydroquinone.

AGFD congratulates all these awardees and looks forward to their continued successes and contributions.

AGFD Cornucopia Fall 2017 11

Executive Committee Meeting Minutes Monday, April 3, 2017 Hilton Union Square, San Francisco, CA

Takes place at each ACS National Meeting

Attendees: Terry Acree, Michael Appell, Kathryn Deibler (on phone), Indika Edirisinghe, Xiaohua He, Xuetong Fan, John Finley, Brian Guthrie, Eckhard Hellmuth, Lauren Jackson, Hang Ma, Alyson Mitchell, Michael Morello, Bosoon Park, Bhimu Patil, Agnes Rimando, Navindra Seeram, Tony Shao, Stephen Toth, Michael Tunick, Wally Yokoyama

AGFD Chair Navindra Seeram called the meeting to order at 5:00 p.m. Those present introduced themselves. The minutes of the previous meeting were approved with no changes. Stephen Toth gave the Treasurer’s Report. The total assets for the division are $643,700. Our major revenue

sources for the first three months of 2017 were the ACS allotment ($26,000) and dues ($10,750). The worst performer of our seven investments was cashed in. The total expenses for the Philadelphia meeting amounted to $28,650, with no high costs. Over the last three years, expenses were higher for meetings in San Francisco, San Diego, and Boston. The cost to the division for the poster session with refreshments, which was in a separate room in Philadelphia, was $2170. We shared with other divisions in a huge room at this meeting, which did not lead to the desired intimate atmosphere. John Finley suggested inviting other divisions such as AGRO and ANYL to our poster night. The net cost of the banquet at Drexel University was only $2900.

Brian Guthrie reported that the San Francisco AGFD Program has 14 symposia and 31 sessions. The total

attendance is over 18,000. We expect an estimated cost of $43,000 for Washington, DC in the fall (theme: Chemistry’s Impact on the Global Economy). This budget was passed. We are trying for more symposia to fit the theme in New Orleans (The Food, Energy, Water Nexus, March 2018). Navindra reported for Michael Qian that first International Flavor and Fragrance Conference will held in Cartagena, Columbia on May 10-12, 2017. They have 50 abstracts and 90 registrants so far, mostly from South America.

In Subdivision reports, Flavor Secretary Tony Shao said that they have a symposium proposed for 2018. They

are trying for external funds. Functional Foods and Natural Products Secretary Hang Ma said they will try to increase their profile at local and regional meetings. John Finley reported for Biotechnology Chair Rashmi Tawari, stating that they have a symposium scheduled for the Boston meeting. Nutrition Chair Indika Edirisinghe also reported that his subdivision is planning a symposium. Food Safety Chair Bosoon Park said that they have a symposium at this meeting and will have two in Washington, DC.

Mike Appell, John Finley, Mike Morello, and Agnes Rimando gave the Councilor’s Report. Mike Appell reported on a number of issues. Divisions for Space Chemistry and for Materials Chemistry have been proposed for next year, though negotiations are continuing. John said that the Space Division people need to be more organized and that Materials wants to feed off of other divisions, similar to Secretariats. Mike Morello pointed out that joining ACS online kicks the person out of the system before a division membership can be chosen, and that there will be division tables at Sci-Mix in Washington. He also said that many divisions support dropping Thursday programming, but the increase in symposia would create the need for more room on the other days, which would increase costs. The money required for audio-visual needs is over $18,000 at this meeting. John and Mike Appell are on the Divisional Activities Committee, where there are thoughts about having an atmosphere in technical divisions similar to that at Gordon Conferences. They pointed out that AGFD participated in the pilot business planning workshop. Agnes Rimando is on the International Activities Committee, and reported that there are now 19 international chapters, which are looking for more recognition.

There have been recommendations to move the March 2021 meeting out of San Antonio because of the

“bathroom bill” Texas is considering. INOR is not going to program there if the bill is passed, and other divisions are considering the same. ACS has guaranteed millions of dollars to be there, and would lose it if the meeting is moved.

Immediate Past Chair Bosoon Park gave the Nominations report. The Councilor terms of John Finley and

continues on next page

12 Cornucopia Fall 2017 AGFD continued from previous page

Mike Morello will expire at the end of the year. John will run again and Mike will not. Lauren Jackson will run for Councilor, which would leave her Alternate Councilor position open. According to the AGFD bylaws, the vacancy may be filled until the next annual election by appointment by the Executive Committee. Keith Cadwallader’s term as Alternate Councilor expires at the end of the year and he will run again. This slate was approved. The At-Large Executive Committee terms of Robert McGorrin and Jane Leland also expire on December 31; Bob will continue but we are not yet sure about Jane.

Awards Committee Chair Mike Morello said that five people were nominated for the Award for the

Advancement of Application of Agricultural and Food Chemistry, and that Ron Wrolstad won. The procedure from here on will be to notify the winner and then the Secretary so that the Executive Committee can be emailed for approval. Then the award symposium would be organized. The AGFD Fellow Awards have not been chosen yet. Navindra reported for Chi-Tang Ho that the Roy Teranishi Graduate Fellowship in Food Chemistry went to Tianxi Yang, University of Massachusetts. The winners of the student competitions will be announced at the reception (the AGFD Undergraduate Award winner was Marti Hua, University of British Columbia and the Withycombe–Charalambous Award for Excellence in Graduate Research in Agricultural or Food Chemistry went to Jingjing Guo, Rutgers University). Mike Tunick reported that the Sterling Hendricks Award will go to John A. Pickett, Rothamsted Research, UK. Kathryn Deibler, Mike Morello, and Agnes Rimando had met earlier about restructuring student award symposia, which have had poor attendance and low returns on investment. They proposed changing both symposia to posters only. After discussion, it was decided to keep the Graduate Award as oral presentations (possibly integrated with the General Session to increase attendance) and shifting the Undergraduate Award to posters. The undergrads may be required to state why they want to be in the AGFD program. Kathryn also proposed that the AGFD Young Scientist Award revert to the earlier format of selecting one winner. This person would receive up to $1000 for travel expenses. This talk is now in the Journal award symposium and would remain there. A motion to approve the change was passed.

Eckhard Hellmuth reported that the Kenneth Spencer Award was won by J. Bruce German, who will have a symposium at the spring meeting. Our nominees for ACS Fellow Awards are Thomas Hofmann, Lucy Yu, and Alyson Mitchell. Bosoon Park, Agnes Rimando, and Lauren Jackson, respectively, are championing these nominations. Mike Morello nominated Russell Rouseff for the Award for Distinguished Service to the Division of Agricultural and Food Chemistry, and he was approved.

Agnes Rimando gave a recommendation from the Strategic Planning Meeting. Instead of an automatic $1000 allocation for each symposium session, it would be better to allocate $500 with extra money to be provided for extras such as new topic ideas or a symposium series book. She also suggested one symposium for all awards.

Cornucopia editor Carl Frey sent a report saying that he had fewer copies printed this time and that there was some consideration to delete the abstracts, which would save $1000 in printing costs and make the meeting greener. A motion to this effect was made and passed.

In Hospitality/Public Relations, Alyson Mitchell handled the reception arrangements for this meeting (at

Bluestem Brasserie) and volunteered to do the same in Washington.

Membership Chair Lucy Yu sent a report stating that AGFD had 2522 members as of January 31, which was a decrease over the previous year. We should try to recruit more at regional meetings, email presenters, make the membership brochure more attractive, and hand them out at the reception. We can look into an app for allowing new members to pay on site. Twenty-three members will receive 25-year pins, including Brian Guthrie and Lauren Jackson, who were recognized.

Journal Editor-in-Chief Thomas Hofmann sent a report stating that 1257 papers were published last year with

91,000 citations and 2.1 million article requests. The advisory board increased by three people. Ten won excellence in reviewing awards. Shengmin Sang won the 2015 JAFC/AGFD research article of the year award. John Finley noted that they are having trouble getting enough reviewers. continues on next page

AGFD Cornucopia Fall 2017 13 continued from previous page

In Communications, Mike Appell and Alyson Mitchell reported that everything is going well with the web site

and email blasts.

There was no Old Business. In New Business, John Finley proposed appointing a person to provide consistency in programming continuity. Mike Morello was suggested and he accepted.

Agnes Rimando reported that the first ACS Asia-Pacific International Chapters Conference will be held in Korea on November 5-8, 2017. The president of ACS will speak there. AGFD will provide some sponsorship. Two graduate students may apply for travel support; the supervisors of those students must be AGFD members. The poster session competition winner will receive $50.

Navindra Seeram said he received a request for division support for a chemistry of fermentation symposium to be held at the Southeast Regional Meeting to be held in Charlotte, NC on November 7-11. We will ask the requestor to help recruit AGFD members. $500 of support was approved.

The AGFD membership dues will remain the same for 2018: $10 for regular and student members, $15 for division affiliates (non-ACS members) and society affiliates (not eligible for ACS membership), and free for emeritus (50 years in ACS) members.

The meeting adjourned at 6:57 p.m. Submitted by Michael Tunick, AGFD Secretary

AGFD Technical Program

Note to readers – starting with the Fall 2017 issue, the printed Cornucopia that is available at the AGFD Information Table at the National Meeting is on a paper-saving ‘green’ diet and will not include Abstracts of AGFD papers. Find the AGFD Abstracts in this expanded version of the Cornucopia that is posted on

the AGFD website. The ACS website also posts all abstracts for the National Meetings. SUNDAY MORNING August 20 Convention Center Room 144B Section A From Fermentation to Fume Hood: The Chemistry of Wine financially supported by E&J Gallo, Constellation Brands, Agilent Technologies D. L. Capone, Organizer G. L. Sacks, Organizer, Presiding 8:30 1. Characterising the chemical and sensory properties of Australian rosé wines. J. Wang, D.L. Capone, J.M. Gambetta, K.L. Wilkinson, D.W. Jeffery 8:55 2. Relating chemical measurements of wine to olfactory perceptions. T.E. Acree 9:20 3. Investigations of aroma compounds and sensory profiles affected by the addition of grape leaves or stalks in a red wine fermentation. D.L. Capone, A. Barker, W. Pearson, L. Francis 9:45 4. Aromatic complexity of two premium wines revealed by gas chromatography combined to olfactometry and mass spectrometry. S. Carlin, R. Magri, C. Lotti, U. Vrhovsek, F. Mattivi 10:10 Intermission 10:30 5. Aroma-migration during the bottling of wine - combining a sensory and analytical approach. U. Fischer, J. Vestner, H. Schmarr, M. Mathes 10:55 6. Development of carotenoids and C13-norisoprenoids in Vitis vinifera L. Cv. Pinot noir grapes. F. Yuan, M.C. Qian

11:20 7. Assessing smoke taint risk based on the composition of smoke exposed grape berries and the resulting wines. T.S. Collins Food Additives & Packaging Emerging Trends in Food Ingredient Chemistry Convention Center Room 144C Section B L. T. Cureton, V. Komolprasert, Organizers D. L. Doell, R. Shah, Organizers, Presiding 8:00 Introductory Remarks 8:05 8. Stability of fish oil in cross-linked alginate microcapsules prepared by spray-drying. S.A. Strobel, B.M. Arbaugh, K.A. Hudnall, H.B. Scher, N. Nitin, T. Jeoh 8:30 9. Bioparticle-Based pesticide degradation using enzyme immobilization. P. Pourtaheri, A. Shakeel, Z. Davis, S. Zomorodi, J. Frank, M. Kester, S. Moshasha 8:55 10. Hydrogenation of soybean oil without trans-fatty acids using high voltage atmospheric cold plasma (HVACP). K. Keener, X. Yepez 9:20 11. Spectroscopic portable devices and chemometric analysis for table-top sweetener quantitation. B.J. Yakes 9:45 Intermission 10:00 12. MCPD- and glycidyl-esters in palm oil: Mechanisms of formation and opportunities for effective mitigation. B.D. Craft, F. Destaillats, K. Nagy

10:25 13. Acrylamide in food: Formation, analysis and exposure assessment. L. Jackson 10:50 14. Assessment of dietary exposure to 4-methylimidazole (4-MEI) for the U.S. population based on quantitative data from foods containing caramel color. D. Folmer, D.L. Doell, H. Lee, G.O. Noonan, S.E. Carberry 11:15 15. Optimization in the production of caramel colors. C. Llewellyn 11:40 Concluding Remarks Link between Dietary Inputs, Stressors & the Gut Microbiome: Military Perspective Convention Center Room 149A Section C J. Karl, J. W. Soares, Organizers S. Arcidiacono, K. Racicot, Presiding 8:30 Introductory Remarks 8:35 16. Military-relevant stressors, diet, and the gut microbiome. J. Karl 9:10 17. Microbial endocrinology as a mechanism governing the interplay between diet, stress and the microbiome on host health and behavior. M. Lyte 9:55 Intermission 10:15 18. Bacterial metabolism of carbohydrates, dietary fiber and gut health. B. Hamaker 11:00 19. Grape proanthocyanidin-induced bloom of gut microbe Akkermansia muciniphila precedes intestinal gene expression changes associated with metabolic resilience. L. Zhang, R.N. Carmody, H. Kalariya, K. Moskal, P. Kuhn, P.J. Turnbaugh, I. Raskin, D. Roopchand 11:35 20. Influence of prebiotic fibers on gut microbiome and implications for mineral absorption and bone health. M. de Souza, L. Spence, K. Karnik, K. Canene-Adams, C.M. Weaver Recent Advances towards the Bioeconomy sponsored by CELL, cosponsored by AGFD, CARB, ENFL, ENVR location: Grand Hyatt Washington Penn Quarter A/B Green Polymer Chemistry: Biobased Materials & Biocatalysis Biobased Materials: Industrial Perspectives sponsored by POLY, cosponsored by AGFD, CELL, PMSE location: Marriott Marquis Ballroon Salon 8 SUNDAY AFTERNOON August 20 Convention Center Room 144B Section A From Fermentation to Fume Hood: The Chemistry of Wine Polyphenolics & Wine Macromolecules financially supported by E&J Gallo, Constellation Brands, Agilent Technologies G. L. Sacks, Organizer D. L. Capone, Organizer, Presiding 1:30 21. Tannin reacts with SO2 during aging, yielding newly discovered flavan-3-ol sulfonates in wine. A.L. Waterhouse, L. Ma, B. Addison, A.A. Watrelot

1:55 22. Mechanism of anthocyanin extraction during red wine fermentation. A. Oberholster, C. Medina Plaza, J. Beaver, L.A. Lerno, R. Ponangi, T. Blair, D.E. Block 2:20 23. High resolution mass spectrometry approaches to characterize wine polyphenols. V. Cheynier 2:45 24. Cap on red wine macromolecules? Updates on how winemaking interventions influence tannin and polysaccharide composition in Shiraz wines. K. Bindon, S. Kassara, C. Curtin, S. Li, J. Hixson, B. Teng, K. Wilkinson, P. Smith 3:10 Intermission 3:30 25. Structural studies on three Vitis vinifera thaumatin-like proteins and their hazing potential in white wines. M. Marangon, S.C. Van Sluyter, E.J. Waters, R.I. Menz 3:55 26. Soluble cell wall polysaccharides and their relationship with wine mouthfeel and taste. H. Chong, M.T. Cleary, N. Dokoozlian, C. Ford, G. Fincher 4:20 27. Integrated approach to managing alcohol levels in wine while maintaining quality and style. R. Ristic, O. Schelezki, A. Hranilovic, S. Li, D. Pham, D. Wollan, K. Bindon, P. Boss, V. Stockdale, D.W. Jeffery, V. Jiranek, K. Wilkinson Food Additives & Packaging Analytical Challenges in Food Chemistry Convention Center Room 144C Section B L. T. Cureton, V. Komolprasert, Organizers D. L. Doell, R. Shah, Organizers, Presiding 1:00 Introductory Remarks 1:05 28. Determination of seven certified color additives in food products marketed in the United States. E. Miranda-Bermudez, B. Petigara Harp 1:30 29. Development of a specification method to determine unreacted raw materials, products of side reactions, and subsidiary colors in color additives using high-performance liquid chromatography. C. Tatebe, H. Kubota, A. Tada, K. Sato 1:55 30. Determination of color adulteration of green table olives by copper salts. B. Petigara Harp, P. Delmonte, P. Gray, P.F. Scholl, T. Todorov 2:20 31. Arsenic speciation method development for various food matrices. K. Laurvick 2:45 Intermission 3:00 32. Novel method for the simultaneous determination of 14 sweeteners of regulatory interest using UHPLC-MS/MS. R. Shah 3:25 33. Method development and validation for the composition of galactooligosaccharides. L. Chen, L. Liu, K. Laurvick, W. Wang 3:50 34. Development and validation of an LC-MS/MS method for the determination of sulfite in food and beverages. K. Carlos, L. Dejager 4:15 35. Development of a HPLC/PDA method for quantitative analysis of food components without the need for analytical standards. Y. Nishizaki, N. Sugimoto, K. Sato 4:40 Concluding Remarks

Link between Dietary Inputs, Stressors & the Gut Microbiome: Military Perspective Convention Center Room 149A Section C S. Arcidiacono, K. Racicot, Organizers J. Karl, J. W. Soares, Organizers, Presiding 1:30 Introductory Remarks 1:35 36. In vitro fermentation to understand healthy and stressed gut microbiome metabolism. S. Arcidiacono, L. Doherty, I. Pantoja-Feliciano, K. Kensil, K. Racicot, J.W. Soares 2:10 37. Human gut microbiota modulation by prebiotics. G. Gibson 2:55 Intermission 3:15 38. The effect of sleep on the host metabolome. F. Vargas, C. Depner, A.G. Peña, R. Knight, K. Wright, P.C. Dorrestein 3:50 39. FitBiomics: Understanding elite microbiomes for performance and recovery applications. J. Scheiman 4:25 Concluding Remarks Entrepreneurs in the Agriculture & Food Industries cosponsored by SCHB Convention Center Room 149B Section D K. Goodner, J. E. Sabol, Organizers, Presiding 1:30 Introductory Remarks 1:45 40. Withdrawn 2:15 41. Inventor or entrepreneur...Did you know there was a difference?. K.M. Bazemore, R.A. Bazemore 2:45 42. Gallery of rogues: How I found myself as a part of craft distilling’s vanguard. M. Strickland 3:15 43. Grow your own - for fun and profit. J. Sabol 3:45 44. Chickpea Institute: Engaging stakeholders in the agriculture and food industries. J. Sum 4:15 Panel Discussion. Recent Advances towards the Bioeconomy sponsored by CELL, cosponsored by AGFD, CARB, ENFL ENVR location: Grand Hyatt Washington Penn Quarter A/B Preparing for Employment in a Global Workforce sponsored by IAC, cosponsored by AGFD, PROF location: Marroitt Marquis George Washington Room Green Polymer Chemistry: Biobased Materials & Biocatalysis Developments in Biocatalysts sponsored by POLY, cosponsored by AGFD, CELL, PMSE location: Marriott Marquis Ballroon Salon 8 SUNDAY EVENING 5:00 - 7:00 PM August 20 Convention Center Hall C Section A General Posters B. D. Guthrie, Organizer 45. Spectroscopic and time-dependent density functional theory investigation of the photophysical properties of zearalenone and its analogs. M. Appell, W. Bosma 46. Evaluation of antioxidant and anticancer activities of Psidium guajava component kamepferol. J. Su, H. Hu, P. Wu 47. Isoquercitrin induced metabolism disorders in cancer cells by activating the AMP-activated protein kinase pathway. J. Su, P. Wu, R. Zhang

48. Study on the antioxidant, bacteriostatic and antitumor acitivities of chili seed oil. Y. Wang, B. Liu, X. Wen, M. Li, K. Wang, Y. Ni 49. Measuring the value of prebiotic fibers on gut health via innovative gut model. S.E. Butler, M. de Souza, A. Hoffman, L. Spence, K. Karnik, K. Canene-Adams, M. Marzorati 50. Modeling the human gut microbiome through in vitro fermentation. L. Doherty, I. Pantoja-Feliciano, S. Arcidiacono, K. Kensil, K. Racicot, J. Soares 51. Validation of size exclusion separation following in-vitro digestion to simulate absorption. K.R. Conca, K. Kensil 52. Inhibitory effect of adlay oil nanoemulsion on melanin production in B16F10 melanoma cells and zebrafish. H. Yin Ting, Y. Ting 53. Non-thermal plasma enhanced germination and higher gamma-aminobutyric acid (GABA) concentration in brown rice. P. Chou, S. Shen, J. Wu, K. Cheng, Y. Ting 54. Nano-delivery system for bioactive ingredients using different methods: Structure and release behaviors. S. Wenbei 55. Evaluation of estrogenic activity of the novel bisphenol-A alternative, four bisguaiacol-F compounds. Y. Peng, C. Wu, K. Reno, M. Guo 56. Sample preparation and analysis of di- and tetra-brominated C18 triacylglycerides (TAG-Br2 and TAG-Br4) in various rat tissues. K. Woodling, G. Gamboa da Costa 57. Metabolomic analysis of commercial cranberry supplements. J. Turbitt, C.C. Neto, K. Colson 58. Mechanistic analysis of arylalkylamine N-acyltransferases in Tribolium castaneum: A possible target to control crop destruction caused by the red flour beetle. B. O'Flynn, D.J. Merkler 59. Metabolomic analysis and variation in phytochemical composition among North American cranberry cultivars. L. Xue, A. Milstead, K. Colson, C.C. Neto 60. Comparison of dissipation ratio between metconazole and myclobutanil in dropwort. S. Hong, J. Hwang, S. Lee, S. Kwak, M. Kang, J. Kang, J. Ryu, K. Kyung, J. Kim 61. Characterisation of bioactive grape and wine metabolites through a combined organic, analytical and computational approach. S. Tan, D. Barker, B. Fedrizzi 62. Withdrawn 63. Assessing the stability of lutein in model food systems supplemented with spinach powder. K. Kensil, K.R. Conca 64. Comparative metabolite profiling of Solanum lycopersicum leaves exposed to herbivore damage and the phytohormone jasmonic acid. M. Cohen, J. Smith, A.E. Witter 65. Utilization of crop residue processing factor compilations for human safety assessment residue data strategy development. C.K. Kingston 66. Further characterization of IBU calculators using additional OG worts. N.O. Flynn, J. Welbaum

67. Formation of savory flavors through reaction flavor system in the enzymatic hydrolysate of soy sauce residue and defatted soybean. Y. Cha, W. Wang 68. Laboratory kitchen sink: Determining appropriate internal standards for HS-SPME-GC-MS volatile profiling in plant mapping populations using post hoc evaluations. E.A. Burzynski, B.I. Reisch, G.L. Sacks 69. Production of seasoning flavors in the hydrolysate of soy sauce residue using reaction flavor technology. Y. Cha, W. Wang 70. Atmospheric cold plasma causing chemical and physical changes on ginseng surface increasing yield of ginsenosides extraction. R. Wang, Y. Ting 71. Cold Plasma pretreatment modified the chemical properties of grape surface: Enhancing the drying rate and final raisin quality. C. Huang, J. Wu, Y. Ting 72. Protein-based food models developed to assess formulations for losses in amino acids due to protein crosslinking during storage. K.R. Conca, K. Kensil 73. Increasing the solubility of meat and bone meal protein for potential flocculant applications. R.M. Marsico 74. Mechanistic studies of protein tyrosine kinase activation by heavy metal ions. Y. Ahmadibeni, S. Guha 75. Separation of iron from egg yolk by aqueous extraction of phosvitin or ethylenediaminetetraacetic acid (EDTA) treatment. J. Ren, J. Wu 76. Risk assessment of food additives and packaging. H.E. Dover, M.P. Holsapple, S.E. Selke 77. Analysis of flame retardants: A survey of food contact materials. R. Paseiro Cerrato, L.K. Ackerman, L. Dejager, T. Begley 78. Effects of high pressure processing on chemical migration in PET. Y.S. Song, J.L. Koontz, Y. Zhou, K. Pillai, J. Ding 79. Fatty acids contents and expanded uncertainty of infant formulas by gas chromatography. D. Seo, J. Hwang, S. Kim, B. Kim, J. Lee 80. Contents of macro- and micro-minerals in infant formulas by ICP-OES and ICP-MS. D. Seo, J. Hwang, S. Kim, J. Park, H. Lee, B. Kim, J. Lee 81. LC-MS analysis of antioxidant polymer additives exposed to low dose gamma irradiation. M.D. Celiz, K.M. Morehouse, L. Dejager, T. Begley 82. Acidity adjustments, tartrate formation, and oxidative stability of wines treated with cation exchange resins. V. Laurie, F. Ponce, C. Adriazola, Y. Mirabal-Gallardo 83. Preparation of amorphous starch using ultra high pressure and ethanol process and observation of internal structure. J. Lee, B. Kim, M. Baik 84. Converting used tea leaf into active antimicrobial films using electrospinning method. R. Peng, Y. Ting 85. Investigation of antibiotic susceptibility, class 1 integron and biofilm formation ability on Salmonella spp., Escherichia coli and Staphylococcus aureus from various foods in South China. J. Su, W. Wang, H. Hu 86. Use of chemical ontology in the evaluation of food ingredients and packaging at the FDA. D.M. Schmit, T. Page 87. US FDA’s food additive knowledgebase and cheminformatics platform: Chemical evaluation and risk

estimation system. P. Volarath, L. Holt, T. Deng, M. Garg, D. Mehta, K. Arvidson 88. Using sniff olfactometry to measure olfactory latency. C. Albietz, T.E. Acree 89. Using sniff olfactometry to study Sauvignon Blanc odorant interactions. X. Zheng, C. Maxe, T.E. Acree 90. Eriocitrin attenuates high-fat diet induced disturbances in C57BL/6J mice. P.S. Ferreira, M. Nery, J.A. Manthey, T.B. Cesar MONDAY MORNING August 21 Convention Center Room 149A Section A From Fermentation to Fume Hood: The Chemistry of Wine Authentication, Omics Approach & Sulfur-Compounds financially supported by E&J Gallo, Constellation Brands, Agilent Technologies G. L. Sacks, Organizer D. L. Capone, Organizer, Presiding 8:30 91. Metabolomics tools for the analysis of non-volatile polyphenols in grapes, wine and humans. M. Herderich, V. Hysenaj, J. Fernandes, C. Stockley, N. Lloyd 8:55 92. Chemo-diversity in monoterpene enantiomers from Riesling wines from different regions and wine styles. M. Song, M.C. Qian, C. Fuentes, E. Tomasino 9:20 93. Regional chemical characteristics of Sangiovese wines from Italy and California. V. Canuti, S. Frost, L.A. Lerno, J. Zweigenbaum, S.E. Ebeler 9:45 94. Global lipidomics profiling of grapes identifies lipidomics signatures discriminating between grape genotypes. V. Shulaev, K. Zaman, M. Ghaste, G. Chitarrini, S. Grando, M. Stefanini, U. Vrhovsek, F. Mattivi 10:10 Intermission 10:30 95. Varietal thiols origins in wine: A review on their liberation mechanisms from the precursors present in grapes and musts. R. Schneider 10:55 96. Rethinking re-stinking: A critical evaluation of hypotheses for formation of sulfurous off aromas during wine storage. G.L. Sacks, G. Kreitman, R. Elias, D.W. Jeffery 11:20 97. Potential strategies for preventing copper mediated reductive aroma in post-bottle wines. L. Vernarelli, G. Kreitman, R. Elias Food Additives & Packaging Global Challenges to Regulating Food Packaging Convention Center Room 149B Section B L. T. Cureton, D. L. Doell, R. Shah, Organizers V. Komolprasert, Organizer, Presiding L. Cureton, Presiding 8:00 Introductory Remarks 8:05 98. Comparison of the major regulatory systems for food contact materials. D. Hill 8:30 99. Unpacking food packaging controversies. E. Greenberg 8:55 100. Are the color additives in your inks or coatings in compliance with food contact regulations?. N.H. Mady 9:20 101. Use of recycled plastics for food packaging in Thailand. C. Pattanakul

9:45 102. Safer food packaging: What we have learned and where we have come. M. Cheeseman 10:10 Intermission 10:25 103. Using analytical tools to assess compliance with the purity requirements in global food-contact regulations. P.N. Coneski 10:50 104. Using national biomonitoring data to understand the contribution of dietary sources to human exposures of phthalates, bisphenol A, and polyfluoroalkyl substances. A.R. Zota 11:15 105. Estimation of partition coefficients between polyolefins and water, and food simulants using the vapor pressure index method. L.L. Baner, O. Piringer 11:35 106. Performance evaluation for the analytical methods of metals in food contact materials. Y. Abe, M. Mutsuga, K. Sato 11:55 Concluding Remarks Food Safety & Labeling: Food & Flavor Regulations, Progress & Challenges in the Pursuit to Serve the Consumer Food & Flavor Regulations, Accurate Labeling cosponsored by PROF O. Burleson, M. Guentert, L. Jackson, Organizers D. K. Weerasinghe, Organizer, Presiding C. Frey, Presiding Convention Center Room 144C Section C 8:30 Introductory Remarks 8:45 107. New nutrition facts panel. K. Wingfield 9:15 108. Total and individual sugar content of top contributors of commercially processed foods with added sugars in the U.S. Y. Li, J. Ahuja 9:45 109. FDA’s added sugars labeling regulation – the not so sweet treat. B. Silverglade 10:15 Intermission 10:30 110. P-GMO and organic food effects on animal metabolic health. F.M. Assadi-Porter, E. Selen-Alpergin, W. Porter 11:00 111. How the Food Chemicals Codex evolves to ensure the safety of the food supply. C. Frey 11:30 112. What’s a natural and clean label?. D.K. Weerasinghe Impact of Carbonyl & Glycative Stress on Diabetic & Aging Related Diseases cosponsored by BIOL Convention Center Room 144B Section D C. Ho, S. Sang, Organizers L. Lv, Presiding 8:30 Introductory Remarks 8:35 113. Reactive carbonlyl species from the oxidation of omega-3 and omega-6 fatty acids and method for their intervention. C. Ho, Y. Wang 9:00 114. Phenolic-type reactive carbonyl scavengers as inhibitors against the formation of advanced glycation end products (AGEs) and AGEs-induced endothelial cell apoptosis and inflammation. M. Wang, Q. Zhou 9:25 115. Essential structural requirements and additive effects for dietary polyphenols to scavenge methylglyoxal. Y. Zhu, Q. Huang, P. Wang, L. Lv, S. Sang 9:50 116. Influence of quercetin and its methylglyoxal adducts on the formation of α-dicarbonyl compounds in lysine and glucose model system. L. Lv

10:15 Intermission 10:30 117. Withdrawn 10:55 118. Studies on inhibition mechanism of advanced glycation end products by resveratrol in intermediate moisture protein-Sugar Foods. Z. Sheng, B. Ai, L. Zheng, X. Zheng, F. Tang, Z. Xu 11:20 119. Trapping of acrolein by dietary flavonoids. Q. Huang, Y. Zhu, P. Wang, S. Zhang, L. Lv, S. Sang 11:45 Concluding Remarks Green Polymer Chemistry: Biobased Materials & Biocatalysis Chemical Catalytic Routes to Biobased Materials sponsored by POLY, cosponsored by AGFD, CELL, PMSE location: Marriott Marquis Ballroon Salon 8 MONDAY AFTERNOON August 21 Convention Center Room 149A Section A General Papers B. D. Guthrie, Organizer H. Ma, Presiding 1:30 Introductory Remarks 1:35 120. High yield/quality of net proteins, lipids, and antioxidants extracted through fractionation/one step chemical method. T. Chavez-Gil 1:55 121. Withdrawn 2:15 122. Concurrent production of plant protein- and carbohydrate-enriched fractions by a dry triboelectrification-based approach. S. Tabtabaei, A.R. Rajabzadeh, R.L. Legge 2:35 123. Development of a green procedure with ultrasound improved supercritical CO2 to produce extracts enriched in rosmarinic acid from Perilla frutescens and determination of its fictitious solubility. M. Wei, P. Lin , D. Wei, J. Chen , K. Chen , Y. Yang 2:55 Intermission 3:15 124. Extracellular substances from biofilms produced in pure and mixed culture under conditions mimetic food processing. L. Deschenes, N. Guertin, T. Ells, T. Savard, M. Elliot, C. Lapointe, D. Chabot 3:35 125. Effect of pressure and temperature on the stability of ascorbic acid in citrus fruit juices. M.C. Azih 3:55 126. Studies on the oxidative stability of cashew nut (Anarcardium occidentale) oil. M.C. Azih 4:15 127. Comparison of analytical methods for protein level determination in foods. M.C. Azih 4:35 128. Mathematical model of methanethiol generation and degradation in anaerobic chemostats. D. Zhang, Z. Wang Food Additives & Packaging Emerging Trends in Food Packaging Convention Center Room 149B Section B L. T. Cureton, D. L. Doell, R. Shah, Organizers V. Komolprasert, Organizer, Presiding L. Cureton, Presiding 1:00 Introductory Remarks 1:05 129. Overview of beverage packaging innovations enabled by effective regulatory clearances. S.L. Mosley, J.C. Huang

1:30 130. Developing active surfaces through the implementation of nanotechnology. M. Rubino 1:55 131. Active packaging using regenerated cellulose and hydroxypropyl amylopectin for fresh food products. V. Finkenstadt, J. Xu 2:20 132. Halloysite nanotube/polyethylene nanocomposites as multifunctional active food packaging materials. C. Tas, B. Alkan, M. Baysal, F.C. Cebeci, S. Unal, Y.Z. Menceloglu, H. Unal 2:45 Intermission 3:00 133. Direct chemical characterization of retail food packaging & prints. L.K. Ackerman, K. Bentayeb, M. Lago 3:25 134. Oxygen and moisture barrier from polyelectrolyte-based nanocoatings on polymeric packaging film. J.C. Grunlan 3:50 135. High-resolution mass spectromety as a sophiscated technique for screening non-intentionally added substances (NIAS) eluted from polyetheylene terephthalate bottle. A. Yamamoto, T. Murakami, E. Kishi, M. Shizuma, A. Ozaki 4:15 136. Reactive extrusion of polylactic acid/cellulose nanocomposite films: Crystallization and thermo-mechanical studies. V. Katiyar 4:35 137. Influence of ligand chemistry on antimicrobial synergy of solid support bound metal chelators against acidophilic thermoduric bacteria. J. Herskovitz, R.W. Worobo, J.M. Goddard 4:55 Concluding Remarks Food Safety & Labeling: Food & Flavor Regulations, Progress & Challenges in the Pursuit to Serve the Consumer Food & Flavor Regulations, Accurate Labeling cosponsored by PROF Convention Center Room 144C Section C O. Burleson, L. Jackson, D. K. Weerasinghe, Organizers M. Guentert, Organizer, Presiding C. Harman, Presiding 1:00 Introductory Remarks 1:10 138. Flavors with modifying properties (FMP). M.A. Guentert 1:40 139. FEMA Expert Panel safety evaluation of flavorings with modifying properties-focus on sensory testing approaches. C. Harman 2:10 140. US regulatory authority to use flavor ingredients - flavor and food labeling implications. J. Drake 2:40 Intermission 2:55 141. Recent advances in the authenticity control of natural flavor ingredients. M. Stuertz, J. Kiefl, T. Geißler, K. Geißler, J.P. Ley, G.E. Krammer 3:25 142. Identifying the mislabeling of natural food products with carbon-14 testing. F. Goren , J. Garside Impact of Carbonyl & Glycative Stress on Diabetic & Aging Related Diseases cosponsored by BIOL Convention Center Room 144B Section D C. Ho, L. Lv, Organizers S. Sang, Presiding 1:30 Introductory Remarks

1:35 143. Dietary genistein ameliorates high-fat plus methylglyoxal-induced advanced glycation end products formation in mice. Y. Zhao, P. Wang, S. Sang 2:00 144. Analysis of glyoxal-induced DNA and protein damage in blood of diabetic patients by mass spectrometry. H.C. Chen 2:25 145. Transketolase suppresses glycolaldehyde/glyoxal mediated formation of advanced glycation endproducts. M.A. Glomb, A. Klaus, C. Henning 2:50 146. Targeted profiling: Quantitative analysis of multiple reactive carbonyl species in biological samples. P. Wang, S. Sang 3:15 Intermission 3:30 147. Inhibitory effect of black tea theaflavins on advanced glycation end product formation in the fructose-induced protein system. Y. Wang, T. Hsiao, S. Li, M. Pan, C. Ho, C.Y. Lo 3:55 148. Tetrahydroisoquinoline derivatives by reaction of dopamine with methylglyoxal: Potential neurotoxins associated with Parkinson’s disease. W. Wu, Y. Zhao, C. Ho, S. Sang 4:20 149. Neuroprotective effects of anthocyanin-enriched extracts of common edible berries are mediated by their antioxidant and carbonyl trapping capacities. H. Ma, S. Johnson, N. DaSilva, W. Liu, S.M. Meschwitz, J. Dain, N.P. Seeram 4:45 Concluding Remarks Biological Targets of Botanical Supplements sponsored by TOXI, cosponsored by AGFD location: Marriott Marquis Georgetown University Room Green Polymer Chemistry: Biobased Materials & Biocatalysis New Reaction Strategies & Materials sponsored by POLY, cosponsored by AGFD, CELL, PMSE location: Marriott Marquis Ballroon Salon 8 Undergraduate Research Posters Agricultural & Food Chemistry sponsored by CHED, cosponsored by AGFD, SOCED location: Convention Center Hall D MONDAY EVENING August 21 8:00 - 10:00 PM Convention Center Halls D/E Section A Sci-Mix B. D. Guthrie, Organizer 49, 55, 56, 57, 58, 59, 66, 68, 73, 78, 86, 87, 88, 104, 118, 182, 204, 208, 231, 236, 251, 273, 274, 275, 276 - see previous and subsequent listings TUESDAY MORNING August 22 Convention Center Room 144B Section A Journal of Agricultural & Food Chemistry Best Paper Award & Young Scientist Award Symposium cosponsored by AGRO, CINF, PROF K. D. Deibler, Organizer, Presiding 8:00 Introductory Remarks 8:10 150. Carbonyl-trapping ability of phenolic compounds: An additional protective role of phenolic

compounds against the broadcasting of the lipid oxidative damage in foods. R. Zamora, F.J. Hidalgo 8:50 Intermission 9:05 151. Developing novel chemical imaging approaches in agriculture using mass spectrometry. S. Annangudi, J.R. Gilbert, S. Wilson 9:35 152. Controlling physical properties of β-lactoglobulin microgels to enhance emulsion stabilization. O.G. Jones 10:05 153. Desired flavor-active and undesired food-borne toxicants in our food: How food chemists can help to produce healthier foods with good sensory attributes. M. Granvogl 10:35 Intermission 10:50 154. Dietary intake of oxidized lipids exacerbates colon inflammation and colon cancer through activation of Toll-like receptor 4 (TLR4). G. Zhang 11:20 155. Construction of the next generation platforms to monitor food contamination and food fraud. X. Lu Advancing Analytical Methods in Food Forensics & Authentication cosponsored by ANYL Convention Center Room 149A Section B L. Jackson, A. E. Mitchell, L. L. Yu, Organizers, Presiding 8:30 Introductory Remarks 8:35 156. Frontiers in food forensics and authentication. A.E. Mitchell 9:05 157. Food defense: Defining food system disruptions. A. Kircher 9:35 158. Spectroscopy based methods for detection of food adulteration. X. Lu, B. Rasco 10:05 159. Non-targeted methods for characterization of foods and botanicals. J. Harnly 10:35 Intermission 10:50 160. Standardization of non-targeted methods for food adulteration prevention. Z. Xie, J. Moore 11:20 161. Fingerprinting and metabolomics applications in food/botanical authentication and quality evaluation. J. Sun, P. Chen 11:50 162. HPLC fingerprinting for authentication of Berberis species. N. Kaushik, D. Bharadwaj Food Safety & Labeling: Food & Flavor Regulations, Progress & Challenges in the Pursuit to Serve the Consumer Food Safety, Food Processing, Validation of Labeling cosponsored by PROF Convention Center Room 144C Section C O. Burleson, M. Guentert, D. K. Weerasinghe, Organizers L. Jackson, Organizer, Presiding J. Canavan, Presiding 8:30 Introductory Remarks 8:40 163. Ohmic heating and its advantages for clean labeling. S. Sastry, T. Pyatkovskyy, C. Samaranayake 9:10 164. Limited survey of dark chocolate and bakery products for undeclared milk. B. Bedford, Y. Yu, X. Wang, L. Jackson 9:40 165. Applications of isothermal calorimetry for food safety. L. Wadsö 10:10 Intermission

10:25 166. FSMA and the current good manufacturing practice, hazard analysis, and risk-based preventive controls for human food rule. L. Hsu 10:55 167. FSIS food regulatory and labeling overview. J. Canavan Advances in Flavor Analysis cosponsored by ANYL Convention Center Room 149B Section D M. C. Qian, C. T. Shao, Organizers, Presiding 8:30 Introductory Remarks 8:35 168. From chemosensory codes to unified flavor quantitation. T. Hofmann, A. Dunkel 8:55 169. Using data tools and data visualization to interpret multifactorial flavour datasets. A.J. Taylor, D.S. Mottram 9:15 170. Efficient aroma analysis through non-targeted pre-screening followed by detailed analysis using on-line MS and GC-EI/APCI-MS. J. Hatakeyama, A.J. Taylor 9:35 171. Rapid, sensitive, and spatially resolved measurements of trace volatiles using sorbent meshes and high-resolution ambient ionization mass spectrometry. G.L. Sacks, J.A. Jastrzembski, M.Y. Bee 9:55 172. Targeting taste-active peptides in foods by new approaches in peptidome analysis. K. Sebald, A. Dunkel, T. Hofmann 10:15 Intermission 10:30 173. Streamlined approach for the determination of aroma components of aged liquors. W. Zhu, K.R. Cadwallader 10:50 174. Determination of chlorophenols in starch and starch based snacks by solid phase microextraction with in situ derivatization and gas chromatography coupled to tandem mass spectrometry. C.T. Shao, V.A. Elder 11:10 175. Sensomics approach applied to flavor and taste studies in yellow tamarillo (Solanum betaceum) fruit. J. García-Chacón, L. Prieto, C. Osorio Roa 11:30 176. Analysis of organic volatile aroma compounds in douzhi and tentative characterization of the key odorants by odor activity value. Y. Liu, J. Huang, Y. Zhang, Z. Miao 11:50 Concluding Remarks Sterling Hendricks Memorial Lecture Award sponsored by AGRO, cosponsored by AGFD location: Renaissance Washington Mt Vernon Square B Room (11:45 AM - 12:55 PM) Green Polymer Chemistry: Biobased Materials & Biocatalysis Green Biocatalytic Transformations sponsored by POLY, sosponsored by AGFD, CELL, PMSE location: Marriott Marquis Ballroon Salon 8 TUESDAY AFTERNOON August 22 Convention Center Room 144B Section A AGFD Award Symposium in honor of Dr. Ronald E. Wrolstad N. P. Seeram, Organizer, Presiding 1:30 Introductory Remarks 1:35 177. Colorful world of anthocyanins: Learning from nature. M. Giusti

2:10 178. pH-Differential method applied to the color assessment of anthocyanin-rich extracts and microencapsulates from Pouroma cecropiifolia Mart. fruit. J. Barrios, A. Morales, C. Osorio Roa 2:45 179. Authentication of food ingredients by vibrational spectroscopy: Moving out of the lab. L. Rodriguez-Saona 3:20 Intermission 3:35 180. Understanding anthocyanin: Researcher and educator Dr. Ron Wrolstad. J. Lee 4:10 181. Rewards of anthocyanin research. R. Wrolstad 4:45 Concluding Remarks Advancing Analytical Methods in Food Forensics & Authentication cosponsored by ANYL Convention Center Room 149A Section B L. Jackson, A. E. Mitchell, L. L. Yu, Organizers, Presiding 1:00 182. Manuka honey authentication via fingerprinting and statistics. N. Beitlich, K. Speer 1:30 183. Novel approaches in high-resolution UHPLC-MS based metabolomics for analysis of food authenticity. A. Dunkel, T. Hofmann 2:00 184. Non-targeted fingerprints for detecting milk quality and safety. W. Lu, B. Gao, L. Du, L.L. Yu 2:30 185. Application of a novel FT-NIR and PLS1 methodology to the rapid prediction of authenticity of extra virgin olive oil products. M.M. Mossoba 3:00 Intermission 3:15 186. SPME-GC-ToF-MS techniques applied to identifying potential product taints. M.J. Morello 3:45 187. Food forensics investigation combining microscopy and spectroscopy. J. Dong, V. St.Jeor, A. Lape, T. Lindgren 4:15 188. Selected food forensic techniques to evaluate food authenticity and adulteration. S.D. Bhandari, M. Germani, Z. Xie Food Safety & Labeling: Food & Flavor Regulations, Progress & Challenges in the Pursuit to Serve the Consumer Food Safety, Food Processing, Validation of Labeling cosponsored by PROF Convention Center Room 144C Section C M. Guentert, L. Jackson, D. K. Weerasinghe, Organizers O. Burleson, Organizer, Presiding I. Labuda, Presiding 1:00 Introductory Remarks 1:10 189. Food safety interventions research at the eastern regional research center: Innovative sanitizers, natural antimicrobials and nonthermal processing technologies. J.B. Gurtler, B.A. Niemira 1:40 190. Pesticide detection in organic and non-organic foods and flavors. I. Labuda, X. Zhang, L. Heller 2:10 191. Mitigation of food fraud using the USP Food Fraud Mitigation Guidance and Food Fraud Database 2.0. J. Balson 2:40 Intermission 2:55 192. Reasons for proper labelling to promote the safety of thermally processed fluid products. J. Miles 3:25 193. Traceability and authenticity in food products: Contribution of NMR for intramolecular isotope

measurements. G. Remaud, V. Silvestre, R.J. Robins, S. Akoka 3:55 Concluding Remarks Advances in Flavor Analysis cosponsored by ANYL Convention Center Room 149B Section D M. C. Qian, C. T. Shao, Organizers, Presiding 1:30 Introductory Remarks 1:35 194. Application of gas chromatography: Vacuum ultraviolet spectroscopy to flavor and fragrance analysis. K. Schug, I.C. Santos, C. Qiu, J. Schenk, M. Bernart, J. Smuts 1:55 195. Two-dimensional GC-MS/olfactometry to study chiral terpene alcohol aroma contribution and stability. M.C. Qian, F. He, Y.L. Qian 2:15 196. Quantitation of potent polyfunctional thiols and their enantiomers in wine using HPLC-MS/MS after derivatization. D.L. Capone, L. Chen, L. Francis, D.W. Jeffery 2:35 197. Characterization of volatile sulfur compounds in different flavor types of Chinese liquor by gas chromatography-pulsed flame photometric detection. S. Chen, S. Sha, Y. Xu 2:55 Intermission 3:10 198. Applying fuzzy-set logic analysis to relationships between flavor chemistry and sensory perception: A case of red fruit aromas in wine. E. Tomasino, A. Tomasino 3:30 199. Elucidation of off-flavors in canola and olive oils. M. Granvogl, K. Matheis, P.H. Schieberle, A. Neugebauer 3:50 200. Novel flavor ingredient discovery by cutting edge instrumental analysis and sensory evaluation. X. Du 4:10 201. Characterization of the key aroma compounds in Chinese high-grade green tea beverage (Camellia Sinensis) and studies on changes in tea leaves induced by the traditional manufacturing. M. Flaig, P.H. Schieberle 4:30 202. Optimization of reaction flavor for sweet-brown top-notes. L. Paravisini, D.G. Peterson 4:50 Concluding Remarks Green Polymer Chemistry: Biobased Materials & Biocatalysis Polysaccharide-Based Materials sponsored by POLY, cosponsored by AGFD, CELL, PMSE location: Marriott Marquis Ballroon Salon 8 TUESDAY EVENING August 22 6:00 – 8:00 PM Green Polymer Chemistry: Biobased Materials & Biocatalysis sponsored by POLY, cosponsored by AGFD, CELL, PMSE location Convention Center Hall E WEDNESDAY MORNING August 23 Convention Center Room 144B Section A Food-Borne Toxicants: Formation, Analysis & Toxicology M. Granvogl, S. MacMahon, Organizers, Presiding 8:30 Introductory Remarks

8:35 203. Mitigation of the formation of acrylamide in foods – what has been achieved?. D.S. Mottram, N. Halford, S.J. Powers, A. Curtis 9:05 204. Acrylamide levels in chips made from vegetables other than potatoes. S. Elmore, F. Xu, M. Oruna-Concha 9:35 205. Reducing the acrylamide-forming potential of wheat, rye and potato: Variety selection, genetic improvement and crop management. N. Halford, S. Raffan, T. Curtis 10:05 Intermission 10:25 206. Formation of acrylamide in thermally processed foods and its reactions during in vitro digestion. V. Gökmen, A. Hamzalioğlu 10:55 207. Analysis and occurrence of MCPD and glycidyl esters in infant formula and other complex food matrices. J. Leigh, S. MacMahon 11:25 Concluding Remarks Advancing Analytical Methods in Food Forensics & Authentication cosponsored by ANYL Convention Center Room 144C Section B L. Jackson, Organizer A. E. Mitchell, L. L. Yu, Organizers, Presiding 8:30 208. Tracing quinone reactions in wine using C-13 labeling and QToF MS. L. Ma, A.L. Waterhouse, C. Bueschl, R. Schuhmacher 9:00 209. Elemental profiling to establish authenticity of grapes and wines. C. Tanabe, J. Godshaw, R. Boulton, S.E. Ebeler, H. Hopfer, J. Nelson 9:30 210. No standards? No problem! A standard-less isotope dilution speciation method to quantify adulteration of green table olives with copper compounds. P.J. Gray, T. Todorov, B. Petigara Harp, P. Delmonte, P.F. Scholl 10:00 Intermission 10:15 211. Forensic DNA-based species identification tools for hazards assessment, investigation of seafood-related illness, and detection of seafood fraud. J. Deeds 10:45 212. Identification of strain specific bacterial proteins and protein toxins by top-down and bottom-up mass spectrometry. M. McFarland, S. Chen, D. Andrzejewski, S. Tallent, T.R. Croley 11:15 213. Effects of adulteration technique on the NIR detection of melamine in milk powder. P.F. Scholl, M. Bergana, B.J. Yakes, Z. Xie, S. Zbylut, G. Downey, M.M. Mossoba, J.E. Jablonski, S. Karunathilaka, L.K. Ackerman, R.L. Magaletta, S. Holroyd, M. Buehler, J. Qin, W. Hurst, J. LaPointe, D. Roberts, C. Zrybko, A. Mackey, J. Holton, G. Israelson, A. Payne, B. Gao, M. Kim, K. Chao, J. Moore Natural Alternatives to Artificial Food Additives Convention Center Room 149A Section C K. R. Cadwallader, F. Shahidi, Organizers, Presiding 8:30 214. Flavors and flavorings in a clean label environment. K.R. Cadwallader 9:00 215. Clean label antioxidants in food application. F. Shahidi

9:30 216. Converting phyto-compounds to multifunctional food ingredients. R.T. Toledo 10:00 Intermission 10:15 217. Chemistry and challenges in using natural sourced colors exempt from FDA certification. M. Goldschmidt 10:45 218. Carotenoids and natural and functional food colorants. K. Miyashita 11:15 219. Stabilization of anthocyanins with food pigment potential and their insulin sensitizing effect in adipocytes under inflammatory status. E. Demejia, D. Luna-Vital Green Polymer Chemistry: Biobased Materials & Biocatalysis Biobased Thermosetting Resins sponsored by POLY, cosponsored by AGFD, CELL, PMSE location: Marriott Marquis Ballroon Salon 8 WEDNESDAY AFTERNOON August 23 Convention Center Room 144B Section A Food-Borne Toxicants: Formation, Analysis & Toxicology M. Granvogl, S. MacMahon, Organizers, Presiding 1:30 Introductory Remarks 1:35 220. Lipid hydroperoxides and the either promoting or inhibitory role of phenolic compounds in 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP) formation. F.J. Hidalgo, R. Zamora 2:05 221. Simultaneous formation of undesired food-borne toxicants and desired aroma-active compounds. M. Granvogl 2:35 Intermission 2:55 222. Alleviation chronic cadmium stress toxicity in albino rats using some domestic plants. E. Shaker, S. Mnaa 3:25 223. Analysis of arsenolipids in seafood. S. Conklin, M.M. Wolle 3:55 Concluding Remarks Advancing Analytical Methods in Food Forensics & Authentication cosponsored by ANYL Convention Center Room 144C Section B L. Jackson, Organizer A. E. Mitchell, L. L. Yu, Organizers, Presiding 1:30 224. Detecting and distinguishing among covalent and non-covalent differences in proteins: Shiga toxins and prions. C.J. Silva, M.L. Erickson-Beltran 2:00 225. Use of a novel xMAP food allergen detection assay to detect food allergens. E.A. Garber 2:30 226. Presence of undeclared allergens in food: A multi-allergen approach by mass spectrometry. C.H. Parker 3:00 Intermission 3:15 227. Development and validation of a hepatotoxicity prediction model using cultured clone-9 cells. L. Jie, W. Lu, X. Sun, C. Zou, L.L. Yu 3:45 228. Novel tool for in vitro toxicity screening of foods using biosensor-expressing human kidney cells. M. Mossoba, S. Vohra, E. Bigley III, Z. Keltner, P. Wiesenfeld

4:15 229. Persistent luminescence nanophosphor-based optical imaging for determination of aflatoxin in cells via time-resolved fluorescence resonance energy transfer. J. Liu, S. Wang 4:45 Concluding Remarks Natural Alternatives to Artificial Food Additives Convention Center Room 149A Section C K. R. Cadwallader, F. Shahidi, Organizers, Presiding 1:00 230. Antimicrobial activity of sophorolipids against foodborne pathogenic bacteria. X. Fan, X. Zhang, R. Ashby, D. Solaiman 1:30 231. 3,6-Anhydro-L-galactose as a new natural anticariogenic sugar. E. Yun, A. Lee, K. Kim 2:00 Intermission 2:15 232. Formation and mass spectrometric identification of acetaldehyde-catalyzed condensation of red radish (Raphanus sativus) anthocyanins and catechin. N.B. Stebbins, L. Howard, R. Prior, C. Brownmiller 2:45 233. Oxidative stability of fish oil-in-water emulsions stabilized by protein-polyscharide complexes. M. Krempel, K. Griffin, H. Khouryieh Green Polymer Chemistry: Biobased Materials & Biocatalysis Plant Oils & Ferulate-Based Materials sponsored by POLY, cosponsored by AGFD, CELL, PMSE location: Marriott Marquis Ballroon Salon 8 THURSDAY MORNING August 24 Convention Center Room 144B Section A Food-Borne Toxicants: Formation, Analysis & Toxicology M. Granvogl, S. MacMahon, Organizers, Presiding 8:30 Introductory Remarks 8:35 234. Fit-for-Purpose methods for mycotoxin analysis using LC-MS. K. Zhang 9:05 235. Thermal reactions and the formation of degradation products of T2 and HT2 toxin during processing of oats. H. Schmidt, M. Schulz, S. Becker, B. Cramer, H. Humpf 9:35 Intermission 9:55 236. Development of a single kernel assay for aflatoxin contamination in maize. D.L. Sparks, A.E. Brown, C.X. Reid, X. Shan 10:25 237. Identification and determination of potential migrants in food contact materials. R. Paseiro Cerrato, L.K. Ackerman, L. Dejager, T. Begley 10:55 Concluding Remarks General Papers Convention Center Room 144C Section B B. D. Guthrie, Organizer H. Ma, Presiding 8:30 Introductory Remarks 8:35 238. Cabbage inhibits nitrate reduction in other vegetables. J. Huang 8:55 239. Cholesterol-lowering activity of short-chain fatty acids in hypercholesterolemia hamsters. Y. Zhao, Z. Chen

9:15 240. Cholesterol analogs with a branched side chain but not a straight chain possess a cholesterol-lowering activity. H. Zhu, Z. Chen 9:35 241. Flame retardant 2,2′,4,4′-Tetrabromodiphenyl ether enhances the expression of corticotropin-releasing hormone in the placental cell model JEG-3. Y. Tan 9:55 242. Resveratrol and piceatannol inhibit alpha-glucosidase in mice. A.J. Zhang, A.M. Rimando, C.S. Mizuno, S. Mathews 10:15 Intermission 10:35 243. Oral delivery of phytochemicals by edible nanoencapsulation vehicles. J. Xiao 10:55 244. Identification of Interleukin 8-reducing lead compounds based on SAR studies on food-derived dihydrochalcones and related compounds in human gingival fibroblasts. K. Schueller, J. Hans, S. Pfeiffer, J. Walker, J.P. Ley, V. Somoza 11:15 245. Identification of amino acid structural determinants for activating mechanisms of gastric acid secretion. V. Stoeger, K. Liszt, B. Lieder, M. Zopun, M. Wendelin, J. Hans, J.P. Ley, G.E. Krammer, V. Somoza 11:35 246. Structural determinants of fatty acid uptake inhibition in differentiated Caco-2 cells. B. Lieder, J. Hans, K. Geissler, F. Hentschel, J.P. Ley 11:55 247. Withdrawn Nanoscale Sensing in Foods & Other Complex Media cosponsored by AGRO, ANYL, COLL, ENVR, INOR Convention Center Room 149A Section C T. V. Duncan, B. Park, Y. Wang, Organizers R. G. Weiner, Organizer, Presiding 8:30 Introductory Remarks 8:35 248. In Situ and real-time monitoring of pesticide translocation and persistence in tomato plants by surface enhanced Raman spectroscopy. T. Yang, L. He 9:00 249. Surface plasmon resonance imaging for label-free detection of foodborne pathogens and toxins. J. Chen, B. Park 9:25 250. Improving the robustness of plasmonic nanoparticles for sensing in complex media. A.J. Haes 9:50 251. Nanomaterials-based biosensor system for rapid detection of Salmonella Typhimurium in poultry supply chains. Y. Li, J. Lin, J. Wang, M. Liao 10:15 Intermission 10:30 252. Applications of near infrared fluorescent single walled carbon nanotube sensors to food and agriculture security. M. Strano 10:55 253. Active botulinum neurotoxin serotypes A and B detection and differentiation by FRET-based sensor. Y. Wang, H.C. Fry, I. Medintz, G.E. Skinner, K.M. Schill, T.V. Duncan 11:20 254. Bionanotechnology: Sensing from simple solutions to complex outcomes for food safety. S. Neethirajan, X. Weng, S. Ahmed, J. Jang Green Polymer Chemistry: Biobased Materials & Biocatalysis Therapeutics & Opto-Electronics sponsored by POLY, Cosponsored by AGFD, CELL, PMSE location: Marriott Marquis Ballroon Salon 8

THURSDAY AFTERNOON August 24 Convention Center Room 144B Section A Analysis of Nutrients & Bioactive Compounds in Foods & Dietary Supplements: Methodologies & Challenges for Databases S. Savarala, Organizer P. Pehrsson, X. Wu, Organizers, Presiding 1:30 Introductory Remarks 1:35 255. Analytical methods and data for the USDA food composition databases, and process for evaluating laboratory data quality. P. Pehrsson 1:55 256. New developments in the analyses of bioactive compounds in foods for developing special interest databases. X. Wu, D. Haytowitz, P. Pehrsson 2:15 257. Challenges in research on phytochemicals: Avoiding some potential pitfalls. B.C. Sorkin, D.C. Hopp 2:35 Intermission 2:50 258. Analytically based estimates of ingredient content in dietary supplements: Dietary Supplement Ingredient Database, release 4. K. Andrews 3:10 259. Botanical initiative for the Dietary Supplement Ingredient Database (DSID): Interlaboratory trial to assess methods for catechins in green tea dietary supplements. S. Savarala 3:30 260. NIST Tools for analysis of foods & dietary supplements: Ensuring quality in nutrient databases. M.M. Phillips, C. Rimmer, L. Wood General Papers Convention Center Room 144C Section B B. D. Guthrie, Organizer H. Ma, Presiding 1:30 Introductory Remarks 1:35 261. Study starch content and a variety of physical characteristics of rice (Oryza sativa L.). K.A. Omer 1:55 262. Novel swollenin from Talaromyces leycettanus JCM12802 with broad substrate specificity and synergistic action with a cellulase on avicel degradation. Y. Wang, F. Zheng, T. Tu, H. Luo 2:15 263. Isomelezitose production from sucrose via glucansucrases. G.L. Cote, C.D. Skory 2:35 264. Sensory and chemical characterization of Cabernet Sauvignon wines from Chinese Loess Plateau. K. Tang, Y. Ma, Y. Xu 2:55 265. Effect of mixing intensity on hydrolysis of rice straw and its consequence on methane production in anaerobic digestion. M. Kim, B. Kim, Y. Choi, K. Nam 3:15 Intermission 3:35 266. Effect of caffeine concentration on the break-down of starch into sugars by α-amylase. N. Rajan , S. Koellner, V.T. Calabrese, A. Khan

3:55 267. Tuning of complex natural products’ properties used in flavors and fragrances by enzymatic treatment. H. Bouges, S. Antoniotti 4:15 268. Probing the role of cation-π interaction in the thermotolerance and catalytic performance of endo-polygalacturonases. T. Tu, Y. Li, Y. Wang, B. Yao, H. Luo 4:35 269. Development of a green alternative procedure for simultaneous separation and quantification of phytochemicals. Y. Yang, S. Hong, D. Wei, P. Lin, M. Wei 4:55 270. Ultra-sensitive enzyme immunoassays for the determination of imidaclothiz using phage-displayed peptide. Y. Ding, X. Hua 5:15 Concluding Remarks Nanoscale Sensing in Foods & Other Complex Media cosponsored by ANYL, COLL, ENVR, INOR Convention Center Room 149A Section C T. V. Duncan, B. Park, R. G. Weiner, Organizers Y. Wang, Organizer, Presiding 1:30 Introductory Remarks 1:35 271. Three dimensional plasmonic hot spot for label-free sensing of food toxin. P.C. Ray, S.J. Jones, A. Pramanik 2:00 272. Real-time detection of heavy metals and bacteria in water using a graphene-based field-effect transistor sensing platform. J. Chen 2:25 273. DNAzyme- and DNA aptamer-based nanosensors for on-site and real-time detection in food safety and quality. Y. Lu, J. Zhang, T. Lan 2:50 274. Easy-to-use, portable and inexpensive nano-engineered sensors for assessing food quality and safety. E. Andreescu, A. Othman, K. Kirk, F. Mustafa 3:15 Intermission 3:30 275. Exploiting bio-magnetic properties for a simple and rapid label-free extraction and concentration of pathogens from complex matrices. E.C. Alocilja 3:55 276. Withdrawn 4:20 277. Electrochemical conversion of magnetic nanoparticles with multiple interfacial effects for biosensing of avian influenza virus. Y. Fu, Q. Zhang, L. Li, Q. Xie, S. Yao, Y. Li Green Polymer Chemistry: Biobased Materials & Biocatalysis Applications of Biobased Materials sponsored by POLY, cosponsored by AGFD, CELL, PMSE location: Marriott Marquis Ballroon Salon 8

AGFD Abstracts

AGFD 1 Characterising the chemical and sensory properties of Australian rosé wines Jiaming Wang1, Dimitra L. Capone2, Joanna M. Gambetta1, Kerry L. Wilkinson1, David W. Jeffery1, david.jeffery@adelaide.edu.au. (1) Dept of Wine and Food Sci., The Univ. of Adelaide, Urrbrae, South Australia (2) The Australian Wine Research Inst., Urrbrae, South Australia Rosé wine is produced from red grape varieties but the winemaking is more akin to white wine production, leading to blush coloured wines and a range of flavour profiles. Although global production is dominated by white and red wines, rosé wine is becoming more popular among consumers, with large increases in the value of rosé wines being sold domestically or exported internationally. Understanding the chemical and sensory profiles of rosé wines, which in turn drive consumer liking, is an important aspect to consider in scientific and economic terms, yet little information was available on rosé wines produced in Australia. Furthermore, Asian markets offer great commercial potential for rosé wines, so greater knowledge of the link between volatile composition and sensory properties will enable Australian rosé wine producers to target specific styles and obtain a competitive edge internationally. Addressing these aspects, we conducted a number of studies on commercial Australian rosé wines. At first, we undertook sensory descriptive analysis and related the results to quantitative volatile data for over two dozen wines of different styles. This revealed the importance of β-damascenone, 3-methylbutyl acetate, ethyl hexanoate and 3-sulfanylhexyl acetate (3-SHA). We extended this work to gain a first insight into the opinions of Chinese wine professionals for a selection of rosé wines, using network analysis to visualise the relationships between sensory and chemical data. We identified that neither residual sugar (surprisingly) nor developed characters were related with higher scores for preference, perceived quality or expected price whereas acetate esters, which were related to red fruit characters, were positively associated with the preferences of the judges. Finally, we characterised two rosé wines, one with fruity/floral attributes and the other expressing tropical nuances, using gas chromatography-olfactometry and aroma extract dilution analysis of extracts prepared by two different methods. This revealed that 2-phenylethanol, β-damascenone and a range of esters were descriptive of the fruity and floral wine, and some volatile acids and 3-SHA were more associated with the wine representing the tropical style. AGFD 2 Relating chemical measurements of wine to olfactory perceptions Terry E. Acree, tea2@cornell.edu. Cornell Univ., Geneva, NY, Although wines contain hundreds odor-active chemical, only a few dozen are above their odor threshold and the processes of suppression and the limit on the number of odorants humans can recognize in mixtures implies that only a few inform our odor images. Among those few some odorants appear to dominate at peri-threshold levels, TDN (1,1,6-trimethyl-1,2-dihydronapathalene) in Riesling, 4MMP (4-methyl-4-mercaptopentanone) and 3MH (3-mercaptohexanol) in Sauvignon Blanc and TCA (2,4,6-trichloroanisole) as it contaminates many wines, are examples of odorants that suppress more than others. It is not known how specific these powerful suppressors are, i.e. do they suppress all odorants to the same extent. Using sniff olfactometry similar and dissimilar odorants found in wine were studied in binary mixtures to determine their power to suppress. Clearly some compounds, β-damascenone for example, are less powerful suppressors. The nature of their binary

suppression of key odorants in wine and their implications for odor image formation will be discussed. AGFD 3 Investigations of aroma compounds and sensory profiles affected by the addition of grape leaves or stalks in a red wine fermentation Dimitra L. Capone, dimitra.capone@awri.com.au, Alice Barker, Wes Pearson, Leigh Francis The Australian Wine Research Inst., Adelaide, South Australia The complexity of wine aroma can be attributed to the wide array of sources of volatile compounds, including directly from the berry itself; precursors present in the grapes; yeast; fermentation; oxidation and bottle ageing. Investigations of flavour compounds derived from grapevine leaves and stalks were conducted. The study involved four treatments using Shiraz fruit with replicated winemaking. A ‘berries only’ treatment (control), was compared to a rosé style treatment with no skin contact; an added grape leaves treatment; an added grape stalks (the rachis) treatment; and finally an added peduncle (the stalk connecting the bunch to the vine) treatment. The volatile profile of the wines was assessed by determining the concentration of 51 aroma compounds from different chemical classes, and sensory descriptive analysis was also performed to quantify the sensory properties of the wines. The control and the treatment with the addition of the leaves had relatively high ‘confectionary’ flavor, whereas the wines with the addition of the stalks were rated significantly higher in 'green capsicum' and 'green stalks' attributes, as well as ‘astringency’. The addition of peduncles gave a 'herbal' aroma and a smaller enhancement of 'green' flavor. Importantly, the compound isobutyl methoxypyrazine was found at relatively high concentration in the treatments with the addition of grape stalks and was associated with the ‘green capsicum’ aroma of these wines. This compound, well-known as an important contributor to the flavor of varieties such as Cabernet Sauvignon and has not previously been recognised as important in Shiraz wines. AGFD 4 Aromatic complexity of two premium wines revealed by gas chromatography combined to olfactometry and mass spectrometry Silvia Carlin1,3, Roberto Magri1,3, Cesare Lotti1, Urska Vrhovsek1, FULVIO MATTIVI1,2, fulvio.mattivi@fmach.it. (1) Food Quality and Nutrition, Fondazione Edmund Mach, San Michele all'Adige, Italy (2) Center Agriculture Food Environment (CAFE), Univ. of Trento, San Michele all'Adige, Italy (3) Dept. of Agricultural, Food, Environmental and Animal Sciences, Univ. of Udine, Italy The evolution of analytical instruments is leading to the production of data of increasing size, with over 1000 volatiles being frequently observed within a single run of comprehensive gas chromatography coupled to mass spectrometry. The interpretation of such rich dataset require to focus on the much more limited number of key odorants, and on their characteristic ratios present in each wine. This study was aimed to the recognition and detection of odorous molecules in two wines deriving from renamed wine producing areas. The white variety Verdicchio, considering the wines produced in multiple vintages from some of the best Cru from Marche region, in the Castelli di Jesi Classico area. And the red variety Corvina Veronese, produced from partially dried grapes, cultivated in different area of the Costalunga Cru in Valpolicella, and suitable for the production of Amarone wines. Selected wines were analyzed on GC-O by aroma extract dilution analysis, after Solid Phase Extraction on Isolute ENV+ or Solid Phase Microextraction on DVB/CAR/PDMS fiber. As many as 27 main odorants were found in the Verdicchio wines, and 49 in the Corvina wines. The latter reflecting the higher complexity of wines produced from partially

dried grapes, and with prolonged maceration with the solid part. Most of the odorants were identified and quantified by GC-MS/MS. This survey led to the identification of 3-methyl-2,3-nonanedione as a key odorant characteristic of both Verdicchio and Corvina wines. Verdicchio from the best production areas develops a typical, positive note, described as anise. The systematic characterization of several wines, and comparison with true standard of the candidate compounds having anise among the putative descriptors (trans-anethole, cis-anethole, estragole, methyl salicylate, 3MND, carvone and ethyl esanoate) lead us to suggest that the presence at low concentration of 3MND is likely to explain the anise flavor in Verdicchio wines. 3MND is an intriguing compound, which recently emerged as the most potent known agonist for the human receptor OR1A1, with a submicromolar half-maximal effective concentration. These results further emphasize the controversial role of this compound, whose presence at variable concentrations has been previously described as reminiscent of mint, anise, fruit kernels, and prunes and has been associated to prematurely aged wines, oxidized soybean oil and freshly brewed green tea. AGFD 5 Aroma-migration during the bottling of wine - combining a sensory and analytical approach Ulrich Fischer, ulrich.fischer@dlr.rlp.de, Jochen Vestner, Hans-Georg Schmarr, Maximilian Mathes. Inst. for Viticulture and Oenology, DLR Rheinpfalz, Neustadt an der Weinstrasse, Germany For flavored wine-based drinks such as mulled wine or carbonated wine, addition of aroma compounds is allowed and common practice. However, these wine-based drinks are usually bottled on the same bottling lines used for bottling common still wines, for which aromatization is strictly prohibited. Due to constantly declining analytical detection limits, aroma migration poses a very current residue problem in the wine industry. The objective of this study was to investigate the migration of added aroma compounds from a flavoured wine-based drink into a subsequently filled wine despite the application of state of the art cleaning. Know amounts of the chiral aroma compounds γ-decalactone, γ-undecalactone, d-decalactone, α-ionone, 2-methylbutyrate, and the non-chiral 3-isobutyl 2-methoxy-pyrazin, cinnamon aldehyde and eugenol was added to a Riesling wine. Passing a plate and frame filter and two consecutive membrane filters the wine was bottled and closed with a screw cap. After cleaning the bottling line, the not flavored base wine passed the same filtration line-up and was bottled on the same bottling machine. Samples were taken after each process step in order to assess their relative contribution to the overall aroma migration. For validation, a commercial mango-flavored wine-based drink was bottled in a much larger facility, followed by a non-flavored wine after cleaning of the bottling-line. Analytical determination of aroma migration was achieved by using a HS-SPME-enantio-MDGC-MS / MS analysis. Odor thresholds of the added aroma compounds were obtained for a water, model wine and wine matrix. Sensory triangle tests revealed significant aroma migration when comparing the rinsing water before and after the clean-in-place process with the tap water. However no statistical difference could be obtained when the original wine was compared to the wine, which has passed the cleaned bottling line. This sensory outcome was backed by analytical measures. Calculation of the ratio between sensory thresholds and analyzed aroma concentration yielded values of 0.13 and lower. In conclusion migration of added aroma compound from a flavored wine in this set-up was so limited that they could not be detected in the following by sensory or analytical means. AGFD 6 Development of carotenoids and C13-norisoprenoids in Vitis vinifera L. Cv. Pinot noir grapes Fang Yuan, Michael C. Qian, michael.qian@oregonstate.edu. Oregon State Univ, Corvallis Developmental changes in the carotenoids and volatile compounds of Pinot noir grape berries were investigated in this study from pea size

to harvest during 2012. HPLC analysis showed continued decrease of lutein, β-carotene, neochrome a and neoxanthin continued to decrease during berry development, with rapid decrease of lutein and (9’z)-neoxanthin occurred two weeks before véraison. Neochrome b and violaxanthin accumulated at early development and started to decrease two weeks before véraison. Volatile analysis demonstrated that total β-damascenone, TDN and vitispirane all increased dramatically, especially at later stage of ripening, whereas the changes for α-ionone and β-ionone were not obvious. The correlation between carotenoids and C13-norisoprenoids in the grape berries was compound-dependent, suggesting dependency on enzyme activity and specificity. The effect of viticultural practices on C13-norisprenoids in grapes and wines will also be discussed. AGFD 7 Assessing smoke taint risk based on the composition of smoke exposed grape berries and the resulting wines Thomas S. Collins, tom.collins@wsu.edu. Viticulture and Enology Program, Washington State Univ. Richland Smoke affected wines arising from vineyards exposed to smoke from wildfires have been reported in Australia, California, British Columbia and Washington State in recent years. Affected wines exhibit aromas described as cigarette smoke, smoked fish, ashy and similar, as well as aftertastes reminiscent of cigar butt and ashtray, and often increased harshness in the finish. As smoke affected wines may require additional processing to make them saleable or in many cases cannot be used even then, methods for the assessment of the risk associated with smoke exposure for the resulting wines are needed. In this study research vineyards were exposed to smoke of similar intensity and duration as seen in recent wildfire episodes in Washington. The smoke exposures were conducted in portable hoop-house which each covered 60 vines in two vineyard rows. The smoke exposures were conducted in late July and early August 2016 at a research vineyard at the Prosser IAREC Roza field station. The trials were conducted in Riesling and Cabernet Sauvignon blocks. In each trial, the vines were exposed to moderate levels of smoke from cedar and fir bark for periods of 18 hours. Grape berry samples were collected at regular intervals during the smoking trials. Fruit from the smoke exposed and control vines was harvested at typical ripeness levels and transported to the WSU Wine Science Center for processing. Wines were made from the fruit using standard white and red research winemaking protocols. Chemical analyses of grape berry extracts and of samples collected during and after fermentation have found glycosides of compounds previously associated with smoke taint. Evaluation of these results continues with the goal of identifying additional compounds associated with vineyard smoke exposure and with the presence of smoke-related aromas and flavors in the resulting wines. AGFD 8 Stability of fish oil in cross-linked alginate microcapsules prepared by spray-drying Scott A. Strobel1, sastrobel@ucdavis.edu, Benjamin M. Arbaugh1, Kevin A. Hudnall1, Herbert B. Scher1, Nintin Nintin1,2, Tina Jeoh1. (1) Biological & Agricultural Eng., Univ. of California, Davis (2) Food Sci., Univ. of California, Davis In the food industry, microencapsulation of marine oils is motivated by the need to enhance the shelf life of bioactives, mask unwanted flavors and odors, and facilitate their incorporation into food products. Dry cross-linked alginate, a promising material for microencapsulation, may be suitable for encapsulating lipophilic bioactive food ingredients such as fish oil. In our previous work, we developed a technology to produce cross-linked alginate microcapsules (CLAMs) by spray-drying. In this process, particle formation, cross-linking of alginates, and particle dehydration occur within one scalable unit procedure. Oil and emulsifier are homogenized to form a fine emulsion, which is combined with a mixture containing sodium alginate, an insoluble calcium salt, and a weak acid neutralized by addition of a volatile base. Upon spray drying, the vaporization of the base acidifies the droplets, dissolving

the calcium salt to facilitate cross-linking of alginate. While this technology previously has been applied to microencapsulate emulsified edible oils, the stability of bioactive lipophiles in spray-dried CLAMs was not assessed. In this study, the stability of eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA) in CLAMs containing fish oil was evaluated during storage at ambient and elevated temperature conditions. EPA and DHA stability was prolonged by microencapsulation in CLAMs, relative to non-encapsulated fish oil. Powders recovered from the collection chamber experienced a longer period of EPA and DHA stability compared to cyclone powders. Neither the choice of emulsifier (Tween 80 or whey protein isolate) nor the extent of cross-linking influenced the storage stability of EPA and DHA. However, the initial quantity of both bioactives after spray-drying was considerably reduced in microcapsules prepared with Tween 80, suggesting that whey protein isolate may offer protection against degradation during spray-drying. Once oxidized, fish oil microcapsules exhibited unique properties, including color change, decreased extractable oil, and particle aggregation. AGFD 9 Bioparticle-Based pesticide degradation using enzyme immobilization Payam Pourtaheri1,2, ppourtaheri@gmail.com, Ameer Shakeel2, ameer@agrospheres.com, Zachery Davis1, zach@agrospheres.com, Sepehr Zomorodi2, sep@agrospheres.com, Joseph Frank2, joe@agrospheres.com, Mark Kester2, Shaun Moshasha1. (1) AgroSpheres, Charlottesville, Virginia (2) nanoSTAR Inst. - Univ. of Virginia, Charlottesville Pesticide usage is required in order to maximize production of produce in a variety of environments, however, pesticide use often results in economic and health repercussions for farmers and consumers. The EPA estimates that 20,000 farmers are poisoned each year in the US, while the WHO estimates several million global cases of pesticide poisoning each year with 370,000 reported deaths in 2012. Organophosphate pesticides are one of the most common classes of pesticides used throughout the world. AgroSpheres has invented and patented a biological device capable of quickly degrading organophosphate pesticides into non-toxic derivatives. AgroSpheres hypothesizes that this biological device is capable of removing organophosphate pesticide residues on the leaves of crops. To test this hypothesis, we initially characterized the physio-chemical properties of AgroSpheres by molecular and microscopy techniques and verified enzymatic activity kinetically in vitro. We next extended these studies to field trials, testing and verifying enhanced pesticide degradation on 15 grape vines at selected vineyards in Virginia. Malathion, a commonly used organophosphate pesticide (half-life 33.6 hours), was evenly sprayed onto 15 vines, which were then broken into 3 experimental conditions—catalytic AgroSpheres, inactive AgroSpheres, and no AgroSpheres. Leaves were collected from each of the 5 vines per experimental condition at various time points and samples were analyzed for residual pesticide via LC/MS. The mass spectrometry results indicated that we had degraded all malathion present within 4 hours with the catalytically active AgroSpheres, which was significantly different from untreated and inactive AgroSpheres applications (t-test and an ANOVA calculation (p<0.05, F>Fcrit)). These field trial results indicate the utility of AgroSpheres pesticide degradation technology. AGFD 10 Hydrogenation of soybean oil without trans-fatty acids using high voltage atmospheric cold plasma (HVACP) Kevin Keener1, kkeener@iastate.edu, Ximena Yepez2. (1) Food Sci. and Human Nutrition, Iowa State Univ., Ames (2) Food Sci., Purdue Univ., West Lafayette, Indiana Traditionally produced partially hydrogenated oils (PHO’s) are no longer considered safe by FDA as a food ingredient due to their high content of trans-fatty acids (TFA). The food industry uses PHO’s in many snacks and processed foods to increase shelf-life and improve functional properties such as

spreadability or mouthfeel. High Voltage Atmospheric Cold Plasma (HVACP) has been investigated as a novel technology to produce PHO’s without the formation of TFA. Experiments conducted at room temperature on 10 mL samples of commercial soybean oil in a dielectric barrier discharge system using 80-90kV and hydrogen gas achieved a significant reduction in iodine value and achieved IV values comparable to a traditionally produced PHO with no TFA present. The saturated fatty acids in HVACP treated oil increase from 20.7% to 32.3%, monounsaturated fatty acids increase from 21.6% to 26.2%, and polyunsaturated fatty acids decrease from 57.7% to 41.5%, with a 12h treatment. It is suspected that molecules separate into atoms (atomic hydrogen and hydrogen radicals) within the electric field, collide with double bonds soybean oil saturated fat. However, reactive gas species may also produce shifts of the double bond location within the hydrocarbon chain, as a new component was detected in the fatty acid profile distinctly different from those observed in traditional oil hydrogenation. In this presentation, optical emission spectroscopy, NMR, and GC-MS data will be presented to explain differences between traditional oil hydrogenation and HVACP oil hydrogenation. The advantages of HVACP are low temperature, atmospheric pressure, catalyst-free and low energy process. This technology is relevant to long-term sustainability of U.S. agriculture, and food systems by increasing demand for U.S. soybeans. AGFD 11 Spectroscopic portable devices and chemometric analysis for table-top sweetener quantitation Betsy J. Yakes, betsy.yakes@fda.hhs.gov. Center for Food Safety and Applied Nutrition FDA, College Park, Maryland Rapid, field-based screening of food products for mislabeling or economically motivated adulteration has been hindered by the majority of methods being constrained to laboratory environments. Recent advances in miniaturization of instrumentation as well as the use of chemometric data analysis allow for the potential of true high-throughput, on-site screening of foods. Building upon previous work with bench-top near-infrared (NIR) and Raman spectroscopy, this poster will overview the development of quantitative models with handheld NIR and Raman devices for prediction of table-top sweetener composition. Table-top formulations use non-nutritive sweeteners as low-calorie alternatives to sugar, and the type and maximum allowable concentration of artificial sweeteners employed vary from country-to-country. Therefore, rapid methods are necessary to evaluate the sweetener components and ensure compliance with regulatory statutes. As a first evaluation, saccharin and cyclamate sweetener models were developed using gravimetrically prepared spiked mixtures that covered the components and their concentration ranges expected in the commercial products. Upon partial least squares (PLS) calibration model development, four commercially available table top formulations were evaluated, and the results compared to conventional UHPLC-MS/MS. The spectroscopic portable devices performed well, with predicted saccharin and cyclamate concentrations in the packets at 80-120% of the label declared values and with consistency across the analytical methods used. These simple, rapid and nondestructive portable device methods have the potential to be used for screening of food products for potential adulteration, quality assurance, and regulatory labeling verification. AGFD 12 MCPD- and glycidyl-esters in palm oil: Mechanisms of formation and opportunities for effective mitigation Brian D. Craft1, bdc5466@hotmail.com, Frederic Destaillats2, Kornel Nagy2. (1) Nestle Purina Petcare PTC, Saint Louis, Missouri (2) NESTEC S.A., VAUD, Switzerland Esters of monochloropropanediol (MCPD) and glycidol are process contaminants that can be formed during the high temperature deodorization of edible oils and are under evaluation as suspect carcinogens. A body of research on laboratory model

chemical reactions mimicking oil deodorization conditions has been conducted with pure acylglycerols in the presence or absence of organic and inorganic chlorine-containing compounds. Results showed that MCPD esters (ME) are formed at temperatures as low as 150 °C, most often through the reaction of organochlorines with TAG. Additional bench-top experiments confirmed that this reaction could be initiated during palm oil deodorization by hydrogen chloride (HCl) gas evolved through the thermal degradation of multiple lipophilic organochlorines present in refined-bleached palm oil. Statistical evaluation of analytical results showed a correlation between organochlorine type and oil refining stage suggesting that these compounds are undergoing a transformation throughout oil production. The majority of MCPD esters formed during deodorization are a result of HCl reacting with TAG at ≥200 °C. This reaction is regioselective and the sn-1(3) position of the glycerol backbone is favored at about a 75-80% frequency. Glycidyl esters (GE) on the other hand, are beginning to be formed at temperatures above 200 °C from DAG (and MAG if present), but not often from TAG, and accumulate exponentially when beyond 3-4% DAG levels in the refined-bleached oil. This level of DAG corresponds to ~2 to 2.5 % of free fatty acids (FFA) in crude palm oil (CPO). Isomers of GE, identified as oxopropyl esters, are also formed during oil deodorization and contribute to around 10% of GE levels. This presentation will focus on the impact this completed research has had on strategies to mitigate the levels of these process contaminants throughout the production and supply chain of refined vegetable oils. Whilst many suppliers of refined edible oils, like palm, have been successful at mitigating ME & GE during oil refining (particularly deodorization), the completed research suggests that precursor-focused mitigation efforts upstream at oil crop harvest and pressing may be more impactful. Further, the combination of both precursor-and refining-focused mitigation efforts together in certain crops like palm oil, may be the only way to achieve the near elimination of these process contaminants. AGFD 13 Acrylamide in food: Formation, analysis and exposure assessment Lauren Jackson, Lauren.Jackson@fda.hhs.gov. FDA, Bedford Park, Illinois In April 2002, researchers in Sweden reported finding acrylamide at levels over 1000 µg/kg in a wide range of heated carbohydrate-rich foods such as fried, baked and roasted potato products, breakfast cereals, breads and crackers, as well as coffee. After the discovery of acrylamide in food, the FDA (FDA) initiated a broad range of research activities including development of methods for detecting acrylamide in food, evaluation of acrylamide levels in a wide range of foods, assessments of acrylamide exposure and toxicity, determination of mechanisms of formation and evaluation of approaches for reducing acrylamide formation. In March 2016, FDA issued “Guidance for Industry: Acrylamide in Foods” which provides information to help growers, manufacturers, and food service operators reduce acrylamide in certain foods. This presentation will provide an overview on the analysis, formation, exposure assessments and mitigation approaches for acrylamide. AGFD 14 Assessment of dietary exposure to 4-methylimidazole (4-MEI) for the U.S. population based on quantitative data from foods containing caramel color Daniel Folmer2, daniel.folmer@fda.hhs.gov, Diana L. Doell2, Hyoung Lee2, Gregory O. Noonan1, Susan E. Carberry2. (1) Food and Drug Admin, College Park, Maryland (2) Office of Food Additive Safety, FDA, College Park, Maryland 4-Methylimidazole (4-MEI) is an impurity found in caramel colors produced using ammonium compounds (Class III and IV caramel). 4-MEI can also form in food through Maillard reactions between reducing sugars and amino acids that occur when a food is cooked, roasted, or heated. The Food and Drug Administration (FDA) is currently assessing the cancer risk to 4-MEI as a result of

toxicological testing conducted by the National Toxicology Program (NTP) on 4-MEI that showed increased incidences of aveolar/bronchiolar carcinoma in mice from chronic exposure to 4-MEI. The FDA has analyzed over 500 label-verified caramel color-containing foods collected from 2013 to 2015 for the presence of 4-MEI. The 4-MEI levels in all food samples collected were quantified using liquid chromatography-tandem mass spectrometry (LC-MS/MS). These data were used to develop a dietary exposure estimate for 4-MEI for the U.S. population aged 2 years or more, as well as several subpopulations, using food consumption data from the combined 2009-2012 National Health and Nutrition Examination Survey (NHANES), as well as 10 to 14-day food consumption data from the NPD’s 2009-2012 Nutrient Intake Database and National Eating Trends (NET-NID) survey. This study summarizes the results of the dietary exposure assessment for 4-MEI. AGFD 15 Optimization in the production of caramel colors Craig Llewellyn, cllewellyn@coca-cola.com. The Coca-Cola Company, Atlanta, Georgia Caramel colors are manufactured through a process that uses heat and ingredients set by regulation (21 CFR § 73.85). Caramelization of the ingredients defined by regulation, specific carbohydrates and food-grade acids, alkalis, and salts, produce the brown colors characteristic of caramel colors. Varying the set of ingredients used produces four classes of caramel colors, each with different chemical and coloring properties and varying types and amounts of constituents. Each class of caramel color, based on its chemical properties, has unique functional properties that determine compatibility with specific types of foods and beverages. The Maillard Reaction is one of the possible chemical reactions that occurs in the caramelization process. Varying the mix of ingredients can also change which Maillard Reaction products are formed and the amounts of each reaction product formed. Using the prescribed set of ingredients and noting the need for specific physical and chemical properties required for the technical function of caramel colors in various foods and beverages, the ability to modify the types and amounts of Maillard Reaction products formed in the caramelization process is limited. Using the mandated set of ingredients and an understanding of the caramelization process occurring in the production of caramel colors, the formation of one constituent, 4-methylimidazole, can be adjusted through an optimization of the manufacturing process AGFD 16 Military-relevant stressors, diet, and the gut microbiome J. Philip Karl, james.p.karl.civ@mail.mil. Military Nutrition Division, US Army Research Inst. of Environmental Medicine, Natick, Massachusetts Warfighters commonly operate at extremes of unique physical, psychological and environmental stressors that challenge health, cognitive function and physical performance. The adverse impact of these stressors may be modulated in part by the gut microbiome. Diet is the predominant non-pharmacologic factor shaping the composition and activity of the gut microbiome. As such, developing nutrition-based strategies targeting the gut microbiome may provide novel solutions for optimizing Warfighter health and performance. The objective of this talk is to provide an overview of existing knowledge relevant to the effects of military-relevant stressors on the gut microbiome and associated health sequelae. Results from recently completed studies examining interactions between diet, the gut microbiome, and the intestinal barrier in Warfighters exposed to military-relevant stressors will be discussed. Although the existing evidence base is small, findings suggest that multiple military-relevant stressors either directly or indirectly modulate the gut microbiome, and that host physiologic responses to these stressors may be determined, in part, both by the state of the pre-stressed gut microbiome and the response of the gut microbiome to those stressors. Multiple nutritional strategies show promise for maintaining health and performance by

building resiliency in the gut microbiome to these stressors, but remain largely untested in Warfighters to date. AGFD 17 Microbial endocrinology as a mechanism governing the interplay between diet, stress and the microbiome on host health and behavior Mark Lyte, mlyte@iastate.edu. Veterinary Microbiology and Preventative Medicine, Iowa State Univ., Ames The ability to define mechanism(s) governing the ability of external factors, such as stress and diet, to impact the microbiota-gut-brain axis and ultimately cognition, can be approached through the identification of common factors that unite all elements. The presence of behavior-relevant neurochemicals within the diet, microbiome and host (especially during periods of stress) represents a common (evolutionary) shared factor that serves as the basis for developing mechanisms that govern interactions central to the functioning of the microbiota-gut-brain axis. This approach has been termed microbial endocrinology and represents the intersection of two seemingly disparate fields, microbiology and neurobiology. Microbial endocrinology is therefore based on the shared presence of neurochemicals that are exactly the same in structure in the host as in the diet and microorganism. While the presence of neurochemicals has been well-recognized in Food Sci. for decades, the ability of microorganisms not only to respond to, but also to synthesize, many of the same neurochemicals produced by the host (i.e. during periods of stress) is a more recent development. Production of neurochemicals by microorganisms usually employs the same biosynthetic pathways as those utilized by the host, indicating that acquisition of a neurochemical-based signaling system in the host may have been acquired due to lateral gene transfer from microorganisms. Such recognition of a common shared signaling system suggests there is a common evolutionary-based mechanistic pathway by which the host may interact with the microbiota in a bi-directional fashion influencing aspects of both disease (i.e. infection) and health (i.e.) such as during periods of stress. The addition of food-based neurochemicals constitutes another element in the functioning of the microbiota-gut-brain axis as it provides neurochemical substrates that first influence the microbiota which in turn influences the host. This presentation will present results from studies which have utilized in vitro and in vivo models to examine microbial endocrinology as one of the mechanisms governing the interplay between diet, stress and the microbiome on host health (i.e. susceptibility to infection) and behavior. AGFD 18 Bacterial metabolism of carbohydrates, dietary fiber and gut health Bruce Hamaker, hamakerb@purdue.edu. Purdue Univ., West Lafayette, Indiana The carbohydrates contained in dietary fiber comprise the major source of nutrients for the gut microbiota, and influence its community structure. The various bacteria and bacterial groups have different abilities to utilize and compete on various carbohydrates, and such an understanding of these relationships would allow for fibers as prebiotics to be used to make predicted shifts in the microbiota for improved health. In our laboratory, we do collaborative work in using bacterial isolates and model competitive systems to gain knowledge of how bacteria utilize fibers and the alignment of carbohydrate structures with strains to favor or disfavor their growth. Our research shows a high specificity of gut bacteria fiber chemical and physical structures to bacterial needs and growth patterns. In experiments using plant cell wall arabinoxylan as model carbohydrate polymers with high variability of structures, xylan-degrading Bacteroides strains were shown to have different competitive advantages to structures existing even within the same polymer. An idea of “discrete structures” favoring bacteria at the strain level was developed. On a more global level, using in vitro human fecal fermentations and animal studies, we have shown that dietary fibers can be identified, and even designed, that have butyrogenic and propiogenic outcomes that may be desirable for health. These and other findings will be put into the context of the

promise of the prebiotic hypothesis for improving health conditions and how prebiotics may someday be used in a personalized way. AGFD 19 Grape proanthocyanidin-induced bloom of gut microbe Akkermansia muciniphila precedes intestinal gene expression changes associated with metabolic resilience Li Zhang1,2, Rachel N. Carmody3, Hetalben Kalariya2, Kristin Moskal2, Peter Kuhn2, Peter J. Turnbaugh4, Ilya Raskin2, Diana Roopchand1, roopchand@sebs.rutgers.edu. (1) Dept. of Food Sci., IFNH Center for Digestive Health, Rutgers, The State Univ. of New Jersey, New Brunswick (2) Dept. of Plant Biology and Pathology, Rutgers, The State Univ. of New Jersey, New Brunswick (3) Dept. of Human Evolutionary Biology, Harvard Univ., Cambridge, Massachusetts (4) G.W. Hooper Research Foundation, Univ. of California San Francisco Poorly absorbed fruit polyphenols are associated with metabolic resilience raising questions about their mechanisms of action. We previously demonstrated that C57BL/6 mice fed high-fat diet supplemented with grape polyphenols (GP) for 12 weeks resulted in a bloom of Akkermansia muciniphila in association with changes in gut gene expression consistent with attenuated metabolic syndrome symptoms. Here we investigated the timing of GP-induced effects and identified the main class of GP responsible for the A. muciniphila bloom. In two 14-day time course studies mice were fed high- or low-fat diets (HFD, LFD) or isocaloric ingredient-matched formulations supplemented with 1% grape polyphenols (HFD-GP, LFD-GP). Mice fed HFD-GP for two weeks showed significantly improved oral glucose tolerance (OGT) compared to control, while LFD and LFD-GP groups displayed similar OGT. A. muciniphila bloom was detected earlier in mice fed LFD-GP than HFD-GP; however, difference in timing of this GP-induced bloom was more dependent on baseline abundance of A. muciniphila in the two cohorts of mice than on dietary fat and this was confirmed in additional experiments. The GP-induced bloom in A. muciniphila occurred before specific intestinal gene expression changes associated with metabolic resilience. Finally, compared to vehicle, mice dosed for 10 days with GP extract (GPE) or an equivalent dose of purified oligomeric grape proanthocyanidins (PAC) showed similar increases in fecal and cecal A. muciniphila. These data suggest that PAC-induced modification of the gut microbiota precedes changes in host gene expression and phenotypes associated with metabolic health. AGFD 20 Influence of prebiotic fibers on gut microbiome and implications for mineral absorption and bone health Mervyn de Souza2, Mervyn.DeSouza@tateandlyle.com, Lisa Spence2, Kavita Karnik2, Kirstie Canene-Adams2, Connie M. Weaver1. (1) Nutrition Science, Purdue Univ., West Lafayette, Indiana (2) Tate & Lyle, Hoffman Estates, Illinois Dietary fibers derived from complex carbohydrates form an important class of prebiotic products in the functional food industry. Non digestible carbohydrates resist digestion and absorption in the human small intestine with complete or partial fermentation in the large intestine. We know that complex interactions between the diet, gut microbiome, and host contribute to functional benefits to the host. New technologies are available to assess mechanisms that may explain these functional benefits to the host. One emerging functional benefit from changes in the gut microbiome is increased calcium absorption, increased bone calcium retention, and improved indices of bone health. Prebiotic fibers enhance microbial fermentation in the gut, providing an ecological advantage to specific nonpathogenic bacteria that have the ability to modify an individual’s metabolic potential. Fermentation of fibers also leads to increased production of short-chain fatty acids. These changes have been positively correlated with increased calcium absorption in humans and increased bone density and strength in animal models. Dietary fibers may offer an additional means to

enhance calcium absorption with the possibility of stimulating the gut microbiome to ultimately influence bone health. AGFD 21 Tannin reacts with SO2 during aging, yielding newly discovered flavan-3-ol sulfonates in wine Andrew L. Waterhouse2, alwaterhouse@ucdavis.edu, Lingjun Ma2, Bennett Addison1, Aude A. Watrelot2. (1) Nuclear Magnetic Resonance Facility, Univ. of California, Davis (2) Viticulture and Enology, Univ. of California, Davis Condensed tannins (proanthocyanidins) are a wine component that is extracted from grapes skins and seeds during wine making. They trigger a tactile sensation of astringency that appears to soften during aging. Under acid condition, the interflavan bond between the proanthocyanindin subunits is labile, leading to bond-cleavage, releasing a carbocation that generally re-forms a similar bond to another subunit. However, the electrophilic intermediate can be trapped by other nucleophiles, such as thiols, forming the basis of the “thiolysis” method for analyzing the components of proanthocyanidins. Sulfur dioxide, widely used in winemaking, is also a nucleophile and could react in a similar manner. Here we report such products, flavan-3-ol sulfonates, in wine for the first time. Two of the major sulfonates were isolated and identified using Nuclear Magnetic Resonance Spectroscopy as (epicatechin-(4β)-sulfonate and epigallocatechin-(4β)-sulfonate). Levels range between 4-60 mg/L and 4-46 mg/L were observed respectively in wines, and surprisingly, were higher than epicatechin or epigallocatechin in most of the wines. Wines aged with higher levels of SO2 have higher levels of the sulfonates, while tannin levels, tannin activity and mean degree of polymerizaton were lower. Since these sulfonates would be ionic, they are likely to have very different sensory properties compared to native tannins, and their formation may provide further insight into the loss of astringency reported during wine aging. AGFD 22 Mechanism of anthocyanin extraction during red wine fermentation Anita Oberholster1, aoberholster@ucdavis.edu, Cristina Medina Plaza2,1, Jordan Beaver2, Larry A. Lerno1, Ravi Ponangi3, Tom Blair3, David E. Block2. (1) Dept. of Viticulture and Enology, Univ. of California, Davis (3) E&J Gallo Winery, Modesto, California The factor that most greatly influences the extraction of phenolics during wine fermentation has been shown to be the temperature at which the fermentation is performed. Previous research has shown that fermentation temperatures approaching 30 °C produce finished wines that are more highly colored and have greater concentrations of pigmented polymers. A second fermentation factor that is also likely to have a significant effect is the production of ethanol during fermentation. Based on these findings it is likely that the fundamental mechanisms and kinetics of phenolic extraction during red wine fermentation will be greatly affected by both temperature and ethanol. The effects of temperature and ethanol concentration on the kinetics of phenolic adsorption and desorption interactions with five different types of cell wall materials (CWM) were investigated. Independent variables include temperatures of 15°C and 30°C, model wines with ethanol concentrations of 0% and 15%, and anthocyanin concentrations of 1, 1.5 and 2 mg/mL. These experiments were conducted in small, bench-top solutions that mimic a single berry fermentation environment. The desorption experiments were carried out immediately after the completion of the adsorption experiments to minimize changes to the cell walls that may affect the kinetics. Results indicate that more than 90% of the adsorption occurs within the first 60 minutes of exposure to CWM, with desorption occurring even faster. At 15°C different concentrations of anthocyanins produced only small variations in the percentage of adsorption and desorption. At 30°C, higher anthocyanin concentration (2 mg/mL) showed significantly higher adsorption rates compared to lower anthocyanin concentrations (1 and 1.5 mg/mL). In both temperature conditions, increasing ethanol concentration resulted in lower adsorption rates. The extent of both

adsorption and desorption was shown to be dependent not only on temperature and ethanol concentration but also on the components of the CWM. This suggest that anthocyanin solubility in the fermenting must and binding affinity of the CWM are driving forces of the anthocyanin extraction mechanism. AGFD 23 High resolution mass spectrometry approaches to characterize wine polyphenols Veronique Cheynier, veronique.cheynier@inra.fr. UMR1083 SPO, INRA, Montpellier Cedex, France Color and taste changes taking place during red wine ageing result from reactions of phenolic compounds and especially of flavan-3-ols (condensed tannins) and anthocyanins. A number of reaction mechanisms and products have been unraveled in model solution studies and confirmed to occur in wine. However, red wine polyphenol composition remains largely unknown and identified compounds represent only the emerged part of the “wine polyphenol iceberg”. It is believed that the immersed part arises from complex random cascades of reactions involving grape polyphenols. In the present work, we applied a non-targeted strategy based on high resolution mass spectrometry and petroleomics-inspired interpretation of the data to explore this hypothesis. The reactions of (-)-epicatechin and/or malvidin-3-O-glucoside in the presence of acetaldehyde, resulting from yeast metabolism and ethanol oxidation, were selected for a proof of concept experiment. Using high resolution mass spectrometry, 160 mass signals were unambiguously attributed to elemental CHO compositions below 3 mmu tolerance. Data interpretation using Van Krevelen diagrams and Kendrick mass defect filtering approach targeting the ethyl-epicatechin and/or ethyl-malvidin-3-O-glucoside units showed series based on the original flavonoid building blocks and additional building blocks arising from their reactions. With all these structures, random cascade reactions of flavonoids and acetaldehyde were demonstrated and could be monitored in wine. AGFD 24 Cap on red wine macromolecules? Updates on how winemaking interventions influence tannin and polysaccharide composition in Shiraz wines Keren Bindon1, keren.bindon@awri.com.au, Stella Kassara1, Chris Curtin2, Sijing Li1,3, Josh Hixson1, Bo Teng1, Kerry Wilkinson2, Paul Smith1. (1) Research, AWRI, Adelaide, South Australia (2) 2. Dept. of Food Sci. and Tech., Oregon State Univ., Corvallis (3) Univ. Of Adelaide, Adelaide, South Australia Tannin and polysaccharide are the most abundant macromolecules in red wines. Their relative concentration and composition is important in defining wine texture, yet these two classes of compounds are rarely studied in conjunction. A large variability in the concentration and composition of macromolecules can be observed simply due to differences in grape composition, which possibly reflects the conditions of fermentation (i.e. sugar, nitrogen) but also differences in relative extractability and retention in wine. From a survey of commercial Shiraz grape parcels fermented under the same conditions, and graded by a commercial quality panel, we observed that higher levels of tannin and certain monosaccharide sugars associated with polysaccharides were correlated with improved quality. The composition of the grapes destined for better wine quality grades had higher levels of both total and extractable tannin. Given this intrinsic variability in grape composition, a key question posed by our research team has been the extent to which winemaking techniques can influence the final wine tannin and polysaccharide composition. Within this, we have aimed to identify the to explore and define the ‘cap’ on wine macromolecules for grapes of defined composition. In recent years, using a standard winemaking on discrete parcels of Shiraz grapes the following interventions have been applied: yeast strain, maceration length, wine additives, water addition and saigneé. In some of these instances, grapes of different ripeness were used. Of the winemaking interventions studied, yeast strain was shown to be one of the most

important factors influencing wine tannin concentration, and to a lesser extent that of polysaccharides. From this work, yeast strains could be identified which produced a range in tannin concentration we had observed for wine quality due to grape composition alone. Follow-up work showed that extending maceration and enzyme addition could further push the ‘cap’ on both tannin and polysaccharide, overriding the effect exerted by yeast strain. These results indicate that winemaking interventions might successfully be used to override limitations in grape composition (ripe grapes). This presentation will summarise these recent studies with a specific focus on understanding the mechanisms by which these effects may occur, and the implications for wine texture (astringency). AGFD 25 Structural studies on three Vitis vinifera thaumatin- like proteins and their hazing potential in white wines Matteo Marangon1, matteo.marangon@awri.com.au, Steven C. Van Sluyter2, Elizabeth J. Waters3, R. I. Menz4. (1) Dept. of Agronomy, Food, Natural Resources, Animals and Environment (DAFNAE), Univ. of Padua, Legnaro, PD, Italy (2) Biological Sciences,, Macquarie Univ., Sydney, New South Wales, Australia (3) Wine Australia, Adelaide, South Australia (4) School of Biological Sciences, Flinders Univ., Adelaide, South Australia White wines generally contain a relatively low concentration of pathogenesis-related (PR) proteins of grape (Vitis vinifera), namely, thaumatin-like proteins (TLPs) and chitinases. These proteins play roles in the defence mechanism of plants against pathogens, and can cause protein haze in white wine unless removed prior to bottling. TLPs are, after chitinases, the second most abundant proteins found in wines. It has been demonstrated that different isoforms of TLPs have different hazing potential and aggregation behaviour, but an explanation on why this occurs is lacking. In this work we present the elucidation of the molecular structures of three isoforms of grape TLPs purified from Sauvignon blanc grape juice. The three TLPs have very similar structures despite belonging to two different classes (F2/4JRU is a thaumatin-like protein while I/4L5H and H2/4MBT are VVTL1), and having different unfolding temperatures (56 vs. 62°C). Interestingly, protein F2/4JRU was found to be heat unstable thus forming haze, while this was not the case for I/4L5H. From the comparison of the three structures we attributed these differences in properties to the conformation of a single loop and the amino acid composition of its flanking regions. The presence of a disulfide bridge in this loop is probably the key for the unfolding/refolding behaviour of this area, and the fact that white wines are typically produced in reducing conditions and with SO2 added to prevent faults due to oxidation is likely to exacerbate haze formation. The availability of structural information on haze forming proteins could inform research into alternative wine stabilisation solutions as the development of target proteases for the degradation of haze-forming proteins, resulting in an important change in the winemaking stabilization practices. AGFD 26 Soluble cell wall polysaccharides and their relationship with wine mouthfeel and taste Hui Hui Chong1, huihui.chong@ejgallo.com, Michael T. Cleary1, Nick Dokoozlian1, Christopher Ford2, Geoffrey Fincher2. (1) E J Gallo Winery, Modesto, California (2) School of Agriculture, The Univ. of Adelaide, Glen Osmond, South Australia The chemical and sensory profiles of Cabernet Sauvignon wines made from grapes at different ripening stages vary greatly. The basic chemical and soluble cell wall polysaccharide (SCWP) compositions of wines were analyzed in parallel with the sensory evaluation of their mouthfeel and taste. The differentiation of wine mouthfeel on the basis of polysaccharide families was demonstrated. Nine types of grape- and yeast-derived SCWP were identified by linkage analysis, and SCWPs from grapes, especially neutral polysaccharides, were shown to have a significant influence on wine sensory perceptions. SCWPs can influence wine

sensory perceptions directly through their chemical properties and indirectly as a result of their interactions with other classes of compounds in wines. This knowledge enables the production of a Cabernet Sauvignon wine with consumer-preferred mouthfeel effects from naturally occurring compounds in grapes using viticulture practices and winemaking techniques. AGFD 27 Integrated approach to managing alcohol levels in wine while maintaining quality and style Renata Ristic2,4, renata.ristic@adelaide.edu.au, Olaf Schelezki2,4, Ana Hranilovic2,4, Sijing Li2,4, Duc-Truc Pham2,4, David Wollan2,4, Keren Bindon1, Paul Boss5, Vanessa Stockdale6,2, David W. Jeffery2,3, Vladimir Jiranek2,3, Kerry Wilkinson2,4. (1) Research, AWRI, Adelaide, South Australia (2) The Australian Research Council Training Centre for Innovative Wine Production, Urrbrae, South Australia (3) Dept of Wine and Food Sci., The Univ. of Adelaide, Urrbrae, South Australia (4) Dept. of Wine and Food Sci., The Univ. of Adelaide, Urrbrae, South Australia (5) CSIRO Agriculture and Food, Urrbrae, South Australia (6) Treasury Wine Estates, Nuriootpa, South Australia Warmer environmental conditions and/or prolonged ripening times due to winery congestion have contributed over the years to the production of wines with ever increasing alcohol contents. These wines can exhibit diminished varietal aroma and flavour characters, together with notable ‘hotness’ and ‘overripe fruit’ notes, which are considered detrimental to wine quality. Concurrently, there is increased consumer demand for lower alcohol wine styles, and therefore, interest from industry in strategies that achieve lower wine alcohol levels, without compromising quality. Existing technologies enable the partial dealcoholisation of wine, but perceived drawbacks associated with quality and processing costs necessitate further investigation into alternative and innovative techniques, which are both economically feasible and environmentally sustainable. Research undertaken within the Australian Research Council Training Centre for Innovative Wine Production (ARC TC-IWP) focuses on management of wine alcohol levels through an integrated whole-of-production-chain approach, i.e. from the vineyard to the winery and then post-vinification, via a series of complementary studies. The composition and aroma/flavour profiles of wines from trials involving (i) sequential harvest and water blending regimes, (ii) the use of Saccharomyces and non-Saccharomyces yeast strains, (iii) the addition of commercial wine additives (i.e. maceration enzymes, mannoproteins and tannins), and (iv) reverse osmosis/evaporative perstraction treatment, were studied. The potential for each of these approaches, applied either individually or in combination, to achieve lower alcohol levels in wine will be presented. AGFD 28 Determination of seven certified color additives in food products marketed in the US Enio Miranda-Bermudez, enio.miranda-bermudez@fda.hhs.gov, Bhakti Petigara Harp. Center for Food Safety and Applied Nutrition - Office of Cosmetics and Colors, Food and Drug Administration, College Park, Maryland, US This study describes a method for determining FD&C Blue No. 1, FD&C Blue No. 2, FD&C Green No. 3, FD&C Red No. 3, FD&C Red No. 40, FD&C Yellow No. 5, and FD&C Yellow No. 6 in food products marketed in the US. These seven color additives are water-soluble dyes that are required to be batch certified by the FDA (FDA) before they may be used in foods and other FDA-regulated products. In this method, the color additives are extracted from a product using one of two procedures developed for various product types, isolated from the noncolored components, and analyzed by high-performance liquid chromatography with photodiode array detection. The method was validated by determining linearity, range, precision, recovery from various matrices, limit of detection, limit of quantitation, and relative standard deviation for each color additive. A survey of 44 food products, including beverages, frozen treats, powder mixes, gelatin products, candies, icings, jellies, spices, dressings, sauces,

baked goods, and dairy products, found total color additives ranging from 1.9 to 1221 mg/kg. FDA used the method to conduct a rigorous, comprehensive dietary exposure assessment of certified color additives in products. AGFD 29 Development of a specification method to determine unreacted raw materials, products of side reactions, and subsidiary colors in color additives using high-performance liquid chromatography Chiye Tatebe, c-sasaki@nihs.go.jp, Hiroki Kubota, Atsuko Tada, Kyoko Sato. Division of Food Additives, National Inst. of Health and Sciences, Tokyo, Setagaya-ku, Japan In Japan, twelve color additives, namely, Amaranth (R2), Erythrosine (R3), Allura Red AC (R40), Ponceau 4R (R102), Phloxine (R104), Rose Bengal (R105), Acid Red (R106), Tartrazine (Y4), Sunset Yellow FCF (Y5), Fast Green FCF (G3), Brilliant Blue FCF (B1), and Indigo Carmine (B2) are permitted for use in food and regulated by the Food Sanitation Act. Identification tests, purity tests, and assays are defined to confirm their quality and safety in the Japan’s Specifications and Standards for Food Additives (JSSFA). In the 9th JSSFA, the maximum limits for impurities (unreacted raw materials and products of side reactions) and subsidiary colors in these color additives will be defined to promote international harmonization. Therefore, we developed methods of determining impurities and subsidiary colors in the color additives using high-performance liquid chromatography (HPLC). A gradient of two mobile phases (ammonium acetate solution and acetonitrile aqueous solution), a wavelength of 254 nm to detect impurities, and a visible wavelength to detect subsidiary colors were used. Standard curves were used to determine impurities; the area% ((total peak area − main color peak area)/total peak area × color content) was used to determine subsidiary colors. In the impurity recovery test from R3, G3, B1, and B2, the developed method exhibited satisfactory recoveries. The amounts of impurities and/or subsidiary colors were less than their maximum limits as determined from the impurity and subsidiary color survey for R2, R3, R102, Y4, G3, B1, and B2 commercial products. Therefore, it can be noted that the HPLC method is reliable and can be implemented for routine analysis of these color additives. The maximum limits for impurities and subsidiary colors in R104, R105, and R106 will be defined as 6%, 4.5%, and 10%, respectively, in the 9th JSSFA based on the survey of their commercial products. AGFD 30 Determination of color adulteration of green table olives by copper salts Bhakti Petigara Harp, Bhakti.Petigara@fda.hhs.gov, Pierluigi Delmonte, Patrick Gray, Peter F. Scholl, Todor Todorov. Center for Food and Applied Nutrition, FDA, College Park, Maryland Green table olives are an increasingly popular food in the U.S. market. Their unique color, a key feature of this product, changes as a result of industrial transformation, storage, or aging. During processing and subsequent storage, chlorophylls, which are the primary pigments of green table olives, lose magnesium and turn into pheophytin a. This process results in the fading of the natural green color to brown or yellow. We have investigated the addition of copper salts to green table olives. We confirmed that in the presence of ionic copper, pheophytin a and other chlorophyll degradation products transform to highly stable, bright green copper-chlorophyll complexes. We used UHPLC combined with an Orbitrap mass spectrometer to identify the copper chlorophyll complexes. We used ICP-MS combined with post-column online isotope dilution to quantify elemental copper in the absence of pure calibration standards. Because copper salts are non-permitted color additives in green table olives, FDA considers the copper salts to be potential adulterants. AGFD 31 Arsenic speciation method development for various food matrices Kristie Laurvick, KXB@usp.org. Foods, USP, Rockville, Maryland, US Arsenic is a natural component of the

earth’s crust and is widely distributed throughout the environment in the air, water and land. It is highly toxic in its inorganic form. Contaminated water used for drinking, food preparation and irrigation of food crops pose the greatest threat to public health from arsenic exposure. Arsenic is known food contaminant, especially in products derived from certain types of plants or marine products. In many food products, the limits allowed for arsenic are developed based on total arsenic in the product, which may not really reflect the inherent hazard of the material since it includes organic arsenic, which has a very different toxicological profile. Because of recent concerns raised over arsenic contamination in fish-based and rice-based ingredients, it is necessary to develop and validate a method that will allow for quantitative testing of inorganic versus total arsenic in various food matrices. To support the development of standard methods of analysis, USP performed a study for arsenic speciation utilizing HPLC hyphenated with ICP/MS for determination of inorganic arsenic total arsenic in rice- and marine-based food matrices such as rice starch, phytic acid, menhaden oil, and krill oil. Sample preparation for arsenic (total) was carried out using microwave-assisted sample digestion technique and the sample preparation for inorganic arsenic was carried out using extraction technique. This presentation will focus on the development of these speciated methods of analysis as well as ongoing work to understanding appropriate levels of elemental impurities in food ingredients. AGFD 32 Novel method for the simultaneous determination of 14 sweeteners of regulatory interest using UHPLC-MS/MS Romina Shah, romina.shah@fda.hhs.gov. Analytical Chemistry, FDA, College Park, Maryland Non-nutritive or low calorie sweeteners are commonly used world wide in the food industry, often in combination in order to limit undesirable tastes. The list of allowable sweeteners varies among nations worldwide and it is important for the FDA to monitor these highly consumed products, especially imports, to ensure that they are in compliance with US regulations. Current analytical methods for confirmation and quantifying sweeteners are outdated and do not provide confirmation of analyte identity, required for robust regulatory actions. There is a need for an LC-MS/MS method for the simultaneous determination and confirmation of 14 sweeteners in highly consumed foods such as diet beverages, candies and yogurts. A novel method has been developed for the determination of aspartame, acesulfame K, cyclamate, alitame, neotame, dulcin, sucralose, saccharin, neohesperidine dihydrochalcone, rebaudioside A, stevioside, xylitol, maltitol and erythritol. A reversed-phase UPLC column has enabled the separation of target analytes using a gradient within 30 minutes, and electrospray ionization MS/MS in negative mode. Deuterium labeled saccharin, cyclamate and C13 labeled sorbitol are used as internal standards. The MS parameters have been optimized for all 14 sweetener compounds. The method has been developed using an Agilent 1290 UPLC interfaced with an AB Sciex 4000 Mass Spectrometer. The method has been applied to the analyses of drinks by dilution and filtration prior to UPLC-MS/MS analysis. The sample preparation and cleanup of yogurt samples discussed. This SPE procedure uses a C18 end-capped cartridge for sample cleanup. The linear range for the 14 target compounds spans 0.5 - 2.0 ng/mL. Spike and recovery studies were conducted in both carbonated and non-carbonated beverages. The drinks were spiked at the maximum usable concentrations governed by the European Union (EU). In the case of the sugar alcohols that have quantum satis (harmless therefore no specific allowable limit) in the EU, the spiking concentration chosen was 20 ppm. This method is specific, reproducible (%RSD values range from 5-15) and sensitive. It is a tool for detecting adulterated or misbranded foods for both domestic and imported products. The development of modern and reliable methods for the quantitative determination of non-nutritive sweeteners in foods will

allow the FDA to more efficiently monitor the food supply and make regulatory and compliance decisions. AGFD 33 Method development and validation for the composition of galactooligosaccharides Liwen Chen, liwenuga@hotmail.com, Linda Liu, Kristie Laurvick, Watson Wang. U.S. Pharmacopeial Convention, Rockville, Maryland, US Galactooligosaccharides (GOS) are popular food ingredients with purported health benefits. It is used in infant formula and often considered a “prebiotic” ingredient. There is a need to develop a convenient and accurate method to analyze the composition (i.e. assay and organic impurities) of GOS to support a public standard of purity and quality for the ingredient as it is used in food products. Hence, we developed a convenient two column-method capable of separately analyzing the content of galactose, glucose, lactose, and GOS-3 to GOS77. The method subsequently underwent single laboratory validation and will be used to create a draft standard for GOS for publication in the Food Chemicals Codex. AGFD 34 Development and validation of an LC-MS/MS method for the determination of sulfite in food and beverages Katherine Carlos, katherine.carlos@fda.hhs.gov, Lowri Dejager. US FDA, College Park, Maryland Sulfites are food additives used in a wide range of food and beverage products to prevent browning or oxidation. While their consumption has no side effects for the majority of the population, a small subset has been shown to have an allergic-like response. For this reason, the US Food and Drug Administration (US FDA) requires that sulfites be labeled as an ingredient on all products that contain greater than 10 mg/kg (ppm) SO2. The current regulatory method, AOAC #990.28 Optimized Monier-Williams (OMW), is successful in quantifying sulfites in most matrices but is time consuming and has a method detection limit at the regulatory labeling threshold. Recently, an LC-MS/MS method was developed that was applicable for a wide range of sulfite containing matrices ranging from dried fruits and vegetables to frozen seafood. This method converts free and reversibly bound sulfite to the formaldehyde adduct, hydroxymethylsulfonate, which can then be separated from matrix constituents using a HILIC analytical column and then detected with tandem mass spectrometry. In this study, a multi-laboratory validation was conducted with 11 laboratories in the US and Canada. Four matrices were spiked at varying concentrations and three additional commercially sulfited matrices were included. An abbreviated comparison study between the LC-MS/MS and OMW was conducted for select samples. Average recoveries for all matrices ranged from 86-114% with % RSDr and % RSDR of 4.5-17.5 % and 8.6-22.5 %, respectively. Proficiency samples were also tested in one laboratory by both methods to further compare the two methods. Method detection limits were determined in several matrices and all were found to be less than 1 ppm SO2 which is a marked improvement to the OMW. This LC-MS/MS method is a faster and more sensitive way of determining sulfites in food and beverages. It shows promise for continuing to improve the enforcement of sulfite labeling requirements protecting those individuals who have sulfite sensitivity. AGFD 35 Development of a HPLC/PDA method for quantitative analysis of food components without the need for analytical standards Yuzo Nishizaki, ynishizak@nihs.go.jp, Naoki Sugimoto, Kyoko Sato. Division of Food Additive, National Inst. of Health Sciences, Setagaya-ku, Tokyo, Japan It is very important for food chemistry and the food industry to precisely determine the contents of food components because the results are associated with the quality and safety of foods. Chromatography such as HPLC/photodiode array (HPLC/PDA) enables the separation and quantification of components in complex mixtures such as natural food additives and processed foods. This technique is widely used in the field of Food

Sci.. The sensitivity of chromatography detectors varies for different analytes because each analyte has unique physical properties. Therefore, analytical standards corresponding to analyte are needed to perform calibrations. However, analytical standards, particularly for natural components, are not widely available. Recently, 1H-quantitative NMR (1H-qNMR) has become a powerful tool for quantifying analytes without having to rely on identical standards; however, the resolution of this technique is inferior to that of chromatography. Therefore, it is difficult to employ it directly to analyze natural food additives and processed foods. Our study has focused on method to remove the disadvantages of chromatography and 1H-qNMR. This has led to designing an off-line combination of HPLC/PDA and 1H-qNMR for estimating chromatographic relative molar sensitivity (RMS) of analytes with respect to a reference standard. The RMSs are calculated as follows: (1) artificial mixtures of the analyte and reference are analyzed using 1H-qNMR and HPLC/PDA; (2) the response ratios of each analyte and its reference, obtained by HPLC/PDA, are corrected using their molar ratios, as obtained by 1H-qNMR; (3) Using HPLC/PDA, analyte contents can be determined from the RMS values, peak area of analytes and reference, and the amount of reference standard precisely added to the sample solution. The accuracy of the calculated RMSs has been verified, and the applicability of our proposed method to determine the contents of components in natural food additives and processed foods has been evaluated. AGFD 36 In vitro fermentation to understand healthy and stressed gut microbiome metabolism Steven Arcidiacono, steven.m.arcidiacono.civ@mail.mil, Laurel Doherty, Ida Pantoja-Feliciano, Katherine Kensil, Kenneth Racicot, Jason W. Soares. US Army NSRDEC, Natick, Massachusetts The abundant bacterial consortia within the gut microbiome plays a critical role in metabolism of dietary compounds that translate to beneficial influences on the host. From a military perspective, the gut microbiome serves as an ideal tool to not only enhance Soldier gut and immune health, but also improve performance. Our work employs in vitro fermentation as a means to elucidate the systematic processes of colonic bacterial metabolism of dietary inputs under both native and stressed conditions. This talk will focus on the use of in vitro fermentation to investigate both the prebiotic potential of cranberry A-type proanthocyanidins (PAC) within a healthy microbiome, and utilization of a fermentable fiber as a function of stress-induced dysbiosis on gut metabolism. Briefly, fermentation vessels containing a nutrient-rich anaerobic media supplemented with purified PAC were inoculated with fecal inocula derived from three individuals and grown in parallel at 37oC under colonic domain-specific conditions using an automated bioreactor platform for precise control over a multitude of parameters. After 5hrs, PAC caused a 2.3-fold increase in total bacterial abundance under transverse colon conditions while ascending and distal colon showed 1.7 and 1.3 fold increase respectively. After 10 hrs, further PAC metabolism was not evident in ascending and distal; however, was still evident under transverse conditions until stationary phase was met. Bacterial population dynamics (16S rRNA sequencing), metabolic byproduct analysis (GC-FID) and PAC metabolite discovery (LC/MS) is underway. These analyses will enable identification of specific bacteria and the upregulation of certain SCFAs that collectively result in a beneficial health effect on the host. For stressed metabolism studies, fecal samples from volunteers exposed to an acute military-relevant stressor, a sudden change in diet for 21 consecutive days, were pooled (N=10) and inoculated in a medium supplemented with resistant starch (RS II), at multiple dosages. Total growth, population and SCFA analysis for comparison to the pre-intervention microbiome state and to volunteers on a standard diet (N=10) will be discussed. An understanding of gut microbiota metabolism dynamics under both stressed and unstressed

conditions could direct future dietary supplementation strategies to build resiliency against military-relevant stressors and offset negative health and performance impacts of gut dysbiosis. AGFD 37 Human gut microbiota modulation by prebiotics Glenn Gibson, G.R.Gibson@reading.ac.uk. Univ. of Reading, Reading, United Kingdom There is now evidence implicating the gut microbiota in the onset and maintenance of many gastrointestinal diseases, including inflammatory bowel disease (IBD), obesity and irritable bowel syndrome (IBS). Importantly, this enteric population is accessible to dietary (possibly therapeutic) intervention and this represents a target for the prevention and treatment of gut mediated disorders. Prebiotics are used to modulate the gut microbiota towards an improved community structure. Examples of these include inulin-type fructans and galactooligosaccharides (GOS). We have researched and developed a new prebiotic GOS (B-GOS). This is a synthetic lactose based oligosaccharide that, following ingestion, passes unchanged to the colon, where it serves as an energy source for saccharolytic colonic bacteria. B-GOS specifically increases populations of beneficial colonic bifidobacteria. It therefore is a recognised prebiotic. The following summarises current progress: (I) The GOS is synthesised from enzymes in B. bifidum 41171, (II) B-GOS has been tested in vitro and in humans for its prebiotic effect (III) Human studies in IBS, elderly persons, traveller’s diarrhoea, metabolic syndrome are completeThese studies will be presented and the possible application of prebiotics to military personnel also discussed. AGFD 38 The effect of sleep on the host metabolome Fernando Vargas1, fevargas@ucsd.edu, Christopher Depner2, Antonio G. Peña3, Rob Knight3, Kenneth Wright2, Pieter C. Dorrestein4. (1) Biological Sciences, Univ. of California, San Diego , La Jolla (2) Dept. of Integrative Physiology, Univ. of Colorado Boulder, Boulder (3) Dept. of Pediatrics, Univ. of California, San Diego, La Jolla, California, US (4) Skaggs School of Pharmacy & Pharmaceutical Sciences, Univ. of California, San Diego, La Jolla The gut microbiota has been shown to influence physiology, health, behavior, and stress; however, the particular microbes or microbial communities associated with physiological and behavior host response to stress remain largely unknown. Sleep and circadian misalignment, common during military operations, have been associated with microbiome dysbiosis, gastrointestinal distress, altered host metabolome, and impaired cognitive function, making them ideal conditions to study the MGB axis. A metabolomic perspective of the gut microbiota’s role in the host stress response and host-microbiota interactions is critical for the development of effective strategies (e.g. probiotic and/or dietary interventions) increase stress robustness during military operations. We investigated the influence of sleep and circadian disruption on the host (human) metabolome and microbiome. AGFD 39 FitBiomics: Understanding elite microbiomes for performance and recovery applications Jonathan Scheiman, jscheiman@genetics.med.harvard.edu. Genetics, Harvard Medical School , Boston, Massachusetts Our group (Church lab, Wyss Inst. for Biologically Inspired Engineering at Harvard Univ.) is sequencing the microbiome of elite athletes to identify and isolate novel probiotic bacteria for applications in performance and recovery. Over the past two years we have made a series of discoveries to identify differences in the microbiome between elite athletes and non-athletes, as well as bacteria that change before, during, and after athletic events. With this wealth of genomic information we have been able to discover several novel probiotic candidates that potentially promote recovery and energy metabolism within their elite athletic hosts. Currently these probiotic candidates are being studied within the laboratory to better understand their

unique properties. Moving forward, we will continue to isolate and characterize additional bacterial species that power the extreme phenotypes we observe within our athletic cohorts, with a particular focus being paid to the areas of endurance, strength, mental toughness, and recovery. We'll ultimately be purifying these novel probiotics and functionally validating for purposes of commercializing as nutrtional ingredients that will benefit all athletes, as well as the general population. AGFD 40 withdrawn AGFD 41 Inventor or entrepreneur...Did you know there was a difference? Kathy M. Bazemore1, kbazemore@cocoonresources.com, Russell A. Bazemore2. (1) Volatile Analysis, Grant, Alabama (2) Volatile Analysis Corp, Grant, Alabama Many people that have interest in science attend undergraduate and graduate school, complete a dissertation, and then move into an academic or industrial career path. As they progress in their careers, the spark that brought them to scientific investigation may lure them in a direction that transpires into inventions. So the cycle is...a new idea, a new path, a new quest. nce the invention spark has been lit, financial opportunities demonstrated, the thoughts start surging. Why not work for myself and benefit from my own inventions? The natural progression of this thought is "I'll start a company." Entrepreneur: What does that really mean? This presentation will discuss the difference between an entrepreneur and an inventor using a real world example where it took both to build a new start-up that is now ten years old. Key examples and points will be discussed in going from concept to reality to an early stage company. AGFD 42 Gallery of rogues: How I found myself as a part of craft distilling’s vanguard Matt Strickland, mstrickland@district-distilling.com. District Distilling Company, Washington, DC With names like Beam, Noe, Russel, and Samuels so prevalent throughout the industry, it quickly becomes clear how steeped in tradition the art of distilling fine spirits really is. It’s a difficult industry to break into and an even harder one to make your unique voice heard amongst the din of purists and traditionalists. Few people think or even dream of becoming a distiller, but that’s exactly what happened as I found myself shifting paths many years ago from marine biology to alcohol production. How I got started in the distilling industry and how I found myself working on some of the most experimental whiskeys to grace the back-bars and store shelves in decades is a tale of trips, fumbles, sweat, and ego-bruising humility. AGFD 43 Grow your own - for fun and profit Joseph Sabol, joe@sabolfarm.com. Joe Sabol Farm, Racine, Wisconsin During the past 100 years, the Unites States has gone from an agrarian society to one with less than 1% of the population working on a farm and a food system dominated by industrial agriculture. Gone are victory gardens, but community gardens are sprouting everywhere and accessible in many urban environments. Managing a few acres, devoted to production of crops or animals, is hard work, but rewarding. Like any business operation, research and following a plan should be peppered with trial and error. This presentation will cover land use and zoning, inputs required for a viable farm, marketing, harvesting, and enjoying the profits, tangible and intangible. AGFD 44 Chickpea Inst.: Engaging stakeholders in the agriculture and food industries June-wei Sum, chickpeaInst.@gmail.com. The Chickpea Inst., Washington, DC Support for entrepreneurs in the food and agriculture sectors comes in different forms, one being stakeholder organizations or associations. The Chickpea Inst. encourages dialogue and partnerships between food producers, retailers, consumers, scientists, farmers,

policymakers, and more, around a specific crop. Chickpeas (Cicer arietinum) are an increasingly important commercial cash crop in North America, with increased acreage spurred by consumer demand for healthy protein sources and snacks. The Chickpea Inst. supports both farmers and food manufacturers with information and capacity building needed to participate in a competitive marketplace. In regions of the world where chickpeas are a traditional staple, the Inst. focuses on issues affecting food security, to ensure that chickpeas remain an accessible, affordable, and sustainable food source. Established in 2016, the Chickpea Inst. will discuss good practices in launching an initiative that deals with multiple stakeholders around a set of common interests AGFD 45 Spectroscopic and time-dependent density functional theory investigation of the photophysical properties of zearalenone and its analogs Michael Appell2, michael.appell@ars.usda.gov, Wayne Bosma1. (1) Dept of Chemistry and Biochemistry, Bradley Univ., Peoria, Illinois (2) USDA-ARS, Peoria, Illinois Structures of the mycotoxin zearalenone and its analogs were investigated using density functional theory methods to gain insight into the ground state and excited state properties related to detection. Zearalenone is an estrogenic mycotoxin that can occur in agricultural commodities, and ultraviolet absorbance and fluorescence detection are popular techniques to quantitate levels of contamination. Time dependent density functional studies were carried out on excited state geometries obtained by semi-empirical methods. Calculations indicate that zearalenone (and its tautomeric form) in the anionic or dianionic state possess lower band gap and excitation energies compared to the neutral form. The calculated ultraviolet spectra agree with the experimental spectra. These results suggest that deprotonation of one or more of the phenolic hydroxyls influences the fluorescence detection of zearalenone. AGFD 46 Evaluation of antioxidant and anticancer activities of Psidium guajava component kamepferol Jianyu Su1,2, jysu@scut.edu.cn, Han Hu1, Ping Wu1. (1) School of Food Sci. and Eng., South China Univ. of Tech., Guangdong, Guangzhou, China (2) Departement of Nutrition and Food Sci., Univ. of Maryland, College Park Studies proved that the antioxidant and bladder cancer-fighting properties of psidium guajava are associated with the kaempferol intake. Therefore, the aim of this study was mainly to evaluate the antioxidant and anti-bladder cancer cells activities of kaempferol from psidium guajava, which were determined by the protective effects of kaempferol against AAPH-induced oxidative damage in erythrocytes and its inhibitory effects on EJ bladder cancer cells respectively. Our results demonstrated that kaempferol exerted remarkable anti-hemolytic activity, reduced the accumulation of MDA and ROS, and increased the antioxidant enzymes activity (SOD and GPx) of human erythrocytes to prevent erythrocytes from oxidative damage. Additionally, kaempferol showed significantly antiproliferative activity on bladder cancer EJ cells with IC50 44.7 µM. Further study displayed that kaempferol induced apoptosis on EJ cells accompanied with S phase arrest through the p53 signal pathway. In a word, this study provides the scientific validations of psidium guajave to guide the public to develop a healthy eating habit preventing oxidative injury and cancer incidence. AGFD 47 Isoquercitrin induced metabolism disorders in cancer cells by activating the AMP-activated protein kinase pathway Jianyu Su1,2, jysu@scut.edu.cn, Ping Wu1, Runguang Zhang3. (1) School of Food Sci. and Eng., South China Univ. of Tech., Guangdong, Guangzhou, China (2) Departement of Nutrition and Food Sci., Univ. of Maryland, College Park (3) College of Food Engineering and Nutritional Science, Shaanxi Normal Univ., Xi'an, Shanxi, China The demands for high-level energy-producing and macromolecules via metabolism alteration can be used as a promising therapeutic

strategy for cancers. The main aim of this study was to investigate the anticancer activity and mechanism of isoquercitrin (ISO) induced metabolism disorder through activating AMPK signal pathways. In this study, the exposure of T24 bladder cancer cells to ISO (20-80 µM) decreased cell viability, caused ROS overproduction and Caspase-dependent apoptosis as well as metabolism dysfunction, which were regulated by the AMPK signaling pathway. Metabolic alterations identified by UHPLC-QTOF-MS were shown to evaluate metabolic pathway variation, which elucidated that lipid synthesis, protein synthesis and aerobic glycolysis were altered. The results of western blotting assay indicated that ISO had a mainly effect on metabolism disorder by AMPK activation-dependent in T24 bladder cancer cells. Our findings provided the comprehensive evidence that ISO influenced T24 bladder cancer cells metabolism and that this process was mainly involved in AMPK-activation pathway. This study could lead to an understanding of ISO suppressing cancer cells growth via other relevant biological pathways and if the affected cancer metabolism is a common mechanism by which nutritional compounds suppress cancers. AGFD 48 Study on the antioxidant, bacteriostatic and antitumor acitivities of chili seed oil Yuxiao Wang1,2, 80590237@qq.com, Bin Liu1,2, Xin Wen1,2, Mo Li1,2, KunLi Wang1,2, Yuanying Ni1,2. (1) College of Food Sci. and Nutritional Engineering, China Agriculture Univ., Beijing, China (2) National Engineering Research Center for Fruit and Vegetable Processing, Beijing, China Chili seeds, abandoned in the production of chili powder and chili paste, contain a variety of substances that can lead to useful products. In this paper, the chili seed oil’s antioxidant, bacteriostatic and antitumor acitivities were analysized. 1) IC50 values of antioxidant ability were 2.11 mg/mL in DPPH system and 1.58 mg/mL in β-carotene-linoleic acid oxidation experiment, which both showed that chili seed oil possessed a desirably high activity of antioxidantion. 2) Chili seed oil showed better inhibitory effect on Bacillus subtilis and Shigella flexneri than other bacteria and fungus by evaluating the diameter for inhibitory zone, minimal inhibitory concentration (MIC) and minimal bactericidal concentration (MBC). Scanning electron microscope (SEM) and transmission electron microscope (TEM) showed that membrane permeability of cells was changed and destroyed after the treatment of chili seed oil, which caused the destruction or depletion of cytoplasm. 3) Crystal violet staining (CVS) method showed a siginicifant inhibitory effect of chili seed oil on Hep G2 and MDA-MB-231 cells (P<0.05) in vitro. IC50 values of inhibiting Hep G2 and MDA-MB-231 cells were 0.291 and 0.328 mg/mL, respectively. All these foundings indicate a good antioxidant, bacteriostatic and antitumor acitivities of chilli seed oil, which could be developed or added to functional foods. AGFD 49 Measuring the value of prebiotic fibers on gut health via innovative gut model Susan E. Butler1, susan.butler@tateandlyle.com, Mervyn de Souza1, Andrew Hoffman1, Lisa Spence1, Kavita Karnik1, Kirstie Canene-Adams1, Massimo Marzorati2. (1) Tate & Lyle, Hoffman Estates, Illinois (2) ProDigest, Ghent, Belgium An overwhelming interest in the gut microbiome has led to numerous studies showing possible links to several positive and negative health states. A healthy gut microbiome has the potential to improve immunity, cognitive function, mineral absorption, and general metabolism. Alternatively, an unhealthy gut microbiome could be a contributing factor for chronic inflammation, obesity, allergies, autism, asthma, and cancer. This increased awareness of the gut microbiome has stimulated an increased interest in prebiotic fibers and the role they can play in developing a healthy gut microbiome. Dietary fibers, which are non-digestible carbohydrates, resist digestion and absorption in the human small intestine with complete or partial fermentation in the large intestine, acting as prebiotic products in the functional food industry. . Most

chronic colonic diseases originate in the distal colon, which is often associated with toxic metabolites, such as ammonia, phenolic and sulphur-containing compounds. Consequently, there is a great interest in finding different prebiotics that exert biological activity throughout the entire colon, especially the distal colon. PROMITOR® Soluble Corn Fiber is a unique prebiotic fiber that supports the growth of healthy gut microbiota through all three sections of the colon. Data from a Simulator of the Human Intestinal Microbial Ecosystem model (ProDigest’s SHIME®) will be presented. We believe that PROMITOR® Soluble Corn Fiber has some unique advantages in supporting a healthy gut microbiome. AGFD 50 Modeling the human gut microbiome through in vitro fermentation Laurel Doherty, laurel.a.doherty.civ@mail.mil, Ida Pantoja-Feliciano, Steven Arcidiacono, Katherine Kensil, Kenneth Racicot, Jason Soares U.S. Army NSRDEC, Natick, Massachusetts The gut microbiome is a key modulator of human health, metabolism, and immune function. Extensive study on the role of the microbiome has taken place since its significance was realized, with the majority of efforts characterizing its relationship to healthy and disease states. Unique stressors experienced by the Warfighter, such as sudden changes in diet and sporadic duration of fasted and fed states, have largely been unexplored. Here, we present our efforts to utilize in vitro fermentation as a modelling tool to simulate the gut microbial ecosystem and support Warfighter-centric gut research. In vitro fermentation affords greater flexibility and accessibility compared to animal or human clinical trials and can be utilized to inform in vivo studies. Recent efforts to develop a continuous culture model of the gut microbiome with separate bioreactors to represent each colonic domain will be presented. Use of an automated parallel bioreactor platform enabled real-time monitoring and control of numerous fermentation parameters including pH, anaerobicity, and fermentation volume. Inocula were prepared from fresh fecal donations of three individuals within 2 hrs of collection by processing in reduced phosphate buffer supplemented with glycerol and immediately storing at -20oC. Fermentation was performed utilizing 2% (w/v) fecal inocula in nutrient-rich media at 37oC under controlled anaerobic atmosphere. Colonic domains were simulated separately under batch conditions for 12-18 hours prior to being connected in sequence. The model then operated under continuous culture conditions, with earlier bioreactors in the sequence acting as feed reservoirs for later ones, for over five weeks. Aliquots were removed at discrete intervals to monitor phylogenetic population dynamics via denaturing gradient gel electrophoresis and 16S rRNA sequencing. Comprehensive characterization of phylogenetic changes is currently underway. During the final week of fermentation, a representative dietary input, purified cranberry proanthocyanidin, was introduced at multiple time-points to simulate intake during meals. Use of in vitro fermentation to model the human gut microbiome will enable broader investigation of the effect of Warfighter-relevant stressors on gut health and may act as a precursor to human or animal studies. Insight gleaned from this model, alone or in concert with in vivo studies, can inform nutritional strategies to restore and maintain Warfighter gut homeostasis. AGFD 51 Validation of size exclusion separation following in-vitro digestion to simulate absorption Karen R. Conca, concahead@comcast.net, Katherine Kensil. Combat Feeding Directorate, US Army Natick R D & E Center, Natick, Massachusetts A size exclusion [SE] method to simulate absorption of amino acids [AA] after in-vitro gastrointestinal [GI] digestion was validated. Quantifying essential AAs [EAA] available for absorption is necessary to estimate digestibility which is an important factor in calculating protein quality. Since protein quality can change during high temperature storage, due to protein crosslinking, the Army is interested in studying these effects on high protein rations. The SE

process was tested for separation of protein polypeptides >4 AA units [deemed undigested/unavailable for absorption] from those that are digested [available for absorption], making it possible to estimate digestibility. To validate adequate SE separation and establish bulk fraction collections for the process, whole protein BSA [representing undigested protein], mixed AAs [representing digested protein], and di-tri- peptides [representing partially digested proteins] standards were processed through SE columns [90 x 2.5cm]. Eluent fractions were collected every 10 minutes and were measured by UV/Vis after treatment with the Lowry reagent, or directly measured by UV or HPLC Fluorescence [EX 340/EM 450nm] after pre-column derivatization with OPA reagent. BSA tests confirmed undigested proteins fell within bulk ‘Fraction#1’ [0-215ml] and contained minimal free AAs. Fluorescence data from AAs and di-tri- peptide tests confirmed that digested and partially digested proteins fell within bulk ‘Fraction#2’ [215-470ml] and contained all of the AAs/di-/tri-peptides except for tryptophan. Fraction collections are based on flow rates of columns and to minimize undigested from digested compound overlap. Since, tryptophan was retained on the 90cm column for 660 minutes [850ml] it was necessary to run a second sample on a separate 25cm column to collect tryptophan [170-350ml]. Size exclusion was shown to adequately separate large protein polypeptides from free AAs and small di-tri-peptides. Food samples that are processed with in-vitro digestion models plus SE will more closely represent in-vivo protein digestibility. AGFD 52 Inhibitory effect of adlay oil nanoemulsion on melanin production in B16F10 melanoma cells and zebrafish Hu Yin Ting1,2, a0955539556@gmail.com, Yu Wen Ting1,2. (1) National Taiwan Univ., Taipei (2) Inst. of Food Sci. and Tech., National Taiwan Univ., Taipei The by-product from adlay endosperm processing, oil-rich adlay bran, is frequently extracted and consumed as dietary lipid supplements. In previous reports, the lipophilic fractions from supercritical fluid extracted adlay seeds has exceptional antioxidant activity and, at the same time, could suppress intracellular tyrosinase activity and decrease the amount of melanin in B16F10 cells. Since adlay seeds and adlay oil both are rich in lipophilic components, it is expected that consumption of adlay oil may have skin brightening effect through inhibiting the melanin production. For this reason, we would like to further investigate the inhibitory effect of adlay oil on melanin production using in vitro cell line model, B16F10 cells, and in vivo model using zebrafish embryos. Since adlay oil is insoluble in the aqueous environment, the extracted adlay oil is first encapsulating in an optimized nanoemulsion system for the convenience of later studies. In MTT assay, no significant cytotoxicity appeared in B16F10 melanoma cells was observed after 48-hour treatments of adlay oil nanoemulsion at concentration up to 20,000 ppm. In the melanin contents and tyrosinase activity in B16F10 cells, at 50 ppm level the adlay oil nanoemulsion could reduce the cellular melanin production by 27.28% and also effectively inhibit the tyrosinase activity. In in vivo zebrafish embryos model, the adlay oil nanoemulsion significantly suppressed the melanin contents and tyrosinase activity while not causing toxicity effects on zebrafish, in which the hear-beating rate and mortality rate falls within the normal range. The results from this study indicated that adlay oil is a potential tyrosinase inhibitor and potent skin whitening agent as proven by our in vitro and in vivo screening systems. Moreover, emulsion system is an effective means that allow mechanistically study and to deliver the skin brightening functionality of adlay oil into the living system. Thus, this application is a good example of how bioactive oily extract obtained through by-product revising can be re-cycled and used as dietary supplements whereas proper delivery system could optimized its application.

AGFD 53 Non-thermal plasma enhanced germination and higher gamma-aminobutyric acid (GABA) concentration in brown rice Pei-Fen Chou1, r05641034@ntu.edu.tw, Szu Chuan Shen2, James Wu1, Kuan Chen Cheng1, Yu Wen Ting1. (1) Inst. of Food Sci. and Tech., National Taiwan Univ., Taipei (2) Dept. of Human Development and Family Studies, National Taiwan Normal Univ., Taipei Brown rice contains abundant nutritive and bioactive components including dietary fiber, gamma-aminobutyric acid (GABA, IUPAC name: 4-aminobutanoic acid, C4H9NO2), octacosanol, and oryzanol. In spite of its better nutritional content, brown rice is less accepted by consumers than polished rice due to its hard texture and dark appearance after cooking. Thus, various approaches are developed to improve the texture of the cooked brown rice. Germination is one of the strategies that has been investigated to produce the softer cooked texture of grains and legumes. Moreover, many studied also showed that germination could induce the formation of GABA, which is a non-proteinogenic amino acid that has a high activity to inhibit neurotransmitter in the brain and spinal cord of mammals. GABA was also reported to regulate blood pressure and heart rate, alleviate pain feeling and anxiety, inhibit cancer cell proliferation, and improve memory and learning abilities in rats. In this study, we investigated the use of non-thermal plasma to promote brown rice germination that would increase the GABA content and makes it most presentable for oral consumption. Non-thermal plasma at the power of 20W, 30W, 40W was used. Characteristics including germinating rate, GABA contents, cooking properties, and texture were evaluated. To determine the germination rate, 100 kernels of whole brown rice were placed on each Petri dish, soaked in distilled water, and count after 12, 24, 48, and 72 h. GABA content was measured by HPLC. Cooking property is determined after cooking brown rice in boiling water. The cooking time was optimized by collecting 10 kernels at different time intervals during cooking and analyzed using texture analyzer. The results from this study indicated that plasma treatment significantly elevated germination efficiency of brown rice. Brown rice treated by 40 Watt plasma promote the highest germination rate after 24 hour soaking in water. After non-thermal plasma treatment, GABA accumulation during germination was significantly increased in brown rice. Furthermore, 40 Watt non-thermal plasma treatment decreases hardness and increases adhesiveness measured by the texture analyzer, indicating a good orally textural property of cooked brown rice. To sum up, non-thermal plasma was proven to be a novel and rapid technology that could enhance the germination, GABA accumulation, and better cooked texture of brown rice. AGFD 54 Nano-delivery system for bioactive ingredients using different methods: Structure and release behaviors Situ Wenbei, 842363390@qq.com. College of Food Sci., South China Agricultural Univ., Guangzhou For the purpose of ensuring the bioavailability of bioactive ingredients, a nano-delivery system with low toxicity was developed using supercritical carbon dioxide (SC-CO2) and high pressure homogenizaiton (HPH). Compared to thin-film hydration (TFH), obtaining nano-scale liposomes is easier using SC-CO2 and HPH. The characteristic of these liposomes was also demonstrated by the analysis of particle size and morphology. An in vitro release study showed that liposomes produced using SC-CO2 were resistant to low pH in simulated gastric conditions. In a simulated intestinal environment, enteric solubility of these liposomes was enhanced, which are important properties for controlled releasing bioactive ingredient. The result of liposomes produced using HPH also have been reflected similar tendancy in in vitro releasing test. Furthermore, SC-CO2-produced liposomes had a higher storage stability than those produced using TFH. Analysis of the organic solvent residue in the liposomes by gas chromatography–mass spectrometry (GC-MS) indicated that SC-CO2-produced liposomes had lower toxicity than those produced by TFH. A chemical free nano-delivery system using

SC-CO2 has been revealed for storage and controlled release of bioactive ingredients. AGFD 55 Evaluation of estrogenic activity of novel bisphenol-A alternatives, four bisguaiacol-F compounds Ying Peng1, pengying@udel.edu, Changqing Wu2, Kaleigh Reno3, Mingming Guo2. (1) Animal and Food Sci., Univ. of Delaware, Secane, Pennsylvania (2) Animal and Food Sci.s, Univ. of Delaware, Newark (3) Chemical and Biomolecular Engineering, Univ. of Delaware, Newark Bisphenol-A (BPA), largely used in polycarbonate plastics and polystyrene resins, is considered to be an endocrine disruptor due to its estrogenic activity. Recent extensive kinds of literature have reported the evidence on the relationship between BPA exposure and chronic human disease, including diabetes, obesity, reproductive disorders, breast cancer, birth defects, chronic respiratory and cardiovascular diseases. Therefore, a sustainably sourced, and less toxic BPA alternative is desirable for the manufacture of containers for edible products. Bisguaiacol-F (BGF) is structurally similar to BPA, with two hydroxyphenyl groups. BGF can be synthesized by reacting two derivatives of lignin and is considered as a green alternative to BPA. In this study, estrogenic activity (EA) of four isomers BGF were evaluated at six concentrations (from 10-13 to 10-8 M) by cell proliferation assay. Chemicals with EA activate the ERs and ER-dependent transcription of estrogen-responsive genes, which leads to proliferate of breast cancer cells (MCF-7 cells).The MTT assays revealed that BPA at 100pM, 1nM, and 10nM significantly promoted the in vitro proliferation of MCF-7 cells after exposure for 96 h (p<0.05). The EA of BPA is dose dependent. There is no EA effect of BGF6 and BGF8 at the wide concentration range from 10-13 to 10-8 M, or of BGF1 and BGF4 at 100pM and 1 pM when compared to the no treatment group (p<0.05). Even BGF1 and BGF4 at 10 nM, 1 nM, and 10 pM significantly increased the cell proliferation compared to the no treatment group, the cell proliferation was still lower than that determined at the same concentration of BPA (p<0.05). All the results indicate that both BGF6 and BGF8 are the potential less toxic and sustainable alternatives to BPA. AGFD 56 Sample preparation and analysis of di- and tetra-brominated C18 triacylglycerides (TAG-Br2 and TAG-Br4) in various rat tissues Kellie Woodling, woodlka@gmail.com, Goncalo Gamboa da Costa. FDA/NCTR, Jefferson, Arkansas Brominated vegetable oil (BVO) , a mixture of brominated triacylglycerides derived from the bromination of vegetable oils is used in the beverage industry as a density stabilizer for citrus oil emulsions by raising the density of the emulsions and allowing them to remain evenly distributed throughout the beverage. Current US Food and Drug administration guidelines allow the use of this food additive at a maximum concentration of 15 ppm in the beverages. Methods were developed and validated for the sample preparation and analysis of TAG-Br2 and TAG-Br4 in rat heart, liver, and inguinal fat using UPLC/ESI/MS/MS . The analyses were performed using a Waters I-class UPLC system coupled to a Waters Xevo TQ-S triple quadrupole mass spectrometer equipped with an electrospray interface operating in positive ion mode. Samples were eluted with a gradient of 25 mM ammonium formate in 60:40 water:isopropanol and 25 mM ammonium formate in 10:10:80 water:isopropanol:butanol using a Phenomenex C18 Kinetex column. MRM transitions were optimized for TAG-Br2, TAG-Br4 and the internal standard, hexabromo-trierucin. The method was validated according to the FDA Bioanalytical Guidelines for Industry. Rat tissues and fat were spiked with unlabeled BVO at three concentration levels (50 mg tissue per sample): 0.2, 10 and 200 ppm. These spiking levels corresponded to TAG concentrations in the final sample of 1, 50 and 1000 ng/mL, respectively. Both inter-day and intra-day accuracy and precision

were evaluated, as well as analyte recovery and matrix suppression. AGFD 57 Metabolomic analysis of commercial cranberry supplements John Turbitt1, jturbitt@umassd.edu, Catherine C. Neto1, cneto@umassd.edu, Kim Colson2. (1) Chemistry and Biochemistry, Univ. of Massachusetts Dartmouth, North Dartmouth (2) Bruker BioSpin, Billerica, Massachusetts Potential health benefits of cranberries (Vaccinium macrocarpon) such as urinary tract health, antioxidant, and anti-inflammatory properties, can be attributed to a wide variety of secondary metabolites, including proanthocyanidins (PACs), organic acids, flavonoids and triterpenoids. Commercial cranberry supplements provide an alternative to juices, sauces and sweetened, dried fruit without added sugar. As manufacturing processes for supplements differ substantially, the content of potential health-promoting compounds can be expected to vary widely. Nine commercial cranberry supplements were extracted and analyzed for content of secondary metabolites in comparison to a whole cranberry powder reference standard material, using a combination of 1H qNMR with Bruker Assure-RMS software, HPLC-DAD, and the DMAC assay for total PAC content with procyanidin A2 as a standard. Principal component analysis of the 1H NMR spectra showed overlap between several supplements and whole cranberry powder along PC1 and PC2, but other supplements varied widely from the fruit powder. Among the supplements tested, four had a total PAC content in the range of 5 - 10 mg PAC/g dry weight, one contained 100 mg PAC/g dry weight and the remainder showed no appreciable PACs. Organic acids and flavonoids also varied significantly; several supplements contained only minimal amounts of these metabolites. Two anti-inflammatory constituents of cranberry peel, ursolic acid (8.0-16.3 mg/g) and oleanolic acid (0.3-5.1 mg/g), were detected in the whole cranberry reference standard and in four and six of the nine supplements, respectively. Overall, the study results suggest significant variation in phytochemical composition among cranberry supplements, reinforcing the need for reliable industry standards. AGFD 58 Mechanistic analysis of arylalkylamine N- acyltransferases in Tribolium castaneum: A possible target to control crop destruction caused by the red flour beetle Brian O'Flynn, oflynnb@mail.usf.edu, David J. Merkler. Chemistry, Univ. of South Florida, Tampa The red flour beetle (T. castaneum) and its close relative the confused flour beetle (T. confusum) are probably the most common secondary pests of all plant commodities in the world. This large-scale destruction stems not from their consuming of the grain, but rather the knock-on effect of living in the grain storages. This results in the inevitable substantial economic damage due to loss of the market price of the product and decreased nutritional value. Thus, the agricultural significance of T. castaneum is apparent. By better understanding these organisms, we will identify novel targets to counteract the startling levels of agricultural damage that they cause.We propose a possible route to develop a novel type of insecticide for T. castaneum based on the study of one class of enzymes, the arylalkylamine N-acyltransferases (AANATs). These enzymes catalyse the N-acylation of biogenic amines to form the N-acylarylalkylamines from the corresponding acyl-CoA. In T. castaneum, AANATs are involved in melanism, as well as sclerotisation of the cuticle by the N-acetylation of amines to provide reactive quinones. In other insects, AANATs play a role in biogenic amine inactivation by N-acylation. In addition, the N-acylalkylamines act as potent neurotransmitters and neuromodulators through their binding to specific receptors. For example, the AANAT-catalysed acylation of serotonin, and subsequent methylation to form melatonin, is the rate limiting step in circadian rhythm. T. castaneum has thrived off the stored cereal grains produced, despite all efforts. A relative arsenal of allelochemicals have been exploited to negate the damage caused by these beetles,

including inhibitors of serine and cysteine peptidase digestive enzymes. These efforts have, at best, been only partially successful, to date. Presented here is kinetic analysis and understanding of the roles of AANATs in T. castaneum, allowing us to expand into inhibitor studies and a pathway to insecticide design. AGFD 59 Metabolomic analysis and variation in phytochemical composition among North American cranberry cultivars Liang Xue1, lxue1@umassd.edu, Andrew Milstead1, Kim Colson2, Catherine C. Neto1, cneto@umassd.edu. (1) Chemistry and Biochemistry, Univ. of Massachusetts Dartmouth, North Dartmouth (2) Bruker BioSpin, Billerica, Massachusetts Cranberries, Vaccinium macrocarpon, are cultivated across several regions of North America. Reported bioactivities of cranberries include antibacterial and antioxidant, with benefits for urinary tract, cardiovascular and gut health. The content of secondary metabolites in the fruit can vary due to factors such as climate, temperature, humidity, cultivar, and disease-related stress; thus a better understanding of how these factors impact composition is desired. Cranberry fruit of multiple cultivars was collected from Massachusetts and Oregon bogs during two growing seasons. Quantitative 1H NMR (qNMR) methods using Assure-RMS software (Bruker Biospin) were developed to quantify triterpenoids and organic acids not easily detected by absorbance-based methods. These include anti-inflammatory compounds ursolic and oleanolic acid, as well as citric, malic, and quinic acids. Cultivar and seasonal differences in these acids were observed. 1H NMR combined with PCA provided non-targeted analysis of variation in fruit composition among samples, revealing similarities and differences between some cultivars, e.g. Demoranville and Mullica Queen, vs. Crimson Queen. Cranberry flavonols including quercetin-3-galactoside were determined by HPLC-DAD. Mullica Queen fruit was highest among the cultivars collected in 2011, which averaged 3.4 ± 0.4 mg total flavonols per g dry weight. As flavonols, anthocyanins and other compounds in cranberries are antioxidants, a microplate DPPH assay was developed to measure free-radical scavenging antioxidant activity and look for correlations with fruit composition. The goal is to establish relationships between the health-promoting properties and phytochemical profile of cranberry. AGFD 60 Comparison of dissipation ratio between metconazole and myclobutanil in dropwort Seong-hyun Hong1, sunghyun0326@naver.com, Jeong-In Hwang1, Sang-Hyeob Lee1, Se-Yeon Kwak1, Min-Su Kang1, Ja-Gun Kang1, Jun-Sang Ryu1, Kee-Seong Kyung2, Jang-Eok Kim1. (1) School of Applied Biosciences, Kyungpook National Univ., Daegu, Korea (the Republic of) (2) Environmental Sciences, Chungbuk National Univ., Cheongju, Korea (the Republic of) This study was to investigate the time dependent residual changes of systemic pesticides metconazole and myclobutanil in dropwort, and to compare the disspation rate and ratio with the initial residue based on the physicochemical characteristics of pesticides. Metconazole (20%, SC) and myclobutanil (6%, WP) were diluted 3,000 times and 1,500 times, respectively and sprayed 3 times at 7 days intervals on prior to harvest day. Residual amounts of metconazole and myclobutanil were analyzed by LC/UVD and GC/ECD, respectively. Recovery rates for residual analysis spiked with 0.4 and 2.0 mg/kg were 80.1-94.3%, and less than 10% of coefficient variation. Residual amounts of metconazole and myclobutanil were reduced from 2.15 to 0.87 and from 1.96 to 0.38 mg/kg, respectively. First order dissipation rate constants for metconazole was 0.008 and myclobutanil was 0.017. During the experimental period, the dissipation ratio versus initial residue amounts was found to be higher in myclobutanil (80.61%) than in metconazole (59.53%). Generally, pesticides with high solubility in water and low log P values are more likely to be lost due to high mobility in water or soil after spraying. The solubility of

myclobutanil (132 mg/L at room temp.) was about 4 times higher than that of metconazole (30.4 mg/L at room temp.) and the log P value was 2.94 that is lower than metconazole (3.85). These results are consistent with above results, which suggests that the physicochemical properties of pesticides affect the residual characteristic. AGFD 61 Characterisation of bioactive grape and wine metabolites through a combined organic, analytical and computational approach Shi Min Tan2, stan500@aucklanduni.ac.nz, David Barker3, Bruno Fedrizzi1. (1) The Univ. of Auckland, New Zealand (2) Chemical Sciences, Univ. of Auckland, New Zealand (3) School of Chemical Sciences, Univ. of Auckland, New Zealand C13-norisoprenoids are carotenoid-derived aroma compounds responsible for the characteristic aroma and flavors of wine. The majority of C13-norisoprenoids present in grapes exist either as free volatiles or as non-volatile glycoconjugates. These glycoconjugates can undergo either acid or enzymatic hydrolysis during wine aging to release odor-active volatiles or aglycones responsible for wine flavors. However, questions and challenges lie within understanding the complex transport mechanisms of glycoconjugates from grapevine tissues to grape berries. This research aims to investigate C13-norisoprenoids glucosides and the corresponding chemical pathways for their formation in grapes and as wine metabolites. A combined approach involving the total synthesis of deuterated forms of the glucosides (Figure 1) resulted in isotopically labelled internal standards for mass-spectrometry (MS) quantification against extracted and purified version of these molecules from natural sources. In addition, computational modelling by high-level quantum chemical modelling will provide complementary structural, energetic and dynamic details to support MS fragmentation mechanisms. AGFD 62 withdrawn AGFD 63 Assessing the stability of lutein in model food systems supplemented with spinach powder Katherine Kensil, katherine.r.kensil.civ@mail.mil, Karen R. Conca. Combat Feeding Directorate, US Army Natick R D & E Center, Natick, Massachusetts Supplementation of spinach powder into military rations is of interest to the Army because of lutein’s antioxidant activity in preventing light damage to the retina and enhancing photo-stress recovery. However, retained efficacy after long-term storage [3 years at 80oF; military required shelf life] is unknown. The stability of lutein was assessed in three model systems, a macronutrient balanced bar [20g] and a bread roll [60g] at two pH levels [3.8 and 5.8] and an energy gel [60g] at pH 3.8. 400mg of spinach powder (containing 104ug of lutein) was incorporated into each sample. Accelerated storage studies were conducted to assess stability @120oF for 4 weeks and 100oF for 6 months. Extraction and analytical quantification of lutein was conducted to determine losses due to storage. Analytical procedures were performed under yellow lights and an internal standard (trans-β-apo-cartenal) was used. Two extraction methods were developed. For bars and breads, lutein was extracted from samples using methanol. A second extraction method which used a two-step solvent extraction with methanol then diethyl ether was developed for gels because the product contained ~6% canola oil. Lutein was quantified using HPLC with UV/Vis detection @450nm. All 0 time samples were found to contain expected concentrations of 104 +/-10.4ug. No decreases in lutein were measured in the low pH bar after 4 weeks, and only 15% after 6 months. In comparison, the high pH bar lost >40% in both storage conditions. In bread rolls, a decrease of 25% was seen in high pH, and 70% for low pH samples after both storage studies. The low pH gel had a 42% loss at 4 weeks and 85% reduction at 6 months. In future studies, a prototype bar will be developed specifically for incorporation of spinach powder guided by sensory attributes and stability tests.

AGFD 64 Comparative metabolite profiling of Solanum lycopersicum leaves exposed to herbivore damage and the phytohormone jasmonic acid Macey Cohen1, Jason D. Smith2, Amy E. Witter1, witter@dickinson.edu. (1) Chemistry, Dickinson College, Carlisle, Pennsylvania (2) Biology, Dickinson College, Carlisle, Pennsylvania Plants experience a variety of external environmental stressors such as drought, poor soil quality, temperature fluctuations, increased carbon dioxide levels, and insect attack that can affect overall agricultural yield. In order to understand how plants respond biochemically, effort has been directed towards studying signaling and response pathways to these insults. Defenses against caterpillars and other chewing herbivores are regulated by the plant hormone jasmonic acid (JA), which can trigger changes in levels of defensive proteins and secondary metabolites such as the glycoalkaloids found in tomato (Solanum lycopersicum) leaves. JA may therefore have a role to play in crop protection, but JA-induced metabolite changes can differ from those induced by herbivores because herbivores are known to induce and/or suppress specific compound blends. The present study examines plant responses for tomato plants exposed to external JA applications and to attack by Spodoptera exigua (4th instar caterpillars) by measuring glycoalkaloid metabolite profiles for treated and untreated plants. Tomato leaves that had been damaged by S. exigua larvae showed a 57% decrease in α-tomatine levels compared to control plants. In contrast, tomato leaves exposed to JA showed a 467% increase in α-tomatine concentrations compared to controls. Although insect attack led to tomatine reduction rather than induction, greater diversity was observed in metabolite spectra obtained from these plants. These data highlight the specific responses of tomato to S. exigua and raise the possibility that these herbivores are able to suppress one of the metabolites induced by jasmonic acid. AGFD 65 Utilization of crop residue processing factor compilations for human safety assessment residue data strategy development Coleen K. Kingston, coleen.k.kingston@dupont.com. DuPont Crop Protection, Newark, Delaware Value for leveraging existing extensive information and expenditure of resources for provision and evaluation of residue data on crops is long held in the crop protection product industrial and regulatory arenas. Given this, recent upgrades in crop residue processing factor compilations, made publicly available by multiple regulatory authorities, offer an avenue by which to further optimize the value of existing information for purposes of human safety assessment under the test guidelines of the Organization for Economic Cooperation and Development (OECD). Compiling authorities are the Netherlands National Inst. for Public Health and the Environment (ChemKAP) and the German Federal Inst. for Risk Assessment (BfR), who have incorporated publicly available and/or quality-checked registrant global data sources. Two scenarios are presented to illustrate processing factor compilation analyses for forward movement of residue data strategy development: 1) observed processing factors across commodities for a given processing procedure type – selected fruit pomaces; 2) trends in physical-chemical properties for active ingredient analytes exhibiting concentration of residues for a specific processing procedure – sugarcane processing. AGFD 66 Further characterization of IBU calculators using additional OG worts Nick O. Flynn, nflynn@wtamu.edu, James Welbaum. Chemistry and Physics, West Texas A&M Univ., Canyon, Texas The use of various online calculators for brewing is common practice when generating a beer recipe. One that is often used is the IBU (International Bitterness Units) calculator. This calculator is used to report the IBU value of a beer based on several parameters. Even though calculators differ by parameter inputs as well as functionality, common information is original gravity (OG), pre/post

boil volume, alpha acid content of hops used, and boil time for each specific hop addition. This study is a continuation of a previous study that compared the predicted IBU of malt extract-based worts ranging in OG from 1.001 to 1.095 to measured IBU using an organic extraction method. The current study finished out the wort OG analysis by testing additional OG values that were not previously tested. Furthermore, we examined if carbohydrates were the factor affecting these differences by generating worts using cane sugar as the sole source of carbohydrates in the wort. Results from this study determined that wort OG values less than 1.050 were not accurately predicted using an IBU calculator. Additionally, worts generated with cane sugar as the sole source of carbohydrate had significantly higher measured IBU values compared to predicted values compared to traditionally generated worts. These findings are important to brewers for three reasons. The first reason is that the OG range of many commonly produced beers are within the values 1.040 and 1.050. The second important finding is that IBU values predicted strictly on the basis of carbohydrate content may not be entirely accurate. The third reason is that brewers may need to adjust wort recipes for desired IBUs when the recipe calls for a large amount of straight carbohydrate additions. AGFD 67 Formation of savory flavors through reaction flavor system in the enzymatic hydrolysate of soy sauce residue and defatted soybean Yong-Jun Cha, yjcha@changwon.ac.kr, Wenfeng Wang. Food and Nutrition, Changwon National Univ, Changwon, Korea (the Republic of) Soy sauce residue (SSR) is a soy sauce by-product produced in much quantity during the filtration processing of soy sauce. SSR would be used as a good precursor to make flavoring agents because of its high contents of nitrogen compounds (>20%). If the optimal processing method is applied to SSR, it should be an advantage to reduce cost down in developing of flavoring agents. The objective of this study was to determine optimal reaction flavoring (RF) condition for enzymatic hydrolysate of SSR and defatted soybean and to compare flavor compounds produced in RF model. The reactants were prepared by adding of 0.33% (w/v) glutamic acid and 0.5% (w/v) fructose to total mixed volume of enzymatic hydrolysate of SSR and defatted soybean (1:1 ratio, v/v). Optimal reaction conditions were determined using response surface methodology (RSM) combined with RF technology. Using three variables (arginine, methionine and glycine), RSM consist of 19 experiences based on a five-level central composite design was applied to evaluate quantitative descriptive analysis (QDA) of sensory acceptance (odor) as a dependent variable. Volatile flavor compounds were analyzed by solid phase microextraction/gas chromatography/mass selective detector (SPME/GC/MSD). A model equation obtained from RSM showed 0.92 of R-square for the odor (savory). Predicted odor score, however, was 4.26 in the stationary point. From the ridge analysis for accepting high score, the optimal flavoring conditions were 0.68% (w/v) of arginine, 0.37% (w/v) of methionine and 0.86%(w/v) of glycine into the reactant with RF (120 min at 93oC). Odor score obtained under optimal condition was 5.66, which was higher than the predicted value. Dimethyl disulfide and methional were predominant sulfur-containing compounds that newly formed through RF and increased 97.3 times compared to the control (P<0.05). The amount of aldehydes and ketones increased 2.3 times, while acids significantly decreased 6.1 times through RF (P<0.05). AGFD 68 Laboratory kitchen sink: Determining appropriate internal standards for HS-SPME-GC-MS volatile profiling in plant mapping populations using post hoc evaluations Elizabeth A. Burzynski1, eab54@cornell.edu, Bruce I. Reisch2, Gavin L. Sacks1. (1) Food Sci., Cornell Univ., Ithaca, NY (2) Plant Breeding & Genetics, Cornell Univ., Ithaca, NY Both non-targeted and targeted volatile profiling of plant samples, e.g. for phenotyping of plant breeding populations, are often performed via headspace-solid-phase

microextraction (SPME) coupled to GC-MS. Although HS-SPME is rapid and convenient, it is also well-known to suffer from matrix effects, and best practices recommend the use of well-matched (preferably isotopically labeled) standards. However, because of the large number of volatile targets in profiling studies, researchers commonly use a single surrogate standard, with the assumption that relative matrix effects are sample independent, i.e. that the matrix effect has no Sample × Compound interaction. We have recently demonstrated that this assumption is incorrect; work on an interspecific grape (Vitis sp.) mapping population showed that relative HS-SPME-GC-MS responses of internal standards ranged from 29% RSD to 343% RSD (relative standard deviation). Alternate strategies which attempt to design ad hoc models to correct for matrix effects are not appropriate for plant mapping populations in which the critical matrix components are not well defined. We propose an alternate strategy in which a cocktail of non-native internal standards is spiked into a plant sample prior to HS-SPME-GC-MS analysis. A post-hoc analysis is then performed for each Analyte × Internal Standard combination across the population. The best internal standard for each analyte is defined as the standard that results in the smallest variance. This general approach can be used both to determine the best internal standards as well as to detect the presence of Sample × Compound interactions in HS-SPME matrix effects. AGFD 69 Production of seasoning flavors in the hydrolysate of soy sauce residue using reaction flavor technology Yong-Jun Cha, yjcha@changwon.ac.kr, Wenfeng Wang. Food and Nutrition, Changwon National Univ, Changwon, Korea (the Republic of) Soy sauce residue (SSR) is a processing by-product of brewing soy sauce which is a favorite condiment for a long time in Asia region. SSR would be used as a good precursor to make flavoring products because of its high contents of protein (>20%), peptides and amino acids. However, in Korea, it has been discarded without suitable application or has only been partially used as feeding source on account of high salt content. The objective of this study was to determine optimal reaction flavor condition (RFC) using response surface methodology (RSM) and to compare flavor compounds produced in the hydrolysate of SSR. Experimental base (EB) was used the enzyme and acid hydrolysate of SSR (1:1 ratio, v/v) by adding of 0.33% (w/v) glutamic acid and 0.5% (w/v) fructose to total mixed volume. Using three independent variables (proline, methionine and glycine), RSM consist of 19 experiences based on a five-level central composite design was applied to evaluate quantitative descriptive analysis (QDA) of sensory acceptance (odor and taste) as dependent variables. Volatile flavor compounds were analyzed by solid phase microextraction/gas chromatography/mass selective detector (SPME/GC/MSD). A model equation obtained from RSM showed 0.82 of R-square for the taste (sum of smoke and nutty) and 0.76 for the odor (savory). Predicted odor score, however, was 5.21 in the stationary point. From the ridge analysis for accepting high score, the optimal flavoring conditions were 0.97% (w/v) of proline, 0.41% (w/v) of methionine and 0.42%(w/v) of glycine into EB for 120 min at 93oC, and obtained 5.61 of odor score. A total of 17 volatile compounds, including 11 sulfur containing compounds, 2 furans, 2 esters and 2 carbonyl compounds, were newly formed through RFC. Dimethyl disulfide, dimethyl trisulfide and methional were predominant sulfur-containing compounds formed through RFT, while aromatic compounds decreased through RFT (P<0.05). AGFD 70 Atmospheric cold plasma causing chemical and physical changes on ginseng surface increasing yield of ginsenosides extraction Ray Wang, r05641021@ntu.edu.tw, Yu Wen Ting. Inst. of Food Sci. and Tech., National Taiwan Univ., Taipei Developing non-thermal extraction method has become an emerging interest among researchers since many of the plant-based bioactive components are heat-sensitive. Cold plasma is regarded as a novel

non-thermal food processing technology that currently applied in food to inactivate pathogenic and spoilage microorganisms on the surface of meats, poultry, fruits, and vegetables. Cold plasma contains energetic, reactive ionized gas that allows it to possess strong surface etching and striping ability through inducing rapid chemical reactions. Ginseng is a slow-growing perennial plant and has been used as herbal medicine since 2000 years ago. Many studies have reported that ginseng contains a wide variety of biologically active constituents such as ginsenosides. In this work, a novel extraction technology assisted by cold plasma is developed using ginseng as modeling system, from which the efficiency of such method to extract the bioactive components from the solid plant matrix is evaluated. Fresh ginseng was sliced into pieces, each of which is 2 mm, and then randomly divided into three experimental groups. In the first group, fresh ginseng was simply dried using conventional oven. The second group was processed by steaming and drying following the traditional procedure that produced red ginseng known to have better bioactivity. The third group is first treated by cold plasma and then dried at conditions similar to the two previous groups. Later, the surface of ginseng slices were studied using scanning electron microscopy(SEM) and Fourier transform infrared spectroscopy (FTIR). Later, all prepared slices were extracted with 70% ethanol for 24 hour in the shaking incubator at 70°C. The extracts were then filtered and the bioactive components were determined by HPLC. The results showed that the chemical properties of ginseng surface were modified by plasma treatment and the concentration of ginsenosides extracted were significantly higher compared to untreated groups (white ginseng or red ginseng). According to the result, cold plasma is definitely a good potential technology to be developed into a novel non-thermal extraction processing from plant-based materials. Therefore, this present work would definitely lay the important fundamentals for the future application of cold plasma technology in extraction related processing. AGFD 71 Cold Plasma pretreatment modified the chemical properties of grape surface: Enhancing the drying rate and final raisin quality Chien-Chih Huang, r04628205@ntu.edu.tw, James Wu, Yu Wen Ting. Food Sci. and Tech., National Taiwan Univ., Taipei Raisins are dried grapes usually through sun drying, shade drying, or mechanical drying. Due to its good flavor and high nutritional value, raisin is a popular snack and is also used as part of many other food products. Since grape epidermis contain a waxy layer, the removal of water from grapes is difficult, which makes the drying of grapes a very slow and complicated process. To overcome this problem, most of the grapes are pre-treated with soaking chemicals to crack or dissolve the waxy layer before drying. However, the use of chemical may result in the presence of unwated residual materials in the end product. Plasma, a neutral gas in an ionized state that consists of a large number of different species such as electrons, positive and negative ions, free radicals, and gas atoms. These active particles have great energy that collide with the target, on which the surface is etched and stripped through rapid chemical reactions. Non-thermal plasma, also called cold plasma, can channel energy to produce high-energy particles that remains near the room temperature making it a good alternative to process heat-sensitive materials. Currently, cold plasma is used as a novel food processing technology that uses highly reactive gases to inactivate microorganisms in food and could be extended to other area such as food drying. The objective of this study is to investigate the potential of reducing drying time through changing the chemical properties of the waxy grape surface using cold plasma treatment. The change in the structural and chemical properties of the grape surface is observed using scanning electron microscopy(SEM) and Fourier transform infrared spectroscopy (FTIR). The effect of cold plasma pretreatment on the drying rate and other quality parameters like color, appearance, total soluble solids

(TSS) were compared with that to the chemicals soaking pretreated, untreated and peeling-treated raisin dried at 70 degrees Celsius. The result from this study indicated that cold plasma is an effective drying pretreatment that can effectively decrease the drying time by more than 50% while maintain great product quality. This work is by-far the first to demonstrate the application of cold plasma technology in food drying and could be used for future reference to further applied to other fruits and vegetables which contain heat-sensitive factors or functional ingredients. AGFD 72 Protein-based food models developed to assess formulations for losses in amino acids due to protein crosslinking during storage Karen R. Conca, concahead@comcast.net, Katherine Kensil. Combat Feeding Directorate, US Army Natick R D & E Center, Natick, Massachusetts Protein-based food models with varying levels of sugar and fat were tested for protein crosslinking after accelerated storage [100oF for 0, 3, and 6 months; equivalent to 3 years at 80oF]. The Army is interested in studying storage effects on protein quality in military rations. A chicken, pea and carrot homogenized retorted food model was developed to represent a wide variety of MRE meat entree rations. The nine formulations contained ~11.5% protein with 3 levels of fat [0, 5 & 15% added] and 3 levels of sugar [0, 3.5 & 7% added] to vary the extent of the Maillard reaction or protein crossing linking during storage. Two analytical approaches were conducted, one which profiled amino acids by using acid hydrolysis (AOAC 994.12) and alkaline hydrolysis (AOAC 988.15) methods, followed by derivatization with HPLC analysis and the second measured percent nitrogen [N%] using the Dumas combustion method. Data generated from these two analytical methods were used to determine losses due to cross linking. Amino acid profiles showed chemical losses of 5-13% in lysine [significant in 5 formulations] and 6-9% in tryptophan [significant in 1 formulation] after 6 months storage. In comparison, total N% remained nearly constant during storage and losses ranged from 0-0.53% [significant in 2 formulations] with minimal indication of actual nutritional losses due to reduced essential amino acids [EAA]. Trends for decreasing lysine were seen within variables which had the highest level of sugar and lowest level of fat. Similarities in lysine losses were seen in those formulations where ratios of fat:sugar was <1. Also no significant decreases were seen in the variables where ratios of fat:sugar were >2. A loss in EAAs is equivalent to a reduction in complete protein which was generally not detected by N%. Future studies include processing samples through in-vitro digestion to determine digestibility. AGFD 73 Increasing the solubility of meat and bone meal protein for potential flocculant applications Ryan M. Marsico, ryan.marsico@ars.usda.gov. Biobased and Other Animal Co-Products, USDA, Wyndmoor, Pennsylvania Meat and Bone Meal (MBM) is a proteinaceous material produced from rendering the fat of animal tissue. MBM generally consists of the bones and offal of slaughtered livestock (approximately 50% protein) and is not typically consumed by humans. While MBM has traditionally been used for animal feed, new applications of MBM include utilizing its protein as a renewable biocompatible flocculating agent that could potentially replace environmentally harmful synthetic flocculants. Additionally, the functionality of MBM protein makes it an attractive flocculant option, but it is challenging to solubilize. Previous studies have been able to solubilize up to 55% of poultry MBM protein, but only ~5-35% of other species. This study analyzed mixed species MBM protein solubilizing strategies that are often used to extract proteins from animal products (e.g. meat and hair) such as oxidation, reduction, hydrolysis, denaturation, and combinations of each. Our preliminary tests found that reducing agents (e.g. sulfide) were the best strategy for solubilizing MBM protein. Oxidizing agents such as sodium percarbonate were not as successful at solubilizing MBM

protein (<5%). The use of high pressure and temperature treatment strategies to solubilize MBM protein were also explored. AGFD 74 Mechanistic studies of protein tyrosine kinase activation by heavy metal ions Yousef Ahmadibeni, bebinam9@gmail.com, Sujata Guha. Dept. of Chemistry, Tennessee State Univ., Nashville Cadmium (Cd), arsenic (As), cobalt (Co), lead (Pb), and nickel (Ni) are toxic metals which are present in food supplies drive from plants and animals with elevated levels beyond those approved by the US Food and Drug Administration (FDA). These metals are known as carcinogens that are believed to play an important role in the development of certain cancers such as skin, lung, and bladder tumors. These environmental toxicants can be detrimental to plants and animals, affecting the quality of products, such as vegetables, eggs, dairy products, meats and fish. The exact molecular mechanisms of metals-induced toxicities are not well understood. The mechanism of interaction between toxic metals (e.g., Cd, As, Co, Pb, Ni) and tyrosine kinases have been analyzed by molecular modeling. These toxic metals bind directly to cellular signaling proteins such as tyrosine kinases through a metal-binding site, thereby inducing conformational changes in those molecules, modulating their activities, and leading to toxic effects. These studies demonstrate that the side chain of the conserved cysteine residues in the CT lobe of Src kinases coordinate with toxic metals and lead to conformational changes. AGFD 75 Separation of iron from egg yolk by aqueous extraction of phosvitin or ethylenediaminetetraacetic acid (EDTA) treatment Jiandong Ren, jr2@ualberta.ca, Jianping Wu. Univ. of Alberta, Edmonton, Canada Egg yolk is well known for excellent functional properties and great nutrition values. However, the high amount of iron in egg yolk could induce oxidation and unpleasant flavour to processed food products during storage. It remains a challenge to reduce the oxidation since iron is strongly bound to phosvitin, the highly phosphorylated protein in yolk, and therefore difficult to be removed. In this tudy, two experiments using Ethylenediaminetetraacetic acid (EDTA) treatment or phosvitin extraction were proposed to separate iron from yolk and maintain the functionality at the same time. Iron content was determined by atomic absorption spectrometry. Oil droplet size and flocculation index (FI) were determined by a Mastersizer to reflect the functional properties. EDTA is a strong chelating agent and legal food additive in many countries. The first experiment showed addition of 0.025 M EDTA to egg yolk could separate 90.6% iron into a supernatant fraction with ~10% of dry mass of egg yolk. The pellet, which recovered ~90% of dry mass and 18.4% iron from egg yolk, showed comparable/better oil droplet size (0.7) and FI (9.4) with native egg yolk (oil droplet size of 11.3, FI of 8.9, smaller droplet size is favourable for emulsifying property). The protein/lipid contents of pellet were similar with native egg yolk. The second experiment was aimed to separate iron by extracting phosvitin from egg yolk. The phosvitin fraction recovered almost 100% of phosvitin with 84.5% of iron from yolk. The other two fractions (plasma and pellet) after extraction each contained less than 10% of iron from egg yolk. The oil droplet size and FI of plasma were11.0 and 7.9, and pellet were 12.6 and 8.6, which were all comparable with those of native egg yolk. Iron induced oxidation is always a problem for food products containing egg yolk. This study suggested that both EDTA treatment and phosvitin extraction could efficiently separate iron from egg yolk and maintain the functional properties. Both approaches have great potential to be applied in food processing with egg yolk. AGFD 76 Risk assessment of food additives and packaging Heather E. Dover1, doverhea@msu.edu, Michael P. Holsapple1, Susan E. Selke2. (1) Center for Research on Ingredient Safety, Michigan State Univ., East Lansing (2) School of Packaging,

Michigan State Univ., East Lansing For consumers, how food is packaged does not rate as highly as whether there are chemicals in a food, but packaging can influence the chemical constituents of a food. Migration of chemicals from packaging materials to a food may involve deliberate additives of various types that are included to provide specific benefits, or may involve inadvertent contaminants such as processing residues or components of recycled material streams. Incorporation of nanoparticles into packaging materials may raise particular concerns. How one approaches evaluating the safety of those chemical additives affects the characterization of the risk. Determining whether the mere presence of a chemical is a risk or whether the benefits outweigh the risks is key to determining the appropriate approach to the evaluation of safety for chemical additives or ingredients. Effectively communicating that risk and helping the public understand the uncertainties is also key to their acceptance of new products and packaging technologies. The Center for Research on Ingredient Safety (CRIS) at Michigan State Univ. aims to help the public, regulatory agencies, and industry leaders make informed decisions about chemical ingredients. CRIS is working to make that aim a reality by promoting an open dialog with the public, training scientists who understand ingredient safety, and being a source of unbiased scientific research on the safety of ingredients used in food and consumer products. AGFD 77 Analysis of flame retardants: A survey of food contact materials Rafael Paseiro Cerrato, Rafael.Cerrato@fda.hhs.gov, Luke K. Ackerman, Lowri Dejager, Timothy Begley. Analytical Chemistry, US-FDA Center for Food Safety & Applied Nutrition, Baltimore, Maryland Plastic materials are used for a large variety of commercial products, including household devices, automobile part, medical devices, and also for food contact materials. Plastic disposal has become an important environmental concern since, in general, plastics are not biodegradable and may remain unaltered for several years. One alternative to avoid plastic waste is the recycling process which avoids the manufacture of new plastics as well as their disposal to the environment. Flame retardants are substances used to decrease the flammability in several types of materials. These compounds are often used as additives in the manufacture of furniture, plastics, construction materials, etc. Several of these compounds are known to be persistent, bio-accumulated and/or have toxic effects in animals. Recently, some flame retardants have been found in food contact materials (FCMs). These compounds were most likely present in recycled plastic FCMs because of electronic waste (WEEE) contamination during the recycling process. In this study an analytical method for determination of flame retardants was developed. The method was validated in terms of LOD, LOQ, correlation coefficient as well as relative standard deviation. The method was applied for a survey in the US market for determination of the incidence of flame retardants in FCM. AGFD 78 Effects of high pressure processing on chemical migration in PET Yoon S. Song1, yoon.song@fda.hhs.gov, John L. Koontz1, Yue Zhou2, Karthik Pillai1, Jian Ding2. (1) FDA, Bedford Park, Illinois (2) Illinois Inst. o, Bedford Park High pressure processing (HPP) continues its growth as an alternative method of food preservation for its added benefits of improved product quality. The lack of comprehensive studies of additive migration from the packaging material into food after treatment by HPP and the ambivalent results of some migration experiments, however, has led the FDA to initiate research on the migration properties of materials after HPP to address the perceived gap in the scientific knowledgebase. This study was performed to determine changes of migration properties in PET during and after high pressure processing through a systematic approach. PET pellets were loaded with four surrogate compounds (methyl salicylate, phenylcyclohexane, methyl laurate, and benzophenone), followed by melt compounding and cast

extrusion into thin films. Ultrasonic extractions of sample films in methylene chloride were analyzed by GC/MS to quantify initial surrogate concentrations. The overlapping temperature profile at 121°C was developed to isolate the pressure effect of HPP at 700 MPa for 5 min from the equivalent thermal process at atmospheric pressure (0.1 MPa). Headspace GC/MS was used to quantify percent migration of surrogate compounds from loaded PET films into Miglyol 812 during HPP and thermal processing (TP), and subsequent storage at 40°C for 10 days. Results from the study showed that HPP significantly decreased migration of the surrogates from PET films into Miglyol when compared to TP. Total migrations after HPP and TP were 0%-4% and 26%-44%, respectively. After the extended storage, the overall migration of the surrogates into Miglyol increased 3%-4%. The differences in migration rates of the selected surrogates in Miglyol, however, were not significant among HPP treated, TP treated, and/or untreated film samples. Migration data acquired from this study confirmed that there are no significant safety issues related to chemical migration concerning the use of HPP in production of prepackaged foods. AGFD 79 Fatty acids contents and expanded uncertainty of infant formulas by gas chromatography Dongwon Seo1, dwseo@kfri.re.kr, Jinbong Hwang1, Seunghee Kim1, Byung-Joo Kim2, Joonhee Lee2. (1) Food Analysis Center, Korea Food Research Inst., Seongnam, Korea (the Republic of) (2) Division of metrology for quality of life, Korea Research Inst. of Standards and Science, Daejeon, Korea (the Republic of) Fatty acids are essential components of infant nutrition. The arachadonic acid (AA) and decosahexanoic acid (DHA) are currently attracting a considerable amount of attention due to their pivotal role in development. DHA and AA were important constituents of neuronal membranes and blood vessels in the brain. Fatty acid methyl esters were prepared with sodium methylate and methanolic boron trifluoride and extracted into isooctane following the method modified by AOAC 991.39. Quantitative analysis of the fatty acids was conducted by GC equipped with a 30 m x 0.25mm i.d. HP-FFAP fused silica capillary column and a FID. The uncertainty provided with the value was an expanded uncertainty about the mean to cover the measurand with approximately 95% confidence. The expanded uncertainty was calculated as U=kuc, where uc represents the combined uncertainty, consistent with ISO guide, and k was a coverage factor corresponding to approximately 95% confidence. This method provided good correlation (r<0.9995) and accuracy (<10.2 %) within the test ranges. Contents and expanded uncertainty of linoleic acid, arachidonic acid, alpha-linolenic acid, gamma-linolenic acid, oleic acid, DHA, EPA and stearic acid were 47346.91±3614.69 mg/kg (k=2), 597.88±18.49 mg/kg (k=2), 3787.98±162.11 mg/kg (k=2), 213.01±7.84 mg/kg (k=2), 57054.94±3088.44 mg/kg (k=2), 637.72±45.38 mg/kg (k=2), 173.19±4.83 mg/kg (k=2) and 9949.12±291.59 mg/kg (k=2), respectively. AGFD 80 Contents of macro- and micro-minerals in infant formulas by ICP-OES and ICP-MS Dongwon Seo1, Jinbong Hwang1, hwangjb@kfri.re.kr, Soyoung Kim1, Jisu Park1, Hyunjun Lee1, Byung-Joo Kim2, Joonhee Lee2. (1) Food analysis center, Korea Food Research Inst., Seongnam, Korea (the Republic of) (2) Division of metrology for quality of life, Korea Research Inst. of Standards and Science, Daejeon, Korea (the Republic of) Infant formulas are a popular supplement or substitute for breast milk. Produced from cow milk on an industrial scale, the formulas are divided into two basic types: products for newborns and for children older than 4 or 6 months. Minerals are indispensable in human nutrition, and their content in the body depends on their occurrence in soil, drinking water, and nutrition. For these reasons, it is important to determine the quality and contents of food products for children, including formulas, in terms of the daily doses of macro- and micro-

minerals. Standard Reference Material (SRM) 1849a was purchased from National Inst. of Standards & Tech. in USA. Infant Formulas were obtained KRISS in Korea. The sample was prepared with different cooking methods and then it was digested with 8 mL of HNO3 and 2 mL of H2O2 using the microwave. This solution was cooled and diluted with deionized water. Diluted solution was injected into the inductively the coupled plasma optical emission spectrometry (ICP-OES) and the inductively coupled plasma mass spectrometer (ICP-MS) to determine minerals (Na, Ca, K, P, Ng, Fe, Zn, Cu, Mn, Cr, Se, Mo, I and Cl). This method provided good correlation (r>0.999), limit of detection (<0.10 mg/kg) and accuracy (<7.76 %) within the test ranges. The mean of concentration values of minerals were 1440.28±16.31, 5457.86±37.61, 6053.85±60.36, 3226.96±15.14, 554.81±4.65, 53.06±0.49, 39.52±0.34, 3.21±0.02, 0.72±0.02, 0.07±0.00, 0.12±0.01, 0.12±0.04, 1.41±0.04, and 3667.84±146.42 mg/kg for Na, Ca, K, P, Ng, Fe, Zn, Cu, Mn, Cr, Se, Mo, I and Cl, respectively. AGFD 81 LC-MS analysis of antioxidant polymer additives exposed to low dose gamma irradiation Mary D. Celiz, dawnceliz@yahoo.com, Kim M. Morehouse, Lowri Dejager, Timothy Begley. FDA, College Park, Maryland Radiation treatment of various food and food contact materials are approved in the US to increase food shelf life and improve food safety. Irradiation doses for most of food and food packaging are limited to doses less than 10 kGy, with few exceptions such as spices which can be treated at doses less than 30 kGy. With increasing demand of prepackaged food and food safety, there is a possibility of increased use of irradiation technology. During irradiation, radiolysis products may form from the polymer additives found in food contact materials. Most irradiation studies on polymer additives involve radiation doses higher than 10 kGy. The focus of this study is to investigate the changes in the concentration of the polymer additives, specifically antioxidants, and determine the major radiolysis products from the antioxidants when polyethylene resin material is exposed to gamma irradiation doses of 0.5 - 20 kGy. The antioxidants are extracted by accelerated solvent extraction, and analyzed by LC-MS with atmospheric pressure chemical ionization. Chromatographic separation is achieved using C8 and C18 columns with methanol and water as mobile phases. Percent recoveries of the antioxidants and method detection limits were determined. A decrease in the amount of antioxidants is observed as the irradiation dose is increased. For Irganox 1076, a 39% decrease from 415 ppm is observed at 4 kGy. The major radiolysis product is an oxidized form of Irganox 1076 corresponding to the loss of two hydrogens. Studying the formation of these radiolysis products will help in exposure based safety evaluation of food contact materials used with food irradiation at low doses. AGFD 82 Acidity adjustments, tartrate formation, and oxidative stability of wines treated with cation exchange resins V. Felipe Laurie1, flaurie@utalca.cl, Felipe Ponce1, Camila Adriazola2, Yaneris Mirabal-Gallardo1. (1) Agricultural Sciences, Universidad de Talca, Chile (2) Universidad de Talca, Chile The use of cation exchange resins (CER) in acid cycle produces a reduction of wine pH, by exchanging cations such as potassium (K+) for hydrogen ions (H+). During the process, the removal of K+ and calcium ions (Ca2+) may also result in a decreased formation of tartrate salts. Like so, the lower pH and partial removal of metal catalyzers (e.g. iron) could improve the oxidative stability of wines, as measured by the loss of free sulfur dioxide (SO2), and the absorbance of light at 420 nm. Therefore, the aims of these trials were: To optimize the exchange process for pH reduction, by evaluating the efficacy of using different volumes and concentrations of acid during the activation of the resins (i.e. sulfuric acid, H2SO4); and evaluate the formation of tartrate salts and oxidative stability of the treated wines. The study

encompassed a series of winery and laboratory scale trials in which some of the following results were obtained: The amount and concentration of H2SO4 solution, recommended by the vendor of the technology was reduced by more than 50%, with similar efficacy results. The CER treated wines showed a significantly lower pH, lesser concentration of cations (e.g. K, Ca and Fe) and tartrate salts, and a significant increase in titratable acidity and free SO2. The ion exchange treatment also caused a positive effect on the oxidative stability of the wines, in which a slower increase in the absorbance at 420 nn was observed. To further explain the later result, a separate experiment in which the effect of metal catalizers, pH, and their combination were evaluated againts wine oxidation. AGFD 83 Preparation of amorphous starch using ultra high pressure and ethanol process and observation of internal structure Ju-Yeol Lee, ljl4113@naver.com, Byung-Yong Kim, Moo-Yeol Baik. Food Sci. Tech., kyung Hee Univ., Yong-in, Korea (the Republic of) Starch is one of the easily found natural polymers, and is biocompatible and non-toxic. Their internal structure is very regular and has channels. Amorphous granular starch (AGS) is a physically modified starch that retains its starch granular morphology but is disordered in its internal structure. Although many studies have known the manufacturing method and its physicochemical properties, research on the internal structure is lacking. In this experiment, four kinds of amorphous starch were prepared by ultra high pressure and ethanol, and the internal structure was compared with natural starch. Amorphous granule corn starch (AGCS), amorphous granule tapioca starch (AGTS) and amorphous granule rice starch (AGRS) were prepared by a suspension of corn, tapioca and rice at 30% (w/v) in water and pressing them at 550 MPa for 30 minutes to make amorphous starch. Amorphous granule potato starch (AGPS) was based on the ethanol production method because of resistance to the pressure. The prepared starch was suspended in water or methanol for observation and then stained with merbromin. The internal structure was observed with a CLSM. When natural starch was stained, hilum was found in all starches. AGS has been found to have much larger particles than natural starches. Unlike natural starch, AGS showed not only hilum but also overall staining. This was confirmed as a result of more empty space in the starch. The purpose of this study is to investigate the internal structure of AGS and to suggest the potential for use as a drug & nutrition delivery system in the food industry. AGFD 84 Converting used tea leaf into active antimicrobial films using electrospinning method Ru Min Peng, r05641025@ntu.edu.tw, Yu Wen Ting. Inst. of Food Sci. and Tech., National Taiwan Univ., Taipei Green tea is one of the most frequently consumed drinks around the world. Some researchers proved that it has strong antioxidant and antibacterial activities due to its abundant content of polyphenols. However, the consumptions of tea products resulted in plenty of tea leaves as a by-product, in which mainly composed of cellulose. Cellulose is a plentiful biopolymer that is found in the wide spectrum of living organisms and is a common left-over from many manufacturing processes in the food industry. The fact that cellulose is a polysaccharide that has strong inter- and intra-molecular hydrogen bonds makes it very difficult to be dissolved in most of the solvents. Due to its properties including low cost, renewability, high mechanical strength, using the correct chemical modifying procedure and suitable solvent could help recycling cellulose and use it for other food applications, such as drug delivery system, filtration, immobilization, and packaging. Electrospinning is one of the novel technologies producing nanofibers by the electrical force. Depends on the high-voltage power supply, electric field builds up to a point where electrical force overwhelms the surface tension of the polymer solution making the fluid droplet travels in path mimicking Taylor cone and landed on the

collector as fibers or beads. In this work, tea leaf rich in cellulose will be chosen as based material to encapsulated antimicrobial compounds and then processed into antimicrobial film using electrospinning method. The effectiveness of using electrospun cellulose fibers as part of food packaging for extending the food shelf life would be studied. In this work, used tea leafs were mixed with NaOH/urea aqueous system, ground, and derivatized to dissolve cellulose for electrospinning. Scanning electron microscopic images would show that the microstructure and continuity of the produced fibers. Fourier-transformed infrared spectroscopy and thermogravimetric analysis results confirmed successfulness of antimicrobial incorporation in the film structure. The antimicrobial efficacies and its antioxidant capacity were studied using in vitro assays. Upon all of the results, electrospinning method could successfully convert used tea leaf into an antimicrobial film that demonstrates a more economical and environmental friendly mean to reuse agricultural processing waste. This work will open up a new area for recycling of other manufacturing waste that has similar properties. AGFD 85 Investigation of antibiotic susceptibility, class 1 integron and biofilm formation ability on Salmonella spp., Escherichia coli and Staphylococcus aureus from various foods in South China Jianyu Su1,2, jysu@scut.edu.cn, Wen Wang1, Han Hu1. (1) School of Food Sci. and Eng., South China Univ. of Tech., Guangdong, Guangzhou, China (2) Departement of Nutrition and Food Sci., Univ. of Maryland, College Park In the present study, a total of 96 isolates (Salmonella spp. 32, Escherichia coli 32 and Staphylococcus aureus 32) from various foods in South China were investigated for antibiotic susceptibility, class 1 integron, and biofilm formation ability. According to the results, 61.5% of the isolates were resistant to at least one type of tested antibiotics, with 17.7% strains exhibiting multidrug resistance, and 44.8% had weak or intermediate abilities of biofilm formation. One foodborne vancomycin resistant S. aureus was strikingly found in our study, which, to our knowledge, was the first report. Class 1 integrons were tested in 31.3% of the isolates, including four S. aureus strains, which was the first evidence of class 1 integron from foodborne S. aureus strains. Pearson’s Chi-square test was applied to analyze the antimicrobial susceptibilities between isolates with ability and inability of biofilm formation for 18 class 1 integron-positive Salmonella spp., and statistically significant difference was only observed for cefazolin and gentamicin, which was the first report on phenotypic correlation existing among the aspects of antibiotic susceptibility, class 1 integron and biofilm formation ability. In conclusion, this novel finding may offer significant guidance in effective control on dissemination of antibiotic resistance of foodborne pathogens. AGFD 86 Use of chemical ontology in the evaluation of food ingredients and packaging at the FDA Diane M. Schmit1, dschmit@alumni.ucla.edu, Tammy Page2. (1)FDA, Hanover, Maryland (2) FDA College Park, Maryland The FDA’s primary mission is to promote and protect public health. FDA's Center for Food Safety and Applied Nutrition (CFSAN) is one of six product-oriented centers within the FDA that carries out the mission of enforcing the Federal Food, Drug, and Cosmetic (FD&C) Act and other laws that are designed to protect consumers' health and safety. The Office of Food Additive Safety (OFAS) within CFSAN manages FDA's pre-and post-market safety review of food additives, color additives, food contact substances, and generally recognized as safe (GRAS) substances. A result of OFAS’ operations, it has amassed a very large volume of chemical, toxicological, and regulatory data on chemicals under its purview. OFAS has developed a number of web-based informatics tools that link regulatory submissions, regulations, chemical data, and toxicological data to facilitate the identification of the regulatory history of a particular chemical as well as the retrieval of chemical and toxicological data available within our internal

administrative files. The STARI (Scientific Terminology and Regulatory Information) database is an ontology of scientific and foods terminology and regulatory data, organized in a multi-hierarchical structure, and is cross-linked to other data resources within FDA to facilitate submission reviews. The use of STARI is described in this presentation. AGFD 87 US FDA’s food additive knowledgebase and cheminformatics platform: Chemical evaluation and risk estimation system Patra Volarath1, patra.volarath@fda.hhs.gov, Leighna Holt2, Terry Deng3,1, Madhur Garg3,1, Darshan Mehta3,1, Kirk Arvidson1. (1) US FDA, College Park, Maryland (2) US FDA, College Park, Maryland (3) ORISE, Oak Ridge, Tennessee The FDA’s Office of Food Additive Safety (OFAS) is located within the Center for Food Safety and Applied Nutrition (CFSAN). OFAS is responsible for the premarket evaluation of new food ingredients intended for the US market place. These food ingredients include direct food additives, generally recognized as safe (GRAS) ingredients, biotechnology derived food, and food-contact substances (FCSs) such as packing materials and antimicrobials used in the production of food. The Chemical Evaluation and Risk Estimation System (CERES) was created to facilitate the OFAS safety review processes. CERES serves as a data repository that consolidates data from different sources and organizes the data under one controlled vocabulary. The data sources in CERES include the toxicity and regulatory data from CFSAN’s legacy database called the Priority-Based Assessment of Food Additive (PAFA) database and a CFSAN’s submission repository system called the Food Application Regulatory Management (FARM) system. CERES obtains the chemical data from the CFSAN’s STARI (Scientific Terminology and Regulatory Information) and external sources, such as the ToxCast, Tox21, and COSMOS database. The regulatory and toxicity information is linked in CERES through the tested chemicals. This allows the chemicals to be meaningfully clustered, and the results can be output and readily evaluated using modern cheminformatics tools. The cheminformatics workflows available in CERES include: toxicity predictive QSAR models, chemical/toxicity data export, and compound similarity comparison. CERES is currently being expanded to include new features, including Toxicity Report & Analysis Management (TRAM). The TRAM system will allow the FARM, STARI, and CERES data to automatically synchronize in real-time. It will also contain e-memos, which will allow the OFAS chemistry and toxicology reviewers to directly write their memoranda inside TRAM, where the chemical, toxicity, and regulatory values will be automatically captured into CERES. Additional cheminformatics workflows will also be added. These include: chemical metabolism prediction, a new and expanded TTC (Threshold of Toxicological Concern) decision tree, read-across, weight-of-evidence, and biological/toxicological profile analogue search workflows. AGFD 88 Using sniff olfactometry to measure olfactory latency Chloé Albietz, chloe.albietz@epfl.ch, Terry E. Acree. Cornell Univ., Geneva, NY Using an olfactometer to deliver two odorants separately the latency between their perception was found to range from 0 to 580 ms depending on the odorants used. This paper reports the use of a Sniff Olfactometer (SO) to make similar measurements on mixtures of benzaldehyde:carvone, benzaldehyde:trichloroanisole and trichloroanisole:carvone. The thresholds in 7% ethanol solution were determined for all compounds, for several subjects. These thresholds were used to estimate the Equal Odds Ratio (EOR): the concentrations of two compounds at which they are percieved at equal probability in a forced choice identification task. Beginning with the estimated EORs the experimental EORs was determined by an iterative process. The SO was programed in two ways 1.) to deliver the two compounds at their EOR in a mixture as a single puff, and 2.) delivered separately from two different sources two puffs

with varying delays between 0 and 1000ms. The response to the binary mixtures at their EOR concentrations were compared with the responses to separate puffs. Plots of the responses at different latencies were linear and characteristic of the binary pair. AGFD 89 Using sniff olfactometry to study Sauvignon Blanc odorant interactions Xiaozhen Zheng, xz545@cornell.edu, Charlotte Maxe, Terry E. Acree. Cornell Univ., Geneva, NY Humans have a limited ability to identify odorants in mixtures even if they are above their threshold. Furthermore, and only a few odorants are required for people to recognize an object [i]. If we define Key Odorants (KOs) experimentally as the most potent odorants identified by gas chromatography - olfactometry (GC-O) then the top five in Sauvignon Blanc wine (SBW) would include 3-methyl-1-butanol (3M1B), isobutyl acetate (IA), ethyl butyrate (EB), oct-1-en-3-one, and 3-isobutyl-2-methoxypyrazine (IBMP). These top 5 KO’s are between 10 and 40 times more potent than the rest and do not include compounds such as the 4-methyl-4-mercaptopentanone (4MMP, “boxwood”), and 3-mercaptohexanol (3MH, “passion fruit”), compounds known to be prominent descriptors of SBW in sensory tests. A possible explanation is that the interaction between component pairs of odorants either at the periphery or in the brain is idiosyncratic. To determine the nature of the binary interactions of the major odorants in SBW we used sniff-olfactometry (SO) to measure detection probabilities for various SBW odorants starting with three of the most potent odorants: 3M1B with a “whisky” smell (distinctive chocking alcohol odor), IA with a “fruity/floral” odor and EB with a similar “fruity/apple” odor. We determined the detection probabilities in binary mixtures of each of the three pairs and compared them with mixtures of all three. The results will be discussed in terms of Sauvignon Blanc odor image. Preliminary finding make it clear that more than 4 odorants are required for experienced drinkers to recognize the mixture as SBW. Previous research has suggested that similar smelling odorants might have synergistic effects while dissimilar smelling odorants might suppress each other[ii]. AGFD 90 Eriocitrin attenuates high-fat diet induced disturbances in C57BL/6J mice Paula S. Ferreira1, paullasf@gmail.com, Marina Nery1, John A. Manthey2, Thais B. Cesar1. (1) Food and Nutrition, Sao Paulo State Univ., Vero Beach, Florida (2) USDA ARS, Fort Pierce, Florida The effects of eriocitrin on the changes in metabolism, inflammation and oxidative stress caused by high-fat diet in mice were characterized. C57BL/6J male mice were induced to obesity by a high-fat diet for four weeks, and subsequently mice were supplemented with eriocitrin at 25 mg/kg /day for four additional weeks. Another two groups included a standard diet group (10% of diet calories from fat) and a non-supplemented high-fat diet group. The group fed high-fat diet without eriocitrin exhibited increased body weights, visceral fat, and blood serum levels of glucose, insulin, triglycerides, total-cholesterol, resistin, leptin and lipid peroxidation (p< 0,05). However, the group supplemented with eriocitrin exhibited decrease in the serum levels of triglycerides (-33%) (p<0.05), and improvements in the serum levels of glucose (-25%), insulin (-35%), resistin (-18%) and lipid peroxidation (-21 %). These results suggest that eriocitrin supplementation may help reduce risks of type 2 diabetes and cardiovascular disease. AGFD 91 Metabolomics tools for the analysis of non-volatile polyphenols in grapes, wine and humans Markus Herderich1,2, markus.herderich@awri.com.au, Vilma Hysenaj1,2, Joana Fernandes1,3, Creina Stockley1, Natoiya Lloyd1,2. (1) The Australian Wine Research Inst., Glen Osmond, South Australia (2) Metabolomics Australia, Glen Osmond, South Australia (3) Genomics Unit, Biocant, Cantanhede, Portugal Grapes and wine are

important dietary sources of a large number of polyphenols. So far only a relatively small proportion of secondary metabolites present in vines and grapes has been extensively studied; these include anthocyanins, flavanols, flavonoids and stilbenes. Yet hundreds of molecular features can be detected in a comprehensive characterisation of the grapevine’s metabolome and it remains to be established which of these “known unknown” grape compounds undergo structural changes during winemaking and storage of wine, may impart sensory effects in wine, are potentially suitable as quality markers, or could play a role in human nutrition as bioactive agents. This study was designed to establish comprehensive profiles of non-volatile polyphenols across a number of key grape varieties using HPLC-MS/MS profiling, to compare analytical and biological variation of key metabolites, and observe chemical and biological transformations of grape metabolites during winemaking. To maximise coverage of non-volatile polyphenols two different extraction protocols, based on liquid extraction and solid-phase extraction, were evaluated in combination with reverse phase HPLC-MS/MS. Non-targeted metabolite analysis revealed the complexity of the grape and wine samples with thousands of molecular features extracted from the raw data. Once molecular features unique to grapes, unique to wine, or common to both grape and wine had been determined, key metabolites were identified using in-house reference spectral libraries or by matching predicted accurate-mass molecular formulae with compounds known to exist in grapes and wine. In a subsequent study, a non-targeted metabolomics experiment was performed to explore the plasma profile of resveratrol conjugates and other compounds after consumption of resveratrol added to a dealcoholized wine matrix. As the consumption of resveratrol with certain foods and beverages has been associated with potential health benefits for consumers, this study aimed to provide further insights into the bioavailability of resveratrol and its metabolites. In this presentation the results will be discussed from (a) method development and validation, (b) non-targeted profiling of non-volatile polyphenols in grape and wine samples, and (c) analysis of resveratrol metabolites in human plasma and the bioavailability of a range of compounds related to the ingestion of resveratrol. AGFD 92 Chemo-diversity in monoterpene enantiomers from Riesling wines from different regions and wine styles Mei Song, Michael C. Qian, Claudio Fuentes, Elizabeth Tomasino, elizabeth.tomasino@oregonstate.edu. Oregon State Univ., Corvallis Monoterpenes are important characteristic compounds for aromatic white wines, including Riesling. However monoterpene enantiomers have been little explored. Monoterpenes originate from grapes and are effected by climate, clone etc. Therefore enantiomers may differ based on region and style and may be used for Riesling wine authentication. Fifty four commercial Riesling wines in three wine styles (dry, medium dry, medium sweet) were collected from four well established regions including Germany, France, NY, and Oregon. Thirteen monoterpene isomers were identified and quantitated by SPME-MDGC-MS in these Riesling wines. Significant differences were found on 9 out of 13 isomer contents among different regions and 8 out of 13 isomers among styles. The results of enantiomer fractions showed that wines from Germany were significantly different from other regions; in addition, there is no style effect on enantiomer fraction. The study suggests that wines from different regions and styles could be differentiated by monoterpene isomer profiles. AGFD 93 Regional chemical characteristics of Sangiovese wines from Italy and California Valentina Canuti2, valentina.canuti@unifi.it, Scott Frost1,3, Larry A. Lerno3, Jerry Zweigenbaum4, Susan E. Ebeler1,3. (1) Dept of Viticulture Enology, Univ. of California, Davis (2) GESAAF-Dept. of Agriculture, Food and Forestry Systems, Univeristy of Florence, Italy (3) Food Safety

and Measurement Facility, Univ. of California, Davis (4) Agilent Technologies, Inc., Little Falls, Delaware Sangiovese is the most widespread Italian red cultivar and it constitutes the basis of internationally known wines such as Chianti, Brunello di Montalcino and Nobile di Montepulciano. Outside of Europe the US is the second largest producer. Regionality, frequently called terroir, is often used as a way to market wines from different locations. For this reason, this study sought to define and compare Sangiovese wine composition from various regions in California and Italy. Fifty-one commercial wines, 100% Sangiovese (20 from Italy and 31 from California), were analyzed for volatile aroma profiles, color, and phenolic content. The volatile and phenolic profiles of the wines separated the regions from one another. In particular, the Italian wines were richer in C13-norisoprenoids (Riesling acetal, TDN, and vitispirane), sesquiterpenes (beta-farnesene), and polyphenols; the Californian wines were richer in esters such as isoamylacetate, diethylsuccinate and also the C13-norisoprenoid, beta-damascenone. However, some Californian and Italian wine samples had very similar chemical compositions, possibly reflecting similar winemaking styles. This study demonstrates that for commercial fermentations, it is possible to determine regional differences among wines based on chemical profiles. To our knowledge, this is the first time that an extensive regionality study has been attempted for Sangiovese wines. AGFD 94 Global lipidomics profiling of grapes identifies lipidomics signatures discriminating between grape genotypes Vladimir Shulaev1, shulaev@unt.edu, Khadiza Zaman1, Manoj Ghaste1, Giulia Chitarrini1,2, Stella Grando2,3, Marco Stefanini2, Urska Vrhovsek2, FULVIO MATTIVI2,3. (1) Dept. of Biological Sciences, Univ. of North Texas, Denton (2) Dept. of Food Quality and Nutrition, Research and Innovation Centre, Fondazione Edmund Mach, San Michele all'Adige, Italy (3) Center Agriculture Food Environment (CAFE), Univ. of Trento, San Michele all’Adige, Italy Lipids are essential components of plant, playing role as structural components of membranes, major storage reserve in seeds, and signaling molecules for local and long-distance communication. Despite their biological importance global lipidomics analysis of grapes is limited. This is partly due to the fact that comprehensive analysis of complex plant lipids is challenging due to the diversity of lipid polarity and the large range of concentrations of lipid species in biological samples. We used novel approach using Ultra Performance Convergence Chromatography (UPC2) coupled to mass spectrometry for the lipidomics analysis of free fatty acids, neutral and polar lipids in a single grape lipid extract. Total of 82 grape varieties, including both Vitis vinifera and non-V. vinifera genotypes, were analyzed in positive and negative ion polarity mode. The lipid profiles of the different grape genotypes were analyzed using TransOmics Software and multivariate statistical analysis to determine the pattern and composition of the different lipid species. Individual lipids were identified based on accurate mass, retention time and MS-MS fragmentation using SimLipid (PREMIER Biosoft, USA), and LipidSearch (Thermo Scientific, USA) software packages. Using PLS-DA and OPLS-DA multivariate analysis of results across several grape genotypes we have identified variables that discriminate the different genotypes. Total of 76 variables in positive ion mode and 69 variables in negative ion mode were discriminating between Vitis vinifera and non-V. vinifera genotypes. We also identified a set of variables that discriminate between grape genotypes which on the base of SSR profiles could be assigned to proles pontica (VV1 – S1) which include Italian and Greek wine grapes and proles occidentalis (VV4 – S3) which includes the French and German wine grapes. AGFD 95 Varietal thiols origins in wine: A review on their liberation mechanisms from the precursors present in grapes and musts Rémi Schneider1,2, remi.schneider@oenobrands.com. (1) IFV- UMT Qualinnov, Gruissan, France (2) Oenobrands SAS,

Montferrier sur Lez, France Among sulphur compounds, three varietal thiols (4-mercapto-4-methylpentan-2-one (4MMP), 3-mercaptohexan-1-ol (3MH) and 3-mercaptohexylacetate (A3MH) are key odorant compounds of wine. These thiols are released during the alcoholic fermentation (AF) from precursors present in grapes or musts. Different biogenetic pathways have been reported for the 4MMP and 3MH formation. The first two pathways involved cysteinylated and glutathionylated S-conjugates, cleaved by the yeast β-lyase activity during the AF. A third pathway has been finally identified involving (E)-2-hexenal and (E)-2-hexenol, even if the sulphur donor hasn’t been yet identified. Recently, some new derivatives (aldehyde forms, SO2-combined forms, glutathione derivatives) have been pointed out. The 3MH levels originating from those pathways could explain from 10 to 65% of the wine 3MH. Thus a large field of investigation is opened to well understand the thiols biogenesis. Some viticulture techniques favoured thiols precursors accumulation in grapes or musts, such as the vine water status and the nitrogen fertilization management (soil fertilizer or foliar spraying), or the oxidation mechanisms during must elaboration. However, fermentation conditions hugely influence the thiols release: yeast strain, temperature, nitrogen nutrition. If lot of studies focused on the yeast thiols release capacity, let’s keep in mind that the conversion yields never exceed 10%. Surprisingly, few studies were dedicated to the thiol precursors transport into the yeast. The General Amino acid Permease 1 (GAP1) is known to be the main transport system for cysteinylated precursors. Its regulation by the ammonium levels in must explain that the yeast nutrient composition (NH4+ / amino acids ration) and time of addition are two key parameters. For glutathionylated precursors transport into the yeast cell a recent study showed the importance of Opt1 transporters. The importance of the vacuolar y-glutamyltranspeptidase in the 3MH release was also pointed out even if further studies are needed to determine the entire mechanism. AGFD 96 Rethinking re-stinking: A critical evaluation of hypotheses for formation of sulfurous off aromas during wine storage Gavin L. Sacks1, gls9@cornell.edu, Gal Kreitman2, Ryan Elias1, David W. Jeffery1. (1) Food Sci., Cornell Univ., Ithaca, NY (1) Dept. of Food Sci., The Pennsylvania State Univ., Univ. Park (1) Dept of Wine and Food Sci., The Univ. of Adelaide, Urrbrae, South Australia (2) Dept. of Food Sci., Pennsylvania State Univ., Univ. Park Low molecular weight volatile sulfur compounds (VSCs), and particularly sulfhydryls like hydrogen sulfide (H2S) and methanethiol (MeSH), are implicated as a major cause of “reduced” sulfurous off-aromas in wine, e.g. odors of rotten egg, sewage, cabbage or burnt rubber. Although the enzymatic origins of H2S and MeSH during alcoholic fermentation are well studied, the role of non-enzymatic pathways in their formation during anaerobic storage have only recently been considered in detail. Older reports suggested that either low molecular weight symmetric disulfides (e.g. dimethyldisulfide) or S-methylthioacetate could serve as a source of latent MeSH. However, the presence and relevance of these hypothetical latent forms have not been well-validated, and in any case they would not account for reappearance of H2S during bottle storage. We propose that putative latent forms of sulfhydryls should satisfy two criteria. First, the they should be at sufficient concentration to account for the volatile sulfhydryl concentration that appears during storage (up to a few µM). Second, they should be metastable during typical bottle storage conditions, e g., the conversion of latent form to free sulfhydryl should occur n weeks to months. In addition to S-methylthioacetate, formed during alcoholic fermentation, the recent literature suggests two other compound classes that could satisfy these criteria: i) transition metal-sulfhydryl complexes, particularly those formed following Cu(II) addition; and ii) asymmetric disulfides, polysulfanes, and (di)organopolysulfanes formed either through oxidation of sulfhydryls following Cu(II) addition or by degradation

of elemental sulfur pesticide residues. These observations have profound implications for both the prediction and management of reduced aromas. Comprehensive surveys of a wide range of wines to determine the role of these putative latent sulfhydryl form during bottle storage are currently lacking, and should be a focus of future research. AGFD 97 Potential strategies for preventing copper mediated reductive aroma in post-bottle wines Laurel Vernarelli, lav7@psu.edu, Gal Kreitman, Ryan Elias. Dept. of Food Sci., The Pennsylvania State Univ., Univ. Park Volatile sulfur containing compounds (VSCs) have a major impact on the sensory quality of wine. Typically, VSCs have exceedingly low aroma detection thresholds, and the production of fermentation-related VSCs, such as hydrogen sulfide (H2S), methanethiol (MeSH), and ethanethiol (EtSH), can result in the development of undesirable odors described as rotten egg, putrefaction, sewage and burnt rubber that are detrimental to wine quality. The addition of Cu(II) to wine – a technique known as copper fining – is a common method for removing VSCs, whereby the metal is assumed to remove molecules with sulfhydryl functional groups (e.g., VSCs) by forming a highly insoluble colloidal CuS precipitate; however, the mechanism for Cu fining remains poorly understood, and there are disadvantages to the process. Based on recent results in our lab, excess thiols present in wine relative to added Cu(II) appear to favor H2S and thiol oxidation rather than CuS precipitation, and the effectively soluble fraction of Cu in wine can promote the release of VSCs under the low oxygen conditions associated with the post-bottle environment. Thus, the general practice of Cu fining in winemaking may need to be reevaluated. In light of this new understanding of the reactivity of exogenous Cu in wine, we describe several studies from our group that attempt to address this problem by controlling the fate of Cu while also exploiting the metal’s ability to remove VSCs. AGFD 98 Comparison of the major regulatory systems for food contact materials Devon Hill, hill@khlaw.com. Keller and Heckman, Washington, DC Many countries around the world have regulations that specifically apply to food contact materials. In some large jurisdictions, the regulatory systems for food contact materials are under major revision or development. This presentation will summarize the current regulatory systems in force in most countries, and compare and contrast their requirements. The presentation also will discuss the major regulatory changes expected in the next few years and highlight relevant trends in chemistry and toxicology requirements needed to clear new materials. AGFD 99 Unpacking food packaging controversies Eric Greenberg, greenberg@efg-law.com. Eric F Greenberg PC, Chicago, Illinois Science, public sentiment and politics can make a volatile mixture. By looking at some recent controversies and the relevant legal and regulatory framework, this presentation examines ways in which the public, the regulated industry and regulators address real, and imagined, issues relating to food packaging safety. Prospects for future controversies are also explored. AGFD 100 Are the color additives in your inks or coatings in compliance with food contact regulations? Naeem H. Mady, naeem.mady@intertek.com. HERS, Intertek, Boca Raton, Florida Colorants additives such as pigments, solvents dyes or dyes are an integral part of the food packaging supply chain. Similar to any other food contact substances, colorant additives need to comply with different global food contact regulations to ensure their safe use. We will define the global regulations that address the compliance of colorants in inks and coatings. Many countries have developed their own system of regulation and as a result different approaches exist all over the world. We will clarify the industry confusion of direct in

direct contact of inks and coatings and the assumption functional barrier. We will address the safe use based on toxicity of a substance, level of migration into a food and level of exposure to that food. We will review colorant additives regulations in EU through The Council of Europe Resolution AP (89) as well as the National Legislation. The USA through the FDA indirect food additives regulations, South America through the Mercusor Legislation on Colorants for use in Food Contact Materials and China Regulation on Colorants for use in Food Contact Materials set out in GB 9685-2016. AGFD 101 Use of recycled plastics for food packaging in Thailand Chate Pattanakul, chate04@yahoo.com. Consulting, CTN 2016 Corp. C. Ltd., Samutprakarn, Thailand Recycled plastic materials in Thailand are collected from two main streams: post-consumer waste and industrial waste. The collected materials are processed for use mostly with nonfood contact applications. In the past decade, the usage of recycled plastics for food packaging is estimated to be 10% of the total usage of recycled plastics. The key success in using recycled plastic materials in Thailand is effective supply chain management starting from collecting, sorting, cleaning, extruding, and pelletization. The challenges for the use of recycled plastic for food packaging include the restricted laws and regulations for the use of recycled plastic for food packaging, and the efficiency in collecting and handling plastics with the least contamination. AGFD 102 Safer food packaging: What we have learned and where we have come Mitchell Cheeseman, mcheeseman@steptoe.com. Steptoe Johnson LLP, Washington, DC FDA and other regulators globally have performed safety assessments for components of food packaging materials for decades. Although such safety assessments are made at one point in time, both the knowledgebase relevant to the safety of a given chemical and the knowledgebase regarding the science of chemical safety more generally has continued to evolve. Approaches to intake assessment for packaging materials as well as safety testing methods and methods of data analysis have all evolved based on the growing knowledgebase of the science in all of these areas. The author will discuss how intake assessments have evolved, as well as how the types and amounts of testing data have evolved and how each may evolve in the future. Finally, an analysis of chemical safety data generally over the past 5 decades will be presented to support a conclusion that both food packaging and the chemicals used to produce food packaging have become safer over the lifetime of the food additive provisions of the Federal, Food, Drug and Cosmetic Act. AGFD 103 Using analytical tools to assess compliance with the purity requirements in global food-contact regulations Peter N. Coneski, peter.coneski@gmail.com. Keller and Heckman LLP, Washington, DC Although a single consolidated regulatory paradigm for food-contact materials does not exist globally, one commonality inherent to such regulations, is the often ill-defined requirement that materials coming in contact with food shall not render the contacted food injurious to health. Ensuring that packaging materials comply with such requirements necessitates an understanding of the potential impurities that are present in such food-contact substances, the toxicological profile of those impurities, and, perhaps most importantly, the levels at which these impurities are expected to enter the diet. In this presentation, the most common analytical tools used for assessing the potential migration of such impurities to food will be reviewed, with an emphasis on experiment design and analytical data requirements required for compliance assessments. The differences between the purity requirements in various jurisdictions will also be discussed.

AGFD 104 Using national biomonitoring data to understand the contribution of dietary sources to human exposures of phthalates, bisphenol A, and polyfluoroalkyl substances Ami R. Zota, azota@gwu.edu. Environmental and Occupational Health, Milken Inst. School of Public Health at the George Washington Univ., Washington, DC Background: Phthalates, polyfluorinated alkyl substances (PFASs), and bisphenol A (BPA) are widely used industrial chemicals that can adversely impact human health. Human exposure is ubiquitous and can occur through diet, including consumption of processed or packaged food. Objective: To examine associations between recent fast food intake and: 1) BPA; 2) urinary metabolites of di(2-ethylhexyl) phthalate (ΣDEHPm) and diisononyl phthalate (DiNPm); and 3) serum concentrations of perfluorooctanoic acid (PFOA) and perfluorooctane sulfonic acid (PFOS) among the US population. Methods: We combined data on 8876 participants from the National Health and Nutrition Examination Survey (NHANES 2003-2010). Using 24-hour dietary recall data, we quantified: 1) fast food intake (percent of total energy intake (TEI) from fast food); 2) fast food-derived fat intake (percent of TEI from fat in fast food); and 3) fast food intake by food group (dairy, eggs, grains, meat, and other). We examined associations between dietary exposures and urinary chemical concentrations using multivariate linear regression. Results: Recent fast food consumers had significantly higher levels of phthalates and PFOA but not BPA or PFOS compared to non consumers (p<0.05). We observed evidence of a positive, dose-response relationship between fast food intake and exposure to phthalates (p-trend<0.0001); participants with high consumption (≥34.9% TEI from fast food) had 23.4% (95% CI: 11.8%, 36.2%) and 39.4% (95% CI: 22.4%, 58.9%) higher levels of ΣDEHPm and DiNPm, respectively, than non-consumers. Fast food-derived fat intake was also positively associated with ΣDEHPm and DiNPm (p-trend <0.0001). Fast food meat and grain intake remained associated with ΣDEHPm and DiNPm after adjusting for other fast food groups. Conclusion: These findings support efforts to reduce fast food consumption and to monitor chemicals in the food supply. AGFD 105 Estimation of partition coefficients between polyolefins and water, and food simulants using the vapor pressure index method Larry L. Baner2, albert.baner@rd.nestle.com, Otto Piringer1. (1) FABES Forschungs-GmbH, Munich, Germany (2) Product Tech. Center, Nestle Purina Petcare, St. Louis, Missouri Partition coefficients, KP/F, describing the equilibrium distribution of a substance between a plastic packaging material (P) and food or food simulant (F) are fundamental material constants required for the estimation of migration, sorption and other types of food polymer interactions. Migration estimations made without the use of partition coefficients tend to overestimate the amount of migration – particularly for aqueous foods. A new method, denoted as vapor pressure index method, for estimation of partition coefficients between polyolefins and water and polyolefins and food simulants is presented and its utility is shown. Using the vapor pressures of the migrant and structural increments for the polymer and food simulant along with the retention indices from published literature values, partition coefficients can be estimated using standard computer calculation software such as Excel or Mathcad. Comparison of estimated partition coefficients with experimental data is shown. AGFD 106 Performance evaluation for the analytical methods of metals in food contact materials Yutaka Abe, y-abe@nihs.go.jp, Motoh Mutsuga, Kyoko Sato. Division of Food Additives, National Inst. of Health Sciences, Setagaya, Tokyo, Japan Inter-laboratory studies were performed to evaluate the performance of the analytical methods of cadmium (Cd), lead (Pb) and zinc (Zn) in food contact materials. Participants from over 17 laboratories determined the metal levels twice for each sample. All data were statistically analyzed, and performance parameters such as trueness, repeatability

(RSDr), and reproducibility (RSDR) were evaluated. In these studies, we set the target value range for trueness to be 80%–110% and the upper limit for RSDr and RSDR to be 10%, and 25%, respectively. First, we evaluated the fluctuations in measurements of metal levels in food simulants using atomic absorption spectroscopy (AAS), inductively coupled plasma-atomic emission spectroscopy (ICP-AES), and ICP-mass spectrometry (ICP-MS). All calculated values of trueness, RSDr, and RSDR were within the target value ranges (see Table), suggesting that there were no significant differences between the laboratories or the techniques used to determine analyte levels. Then, to evaluate the analytical methods for the determination of the residual levels of Cd and Pb, we compared the performance parameters obtained by two pretreatment methods—wet ashing and microwave digestion—using polyvinyl chloride pellets as samples. Although all estimated parameters fell within the target value ranges, those estimated following microwave digestion had higher accuracy. Finally, we evaluated the analytical methods for the determination of migration levels of Zn using two types of rubber gloves as samples. The estimated RSDr and RSDR values were in the range of 3.2%–8.2% and 7.9%–20.0%, respectively. These results also suggested that the variability in the determination of migration levels was mainly due to the steps performed to prepare the migration testing solutions. AGFD 107 New nutrition facts panel Kimberly Wingfield, kwingfield@gmaonline.org. Grocery Manufacturers Association, Washington, DC On May 27, 2016, the FDA announced changes to the nutrition facts label to modernize the lay out and help consumers make more informed choices about their food selections. The changes include updates to nutrient declarations, reference amounts, serving size, and label formats. Most food manufacturers were given until July 28, 2018 to comply, with the exception of companies with less than $10 million in sales who were given an additional year to comply. Like the FDA, the USDA Food Safety and Inspection Service (FSIS) is also in the process of revising its nutrition labeling regulations. On January 19, 2017, FSIS published proposed revisions to the nutrition labeling rules in the Federal Register. Similar to the FDA regulations, these proposed revisions reflect the latest scientific evidence on nutrients and dietary recommendations. The new nutrition facts label requirements have implications to consider beyond the panel itself. This creates some challenges and opportunities for food manufacturers and those who market and sell food products. AGFD 108 Total and individual sugar content of top contributors of commercially processed foods with added sugars in the U.S. Ying Li1,2, liyingfe@gmail.com, Jaspreet Ahuja2. (1) Nutrition & Food Sci., Univ. of Maryland College Park (2) USDA Agricultural Research Service, Beltsville Human Nutrition Research Center, Nutrient Data Laboratory, Beltsville, Maryland Purpose. The new U.S. labeling requirements specify that ‘added sugar’ values be declared on food labels by July 26, 2018. The objective of this study is to provide a baseline of total and individual sugars among top contributors of commercially processed foods with added sugars in the U.S., for use in assessing changes as manufacturers reformulate foods in the future. Methods. Based on dietary intake data from What We Eat in America, National Health and Nutrition Examination survey, 2013-2014, we identified 29 top sugar contributing foods, which represent over one-third of the total sugar consumed in the U.S. These 29 foods represented the major food categories identified in the Dietary Guidelines for Americans, 2015-2020. Most of the sugars in these foods were added during cooking/processing, so total sugar in these foods closely reflected their added sugar content. We used the USDA National Nutrient Database for Standard Reference to obtain information on their individual and total sugars. The data were derived from samples obtained using a three-stage, probability-

proportional-to-size plan using the most recent census and annual sales data for grocery store outlets and market share data for brands. Analytical data for individual sugars were mainly determined by liquid chromatography (AOAC 982.14). Individual monosaccharides (galactose, glucose, and fructose) and disaccharides (sucrose, lactose, and maltose) were summed to obtain values for total sugars. Results. We found that more than 1/3 (10 of 29) of the foods had total sugar level higher than 25 g total sugar per 100 g food (FDA suggested a limit on the consumption of added sugar to 50 g per day). These foods mainly include candies, grain-based snacks (e.g. frosted flakes, cookies, muffins and frosted buns). The main sugar in these foods was sucrose. Twelve of 29 foods (mostly soft drinks, fruit drinks, energy drinks and tea) contained 5-12.5g/100g (13-28g/serving) total sugar. The main types of sugars found in the beverages are glucose and fructose. On average, consuming more than 2 servings of these beverages in a day will exceed the 50 g added sugar daily consumption limit. Conclusion. Current sugar levels in commercially processed foods in the U.S were high and comprised mainly of mono and disaccharides. This study provides baseline values of total and individual sugars in commercially processed foods which are top sugar contributors in support of efforts to monitor sugar content and consumption. AGFD 109 FDA’s added sugars labeling regulation – the not so sweet treat Bruce Silverglade, bsilverglade@ofwlaw.com. Senior EAS Independent Consultant and Principal, Olsson Frank Weeda Terman Matz PC , Washington, DC The FDA has mistakenly identified sugar as the cause for U.S. obesity rates and a variety of related diseases. In July 2018, FDA plans to require inclusion of “added” sugars in the Nutrition Facts along with the percentage Daily Value (DV) per serving so consumers can judge if they have exceeded 50 grams, which FDA says is the limit per day. FDA’s new DV for added sugars is based largely on a U.S. Dietary Guidelines Advisory Committee (DGAC) report heavily influenced by political appointees, was rushed and did not include a scientific review by the National Academy of Medicine (NAM). This short cut by FDA lowered the scientific standard for adding new nutrients and updating DVs on the Nutrition Facts label used in the past. Also, FDA’s own consumer research shows that the agency’s added sugars labeling regulation misleads up to 24% of consumers and causes them to choose less, not more, healthful foods. FDA should stay the July 2018 requirement and charge NAM with conducting a study identify scientifically-supported intakes, similar to what has been done for every nutrient on the Nutrition Facts label. Delaying the compliance deadline would also permit FDA and the USDA to coordinate the nutrition labeling with USDA’s deadline for labeling genetically engineered foods. Conclusion: Changing food labels is expensive, costing the industry and consumers well over one billion dollars each time it is required so using solid, unbiased science instead of a “herd mentality” would .be in the best interests of FDA and US Consumers. AGFD 110 P-GMO and organic food effects on animal metabolic health Fariba M. Assadi-Porter, fariba@nmrfam.wisc.edu, Ebru Selen-Alpergin, Warren Porter. Zoology, UW-Madison, Madison, Wisconsin It is well established in the open peer-reviewed literature that diet is one of the key variables affecting health including normal embryonic development in animals and humans. Diary fat intake have promoting health affects such as improving key components of metabolic syndrome, being a protective factor against colorectal cancer, type 2 diabetes (T2D) and cardiovascular disease (CVD). Recent advances in developmental biology and environmental toxicology have revealed that animals and humans are exquisitely sensitive to ultra-low levels of molecules (parts per trillion (ppt) to parts per quadrillion (ppq)) that control the genetic expression, fundamental biochemistry and organ system functions of animals and humans and the developmental processes of embryos. Some of the

most common herbicides used in conventional and pesticide resistant or producing (P-GMO) crops agriculture have been documented to alter key molecules controlling the ratio of the male sex hormone, testosterone and the female sex hormone, estrogen. We investigated the effects of organic and P-GMO diets on both animal milk fat composition and animal metabolic health in cows under controlled experimental design. We used metabolomics and lipidomics to assess the ‘nutritional qualifiers’ (e.g. the abundance of saturated, mono- and polysaturated fatty acids, omega 3, and omega 6 fatty acids) and small analytes in milk from P-GMO and organically fed cows. Our results support the hypothesis that the organically fed-diet increases lipid oxidation biomarkers while it decreased inflammatory lipids as compared to P-GMO fed diet. AGFD 111 How the Food Chemicals Codex evolves to ensure the safety of the food supply Carl Frey, cfreyenterprise@gmail.com. Lewes, Delaware Food additives - flavors, colors, salts, antioxidants (and other materials) - are important ingredients in the preparation of safe, stable, and palatable prepared foods. For over 50 years the Food Chemicals Codex has guided food additive users and manufacturers by specifying baseline quality limits - including minimum purity and maximum impurity limits, among other things - for food additives. In recent years the FCC has expanded its efforts to ensure the safety of the food supply by including methods and strategies for assessing the authenticity of food ingredients. This presentation is designed to provide clarity regarding the FCC specification development process - from proposal to editing, revision, and review - that culminates in published FCC food additive specifications that help to preserve the safety and integrity of the food supply. AGFD 112 What’s natural and clean label? Deepthi K. Weerasinghe, dkweerasinghe@att.net. dP3Consulting, Roscoe, Illinois Over the last 3 decades “Natural” claims on foods have been increasingly perceived as good and better for you by some consumers. Conversely synthetic or artificial ingredients based on petroleum are more and more considered ‘unhealthy’. Consumers demand “Natural” even though the cost can be as high as 10 fold over synthetics, making manufacturing of “Natural” versions economically rewarding. Increasing economic adulteration with synthetics that contribute to inaccurate labeling, compromising Food Safety. The producers of “Natural ingredients” embrace guidelines set forth by organizations like FEMA and IOFI. Understanding the biochemical pathways that form these molecules in “Nature”, they employed microbes or enzymes that have the capacity to mimic these reactions. Some of the major methods of converting plant products to “Natural ingredients” are Fermentation, Enzymology, and “Soft Chemistry” followed by subsequent purification or isolation by Steam Distillation, Extraction, Chromatography or Crystallization. ”Soft Chemistry” involves reacting “Natural precursors” by kitchen-type simple reactions to yield “Natural ingredients”. Process flavor development involves heating a combination of reducing sugars, amino acids and fats to produce flavors via the Maillard reaction. When starting with “Natural ingredients“, in the US the resultant process flavors can be called “Natural”. Regulations of “Clean Label” today is where “Natural” was decades ago. Published information tells us that some consumers want to read a label that contains material they can recognize from daily life. Consumers do not necessarily equate Clean Label to “Natural”, they dislike a “Black Box-Natural Flavors” statement. One of the challenges in the food/flavor business is that the terms “Natural” and “Clean Label” are differently regulated and differently interpreted around the world, leading to non-uniformity on a worldwide basis. An ingredient deemed Natural in the US may or may not be Natural in Europe. AGFD 113 Reactive carbonlyl species from the oxidation of omega-3 and omega-6 fatty acids and method for their intervention

Chi-Tang Ho1, ho@aesop.rutgers.edu, Yu Wang2. (1) Food Sci., Rutgers Univ., New Brunswick, New Jersey (2) Citrus Research and Education Center, Univ. of Florida, Lake Alfred Lipid peroxidation gives rise to carbonyl species. Some of these carbonyl compounds are reactive carbonyl species that play a role in the pathogenesis of numerous human diseases. Oils are ubiquitous sources that can be easily oxidized to generate these compounds highly toxic reactive carbonyl species such as acrolein, crotonaldehyde, trans-4-hydroxy-2-hexenal, trans-4-hydroxy-2-nonenal, trans-4-oxo-2-nonenal, glyoxal and methylglyoxal under oxidative stress. Using LC/MS-MS uniquely different patterns of carbonyl compound generation between omega-3 and -6 fatty acids can be observed. We also found that green and black tea extracts can prevent the oxidative formation of acrolein in seal blubber oil. With the addition of green/black tea extract, the content of acrolein was reduced, thus demonstrating the antioxidative effect of tea polyphenols. Further LC-MS analysis revealed the formation of new adducts of equal molars of acrolein and EGCG. Thus, EGCG’s direct trapping of acrolein may contribute to the inhibition of acrolein formation in the peroxidation of seal blubber oil. AGFD 114 Phenolic-type reactive carbonyl scavengers as inhibitors against the formation of advanced glycation end products (AGEs) and AGEs-induced endothelial cell apoptosis and inflammation Mingfu Wang, mfwang@hku.hk, Qian Zhou. School of Biological Sciences, The Univ. of Hong Kong Protein glycation in human bodies can lead to the malfunction of intracellular and extracellular proteins. Products from such a reaction, generally termed as advanced glycation end products (AGEs), play important roles in the pathogenesis of nephropathy, neuropathy and retinopathy in diabetic patients. Therefore, the inhibition of AGEs formation has been recognized as one of the most promising strategies for the prevention of these devastating complications. An effective therapeutic approach is by scavenging the reactive carbonyl intermediates (particularly dicarbonyls) of AGEs. Several synthetic reactive carbonyl scavengers have already entered clinical trials with some successes, indicating a sound scientific basis for the application of reactive carbonyl scavengers in the treatment and prevention of diabetic complications. While there are reservations about the side effects of synthetic drugs, the concept of reactive carbonyl-scavenging has been under-explored in natural product research in relation to amelioration of diabetic complications. In this study, we aim to evaluate the bioactivity and action mechanism of phenolic-type reactive carbonyl scavengers by chemical and molecular biological approaches. Three natural phenolics, apigenin, cyanomaclurin and phloretin which possess similar antioxidant activity and different strength of carbonyl scavenging capacity are selected. Their effects on the formation of AGEs, oxidative stress, and AGEs-induced apoptosis and inflammation, some phenomena closely linked to diabetic nephropathy, will be tested in human umbilical vein endothelial cells. Instrumental analysis, Western blotting, immunocytochemistry and real-time RT-PCR will be applied to mechanistically evaluate their carbonyl scavenging potentiality in cells and whether their carbonyl scavenging capacity or antioxidant activity is responsible for their health benefits; and to further reveal some molecular mechanisms related to their potential activity against AGEs-induced cell apoptosis and inflammation (Bcl-2, Bax/Bad, MCP-1, IL-6, ICAM-1, TGF-β1, and RAGE expression). AGFD 115 Essential structural requirements and additive effects for dietary polyphenols to scavenge methylglyoxal Yingdong Zhu2, yzhu1@ncat.edu, Qiju Huang2,1, Pei Wang2, Lishuang Lv1, Shengmin Sang2. (1) Dept. of Food Sci. and Tech., Nanjing Normal Univ., Jiangsu, China (2) Laboratory for Functional Foods and Human Health, Center for Excellence in Post-Harvest Technologies, North Carolina A&T State Univ., North Carolina Research Campus,

Kannapolis Endogenous reactive dicarbonyl compounds, such as methylglyoxal (MGO) and glyoxal, are believed to contribute significantly to protein glycation and the formation of advanced glycation end products (AGEs), which are a cause of long-term pathological diabetes. Scavenging of reactive dicarbonyl species using dietary polyphenols has been proposed as an effective approach to prevent diabetic complications. To investigate the essential structural requirements of polyphenols in capturing MGO, five simple phenols (gallic acid, phloroglucinol, pyrogallol, pyrocatechol, and resorcinol), eight dietary flavonoids (quercetin, luteolin, epicatechin, epigallocatechin-3-gallate, genistein, daidzein, apigenin, and phloretin), and two ginger polyphenols ([6]-gingerol and [6]-shogaol) were examined in our study. Our results demonstrated that, 1) pyrogallol has the best trapping activity in simple phenols while substitution at carbon-5 of pyrogallol diminished the scavenging activity; 2) ring A is the active site of flavonoids in contributing the MGO-trapping efficacy; 3) double bonds between C-2 and C-3 on ring C of flavonoids facilitate the trapping efficacy; and 4) besides aromatic rings in flavonoids, the α-carbon of the carbonyl group in the side chain of ginger polyphenols is an alternative active site for trapping MGO. In addition, we found that there are additive effects in MGO capture by different combination of various dietary polyphenols, such as quercetin and pholretin, and epicatechin and [6]-shogaol, suggesting that regular consumption of the polyphenol-enriched foods and beverages may attenuate the progression of MGO-associated diabetic complications in patients. AGFD 116 Influence of quercetin and its methylglyoxal adducts on the formation of α-dicarbonyl compounds in lysine and glucose model system Lishuang Lv, lulishuang@njnu.edu.cn. Food Sci., Nanjing Normal Univ., Jiangsu, China Increasing evidence has identified α-dicarbonyl compounds, the reactive intermediates generated during Maillard reaction, as the potential factors to cause protein glycation and the development of chronic diseases. Therefore, there is an urgent need to decrease the levels of reactive dicarbonyl compounds in foods. In this study, we investigated the inhibitory effect of quercetin, a major dietary flavonoid, and its major mono- and di-MGO adducts on the formation of dicarbonyl compounds, such as methylglyoxal (MGO) and glyoxal (GO) in lysine/glucose aqueous system, a model system to reflect the Maillard reaction in food process. Our result indicated that quercetin could efficiently inhibit the formation of MGO and GO in a time-dependent manner. Further mechanistic study was conducted by monitoring the formation of quercetin oxidation and conjugation products using LC/MS. Quercetin MGO adducts, quercetin quinones, and the quinones of quercetin MGO adducts were detected in the system indicating quercetin plays a due role in inhibiting the formation of MGO and GO by scavenging free radicals generated in the system and trapping of MGO and GO to form MGO adducts. In addition, we prepared the mono- and di-MGO quercetin adducts, and investigated their antioxidant activity and trapping capacity of MGO and GO. Our results indicated that both mono- and di-MGO quercetin adducts could scavenge DPPH radical in a dose-dependent manner with more than 40% DPPH were scavenged by the MGO adducts at 10 µM, and di-MGO quercetin adduct could further trap MGO to generate tri-MGO adducts. Therefore, we demonstrate for the first time that quercetin MGO adducts retain its antioxidant activity and its trapping capacity of reactive dicarbonyl species. AGFD 117 withdrawn AGFD 118 Studies on inhibition mechanism of advanced glycation end products by resveratrol in intermediate moisture protein-Sugar Foods Zhanwu Sheng1, shengzhanwu100@163.com, Binling Ai1, Lili Zheng1, Xiaoyan Zheng1, Fenlin Tang1, Zhimin Xu2. (1) Haikou Experimental Station,Chinese Academy of Tropical

Agricultural Sciences, Haikou (2) Louisiana State Univ, Baton Rouge Glycation can generate advanced glycation end products (AGEs) and its intermediates methylglyoxal (MGO) and glyoxal in foods which increase the risks of diabetes diseases. The protein rich intermediate-moisture foods (IMF) have a high level of AGEs, such as Nε-(Carboxymethyl)-l-lysine (CML) and MGO. In order to control the glycation related diseases, therapeutic approaches could be developed based on the mechanisms of antiglycation by conjugating dicarbonyl species or limitation of glucose release by inhibiting α-amylase and α-glucosidase. Resveratrol is a natural polyphenol present in grape and red wine and has been suggested to possess prevention capability against chronic diseases. However, the inhibition mechanism of resveratrol in IMF against glycation has not been well documented. In this study, IMF fortified with resveratrol was prepared to evaluate the capability of resveratrol in inhibiting production of AGEs during storage. Antiglycation capabilities of resveratrol were evaluated through bovine serum albumin (BSA)-fructose, BSA-MGO and arginine-MGO models. Also, the kinetics of resveratrol in inhibiting α-amylase and α-glucosidase were investigated. The results shown that resveratrol is able to reduce the browning and Maillard reaction in IMF. It also has the capability of lowering AGEs or CML which are glycation products produced in the fortified IMF during storage. The inhibition capability of resveratrol against glycation was also confirmed by using SDS-PAGE, LC-MS and FTIR analysis to monitor glycated proteins and protein aggregation in the samples. Resveratrol also showed a significant inhibition capability against AGEs formation in the BSA-fructose, BSA-MGO and arginine-MGO models with inhibition percentages of 57.94, 85.95 and 99.35 %, respectively. The SDS-PAGE analysis proved that the glycation of BSA protein and fructose was inhibited by resveratrol. Furthermore, resveratrol acted as a competitive inhibitor for α-amylase with IC50 3.62 µg/mL, while, it was in an uncompetitive manner for α-glucosidase with IC50 17.54 µg/mL. In the LC-MS/MS analysis, two monomer resveratrol-MGO and a dimer resveratrol-MGO adducts were identified. The result demonstrated that resveratrol could trap MGO by conjugating reaction and inhibit further glycation reaction. In general, resveratrol has the potential of antiglycation and could be used in intermediate moisture foods during storage for reducing AGEs level or drugs for treating diabetes diseases. AGFD 119 Trapping of acrolein by dietary flavonoids Qiju Huang1, 1686886154@qq.com, Yingdong Zhu2, Pei Wang3, Shuwei Zhang3, Lishuang Lv4, Shengmin Sang2. (1) Dept. of Food Sci. and Tech., Nanjing Normal Univ., China (2) Center for Excellence in Post-Harvest Technol, North Carolina AT State Univ., Kannapolis (3) Laboratory for Functional Foods and Human Health, North Carolina Agricultural and Technical State Univ., Kannapolis Acrolein is a highly reactive α,β-unsaturated aldehyde that exists extensively in the environment and processed foods, and also as an endogenous metabolite. Acrolein is capable of depleting endogenous antioxidants such as glutathione, generating free radicals, promoting oxidative stress, and damaging proteins and DNA. Acrolein has been linked to the development of many chronic diseases including cardiovascular disease and neurodegenerative diseases. In this presentation, we reported our recent studies on the trapping of acrolein by dietary flavonoids. In our studies, we found that different flavonoids could trap acrolein to form related adducts in vitro. The acrolein adducts were purified from the in vitro reaction and their structures were confirmed by NMR analysis. In addition, structure activity relationship was also conducted. Furthermore, we demonstrated for the first time that flavonoids could trap acrolein in vivo. AGFD 120 High yield/quality of net proteins, lipids, and antioxidants extracted through fractionation/one step chemical method Tulio Chavez-Gil, tchavez-gil@coppin.edu. Dept. of

Natural Sciences, Sci. and Tech. Center, Coppin State Univ., Baltimore, Maryland The extraction of folk medicines, lipids, oils, fats, and proteins from different matter sources are key challenges in fields such as Food Sci.s, phytochemistry, medicinal chemistry, fragrances, agriculture, and biochemistry. Different methods such as food protein extraction and fractionation, cell disruption, mechanical homogenization, osmotic and chemical lysis, solubilization/precipitation, and centrifugation within others has been thoroughly used, however, the large number of them fail to attain entire molecules possessing its biologically structure and function. Here, we are presenting recent results on the separation of net proteins, and lipids from egg white ovalbumin/yolk, and antioxidants from vegetable food through an apparatus developed to improved chemical extraction/separation of net molecules. Termed Compact Extractor/Separator Apparatus for Solid/Liquid/Gel Samples, solvents with different polarities are easily synthesized in situ regarding extraction effectiveness, operation versatility and suitability for molecules structurally dependent of temperature. The novel aspect of the approach is to promote either percolation through the sample in opposite directions and vapor’s temperature control that allows attain among of natural structure -2D, 3D - of proteins, amino acids, chiral, and dye molecules, which integrity can be determinate through UV-VIS, FTIR, 1H-, 13C-NMR, Raman resonance, Circular Dichroism and Fluorescence spectroscopy. Times consume and step-by-step extraction/separation processes are reduced dramatically by the improvements related to the innovation if compared with the use of conventional (Soxhlet) or expensive (super critical) technologies implemented for the same purposes. This work describes operation of the unit to fractionate chemical components by employ different solvents in one step experiment. AGFD 121 withdrawn AGFD 122 Concurrent production of plant protein- and carbohydrate-enriched fractions by a dry triboelectrification-based approach Solmaz Tabtabaei1, solmaz.tabtabaei@howard.edu, Amin R. Rajabzadeh3, Raymond L. Legge2. (1) Dept. of Chem. Eng., Howard Univ., Washington, DC (2) Dept of Chem. Eng., Univ. of Waterloo, Ontario, Canada (3) W Booth School of Eng. Practice and Tech., McMaster Univ., Hamilton, Ontario, Canada A solvent-free tribo-electrostatic separation approach has been developed for simultaneously producing carbohydrate- and protein-rich fractions from navy bean (Phaseolus vulgaris) flour as a model system. For this approach, a lab-scale tribo-electrostatic-based separator was designed where the protein and carbohydrate particles in pin-milled flour were tribo-charged to different levels before being classified according to their acquired charge under the influence of an applied electric field. The influence of process parameters including air flow rate (laminar vs. turbulent), tribo-charger tube length, plate voltage, and plate angle on the fractionation efficiency was evaluated by conducting a mixed-level full factorial experiment, followed by data analysis with a multiple linear regression model. The distribution of the charged protein-rich particles along the surface of the electrode plate was also investigated as a function of air flow rate and electric field strength. Using an optimized two-stage tribo-electrostatic approach, the protein-enriched fraction with ~40% protein content was produced from the original navy bean flour (~25% protein) accounting for 60% of the total protein, leaving a carbohydrate-rich fraction with over 74% carbohydrate. This novel tribo-electrostatic separation approach not only provides a solvent-free environment for protein and carbohydrate separation, but also preserves the bio-functionality of the protein and averts the likelihood of toxic microbial contamination common for currently used wet fractionation processes. AGFD 123 Development of a green procedure with ultrasound improved supercritical CO2 to produce extracts enriched in

rosmarinic acid from Perilla frutescens and determination of its fictitious solubility Ming-Chi Wei1, mcwei2430@gmail.com, Pei-Hui Lin 3, Da-Hsiang Wei4, Jin-Ming Chen 1, Ko-Chun Chen 1, Yu-Chiao Yang2. (1) Dept. of Applied Geoinformatics, Dept. of Applied Geoinformatics, Tainan, Taiwan (2) Kaohsiung Medical Univ., Kaohsiung, Taiwan (3) Davis Heart and Lung Research Inst., Dept. of Surgery, The Ohio State Univ. , Columbus (4) Dept. and Graduate Inst. of Pharmacology, Kaohsiung Medical Univ., Kaohsiung, Taiwan Perilla frutescens is widely used as a fresh vegetable, popular garnishes, food colorants and traditional medicines. Perilla leaves have drawn the attention of researchers and consumers due to their nutritional and health benefits such as hepatoprotective, hypolipidemic, antiallergic, anticancer, anti-inflammatory, and antioxidant activities and to contain many bioactive compounds of flavonoids, phenolic acids, essential oils and triterpenoids, and is known to exert health beneficial effects. Rosmarinic acid (RA) in purple perilla leaves is the most abundant phenolic acid that exerts a variety of biological activities. The present study reports on the ultrasonic enhancement of the supercritical carbon dioxide (SC-CO2) extraction of RA from the purple-leafed of Perilla frutescens, to which ethanol is added as a cosolvent. Its performance was compared with that of conventional SC-CO2 extraction and heat-reflux extraction (HRE) processes.The results found that the highest yield of RA (98.46 milligram / gram of dry weight, mg/g of DW) was obtained with ultrasound-assisted supercritical CO2 (USC-CO2) extraction at 57 °C and 28.5 MPa with a CO2 flow rate of 0.46 g/min and 12.3% of 70% ethanol in water (v/v) as a cosolvent for a 120-min extraction. AGFD 124 Extracellular substances from biofilms produced in pure and mixed culture under conditions mimetic food processing Louise Deschenes1, louise.deschenes@agr.gc.ca, Nancy Guertin1, Timothy Ells2, Tony Savard1, Michele Elliot2, Caroline Lapointe1, Denise Chabot3. (1) Saint-Hyacinthe Research and Development Centre, Agriculture and Agri-Food Canada, Saint-Hyacinthe, Quebec (2) Kentville Research and Development Centre, Agriculture and Agri-Food Canada, Kentville, Nova Scotia (3) Ottawa Research and Development Centre, Agriculture and Agri-Food Canada, Ontario, Canada The presence of bacterial biofilms is a well-known problem in many sectors of activities including paper production, hospitals and food industry. Although biofilms have been studied for decades, they were mainly investigated using pure culture during their early stage(s) of formation (up to 24-48h). The work presented here puts the emphasis on the formation of mature biofilms (10 days) under mimetic food processing conditions for pure and mixed cultures. In addition to assessments based on counts for viable bacteria in the biofilms, the significance and characteristics of extracellular polymeric substances (EPS) were evaluated by quantifying the presence of external DNA (eDNA), proteins and exopolysaccharides (EPSac) in the biofilm matrix. Three bacterial strains were examined: Lactobacillus plantarum CRDAL44, Pseudomonas fluorescens TSB123 and Escherichia coli (KDRC811, serotype O103). In monoculture, Lactobacillus did not produce any significant amount of EPS, although, it can attach to the substrates (polystyrene and stainless steel) (about 6 log per square cm). However, its numbers increased by ~ 1 log in the mixed cultures. The EPS were not overexpressed in mixed cultures and their respective proportions appeared to be strain-dependent. This study not only provides new information about the building blocks of the biofilms matrix as a function of species (and combinations), but also allowed for visual observations regarding the organization and distribution of the different types of cells through scanning electron and atomic force microscopy. AGFD 125 Effect of pressure and temperature on the stability of ascorbic acid in citrus fruit juices Mark C. Azih,

markazih@yahoo.com. Dept. of Chemistry, Ambrose Alli Univ., Ekpoma Edo State, Nigeria Orange, lemon and lime juices were extracted from their ripe fruits and subjected to different temperatures and pressures followed by determination of their ascorbic acid contents. Each of the fruit juices was heated at 50°C, 75°C and 100°C at atmospheric pressure for 1 hour. The process was repeated at 50°C and 75°C at reduced pressure. The ascorbic acid in orange juice decreased from 52.3mg/100ml for the fresh sample to 42.7mg/100ml and 34.1mg/100ml for the sample heated at atmospheric pressure at 50°C and 75°C respectively. The orange juice samples treated similarly at reduced pressure yielded ascorbic acid values of 45.3mg/100ml and 36.2mg/100ml respectively. A similar pattern was observed for lemon and lime juices. The results suggest that treatment of fruit juices at reduced pressures, as is often the case when producing concentrated juices, does not offer much protection from ascorbic acid loss. AGFD 126 Studies on the oxidative stability of cashew nut (Anarcardium occidentale) oil Mark C. Azih, markazih@yahoo.com. Dept. of Chemistry, Ambrose Alli Univ., Ekpoma Edo State, Nigeria The stability of the oil from cashew nut (Anarcardium occidentale) against oxidative stability was tested in this study. Oil was extracted from sun-dried freshly harvested cashew nuts using the Folch method. The oil was exposed to the atmosphere at room temperature (25°C) for 20 days and measurements of iodine, peroxide and TBA values were taken at 5-day intervals. The highest increase (121%) was recorded in the TBA value over the 20-day period, while the increase in peroxide value was 48%. The iodine value decreased by 44%. The trend observed is believed to be a consequence of the fatty acid profile of cashew nut oil and the unique molecular events of each parameter measured. The results suggest a predisposition of cashew nut oil to oxidative rancidity at room temperature, and a consequent need for specialised storage conditions in order to maintain the stability of the product. AGFD 127 Comparison of analytical methods for protein level determination in foods Mark C. Azih, markazih@yahoo.com. Dept. of Chemistry, Ambrose Alli Univ., Ekpoma Edo State, Nigeria A comparison of four spectrophotometric methods of determining soluble proteins was carried out on some selected food samples. The methods used include the biuret, Folin-Lowry, Coomasie Brilliant Blue G-250, and absorbance at 280nm (E280). The Kjeldahl method for total crude protein estimation was also used. Each of the spectrophotometric methods exhibited some advantages and limitations. The values obtained are in the order: Coomasie Blue > biuret > Folin-Lowry > E280. The Folin-Lowry method showed the greatest deviation from the trend shown by the other methods. A scheme is proposed to explain the observed trend. AGFD 128 Mathematical model of methanethiol generation and degradation in anaerobic chemostats Dian Zhang1, dianz@vt.edu, Zhi-Wu Wang2. (1) Civil and Environmental Engineering, Virignia Tech, Manassas (2) Virginia Tech, Manassas Emission of odor-causing compounds produced during anaerobic treatment and storage of biosolids such asmunicipal sludge, animal manure, crops residues and food processing waste can cause odor impacts on treatment facilities and surrounding communities. Methanethiol (MT) is one of the predominate odor causing compounds produced under anaerobic conditions in several kinds of industries such as composting plants, anaerobic digesters and biosolids storage. Acidification of amino acid resulted in the formation of MT which was mainly consumed by methanogenesis activity. The kinetics of net MT production was modeled by quantifying the interaction of microbial population size involved in acidogenesis and methanogenesis under controlled growth rates. To control the growth rate of the microbes, floor-scale mesophilic anaerobic chemostats were employed at six different

dilution rate (D 0.067, 0.05, 0.04, 0.033, 0.025, 0.02 day-1). The steady state concentration of MT over dilution rate exhibited a bell-shaped curve with a peak of 0.03 mg/l MT in gas phase at D = 0.04 day-1. The microbial population sizes were estimated under each dilution rate by MT formation rate with methanogens inhibition and methane production rate. The modeling results show that the concentration level of MT is strongly correlated with the steady-state bacteria concentrations, although itself is neither a major acidification product or substrate source. Maintaining a methanogen favorable environment could potentially benefit odor-control and MT can be seen as an alternative indicator of process balance in anaerobic treatment. AGFD 129 Overview of beverage packaging innovations enabled by effective regulatory clearances Sylvester L. Mosley1, sylvester_mosley@yahoo.com, James C. Huang2. (1) Global Scientific and Regulatory Affairs, The Coca-Cola Co., Kennesaw, Georgia (2) Global Scientific and Regulatory, The Coca-Cola Co., Atlanta, Georgia 2017 marks the 20th anniversary of the FDA Modernization Act, an innovative statute that provides the definition of Food Contact Substances and establishes a new administrative procedure for safety review. Through a unique combination of proprietary notification and open disclosure, the Food Contact Notification (FCN) program has allowed the regulated industries to innovate with confidence and provide the general public with a record of packaging innovations. The purpose of this presentation is to provide a cursory overview of select effective FCNs that enable the beverage industry to package quality products for consumers while minimizing impacts to the environment. AGFD 130 Developing active surfaces through the implementation of nanotechnology Maria Rubino, mariar@msu.edu. School of Packaging, Michigan State Univ., East Lansing Novel packaging materials, systems, and processes provide an opportunity to introduce innovative strategies that extend the shelf life of food products by improving food safety and quality. A unique system consisting of the development of active surfaces for implementation in packaging systems may also minimize packaging material use while improving material functionality. Such an innovative packaging strategy includes the use of engineered nanoparticles (ENPs).A new approach was developed to design active surfaces based on dispersion of functionalized montmorillonite (MMT) nanoparticles in a coating to be applied on polymeric substrates. The organomodified MMT nanoparticle can be functionalized by immobilization or adsorption of active compounds, depending on the required active surface mode of action. The surface can be self-active when the active ingredient is immobilized on the MMT, or can exhibit sustained release when the active ingredient is adsorbed by the nanoparticle. A combination of both approaches can also be used. A proof of concept was conducted, using bactericides as the active ingredients, to evaluate the proposed system. Although the benefits of ENPs are significant, it is important to develop a basic understanding of the interactions between specific ENPs and the polymer matrix. With this knowledge it would be possible to predict the coarsening, clustering, and migration of the ENPs in the physical and biological environments that the particles may be in contact with. This presentation will discuss an innovative approach for the application of active surfaces and will address the safety of nanoparticles and nanocomposite systems as it applies to food packaging. AGFD 131 Active packaging using regenerated cellulose and hydroxypropyl amylopectin for fresh food products Victoria Finkenstadt, victoria.finkenstadt@ars.usda.gov, Jingyuan Xu. National Center for Agricultural Utilization Research, USDA, Peoria, Illinois As an alternate to non-sustainable plastic packaging, polymer blends were engineered using regenerated cellulose and a

hydroxypropyl functionalized starch derivative. Initially, films were cast out of solution to determine optimum blend composition, and then components were reactively extruded to incorporate additives and form thin films. The extruded films were modified with essential oils and other natural phytochemicals to impart water resistance, allow vapor permeability, and prevent or retard contamination by foodborne pathogens. Some additives also provided additional flavor and aroma benefits to the packaged food products. Mechanical properties were found to be similar to non-renewable plastic packaging such as polyethylene. AGFD 132 Halloysite nanotube/polyethylene nanocomposites as multifunctional active food packaging materials C. Erdinc Tas2, Buket Alkan2, Mustafa Baysal2, Fevzi C. Cebeci2,1, Serkan Unal1, Yusuf Z. Menceloglu2, Hayriye Unal1, hunal@sabanciuniv.edu. (1) Nanotechnology Research and Application Center, Sabanci Univ., Istanbul, Turkey (2) Faculty of Eng. and Natural Sciences, Sabanci Univ., Istanbul, Turkey Active food packaging materials that are designed to interact with food can greatly contribute to food safety and prevent economic losses caused by spoilage of food products. Halloysite nanotubes/polyethylene (HNT/PE) nanocomposites will be presented as active food packaging materials that can release antibacterial agents to prevent bacterial spoilage and absorb ethylene gas secreted by fruits and vegetables to prevent spoilage caused by overripening. Halloysite nanotubes that are natural clay nanoparticles with hollow tubular structures were utilized as the active component enabling the antibacterial and ethylene scavenging behaviors. Antibacterial essential oil loaded HNTs were coated onto the surface polyethylene films resulting in sustained release of antibacterial agents and reduce the viability of A. hydrophila up to 90%. HNTs were furthermore shown to absorb ethylene gas with a capacity of up to 0.85wt% as determined by gravimetric analysis, which results in corresponding HNT/PE nanocomposite films with significantly higher ethylene scavenging capacity than neat PE films. Antibacterial and ethylene scavenging properties of HNT/PE nanocomposite films were also demonstrated on food samples. Growth of pathogenic bacteria on surfaces of chicken samples packaged with HNT/PE films were reduced compared to samples packaged with neat PE films. HNT/PE nanocomposite films were also shown to slow down the ripening of bananas and retain the hardness of tomatoes and strawberries for longer time than PE films. AGFD 133 Direct chemical characterization of retail food packaging & prints Luke K. Ackerman1, Luke.Ackerman@fda.hhs.gov, Karim Bentayeb2, Miguel A. Lago3. (1) Analytical Chemistry, US-FDA Center for Food Safety & Applied Nutrition, Baltimore, Maryland (2) Dept. of Analytical Chemistry, Univ. of Zaragoza, Spain (3) Dept. of Analytical Chemistry, Nutrition and Food Sci., Univ. of Santiago de Compostela, Spain Although packaging plays a central role in food preservation and microbial safety, concern has been expressed surrounding chemical food safety, especially from packaging. While reaction, migration, and loss of compounds between food and packaging occurs often and to a small degree, the magnitude and type of these chemical interactions will dictate safety. Most modern food packaging and materials are chemically complex, layers of different polymers, adhesives, papers, foils, and invariably, prints. Innovations in print and packaging are continuous, and diverse and competitive markets spawn a multitude of niche and novel formulations and package configurations. As the concentration of a single package configuration or formulation gets diluted in this marketplace, the chemical diversity expands. Chemical characterization of modern food contact materials is an ongoing required task that provides data to inform safety concerns and fears. Forensic and survey analysis of foods and packaging has previously identified several unanticipated examples of this diversity. Examples include high transfer of

epoxsidized vegetable oils from PVC gaskets, off-odor hydrocarbon contamination of waxes for bag-in-box liners (including methylnaphthalenes), perfluorinated phosphate ester grease-proofers used for unapproved microwave susceptors, flame retardants and waste electronics from contaminated recycled thermopolymers in reusable food containers, and numerous thioxanthone, morpholino, benzoyl and phosphine ink photoinitiators setting-off from finished packages to food surfaces of adjacent unfilled packages. Such chemical characterization relies upon robust and modern analytical techniques applied to numerous packages and formulations. In this work we utilized techniques such as non-targeted analysis, high resolution mass spectrometry, direct or surface mass spectrometry, and more traditional ultra high performance liquid chromatography and gas chromatography mass spectrometry analysis. These techniques (including migration tests) were used to: 1. Determine if direct mass spectrometry could identify food packaging additives and components; 2. Directly and quickly detect photoinitiator set-off on retail food packaging; 3 Identify as many ink and packaging related components as possible present on the food contact surfaces of food packaging; and 4. Determine the incidence of photoinitiators on the food contact surface of retail food packages. AGFD 134 Oxygen and moisture barrier from polyelectrolyte-based nanocoatings on polymeric packaging film Jaime C. Grunlan, jgrunlan@tamu.edu. Texas A M Univ, College Station Polyethylene terephthalate (PET) and oriented polypropylene (OPP) are widely used in various packaging applications. Vapor deposited SiOx and AlxOy and polymer-clay nanocomposites coatings have been used to improve the gas barrier of these films, but these approaches often reduce flexibility and transparency. Layer-by-layer (LbL) assembly provides a cost-effective alternative. OPP film was coated with a polymer-clay LbL gas barrier nanocoating that improved oxygen and water vapor transmission rate (WVTR). A 30 bilayer polyethylenimine (PEI)/vermiculite (VMT) coating improved the oxygen transmission rate by more than 160X, rivaling most inorganic coatings. WVTR was simultaneously reduced by 42.5% relative to uncoated OPP. This water-based technology is both effective and scalable. Hydrogen-bonded multilayer thin films are very stretchable, but their gas barrier properties are modest compared to more traditional ionically-bonded assemblies like PEI/VMT. In an effort to improve the gas barrier of poly(ethylene oxide) (PEO) – poly(acrylic acid) (PAA) multilayer films, without sacrificing stretchability, montmorillonite (MMT) clay platelets were combined with PAA and alternately deposited with PEO. A ten bilayer PEO/PAA+MMT film (432 nm thick), deposited on a 1 mm polyurethane substrate, resulted in a 54X reduction in oxygen transmission rate and was note damaged after being strained 20%. This nanocoating system is currently the best combination of stretchability and gas barrier ever reported. It is also possible to deposit a high oxygen barrier coating in a single step using a polyelectrolyte complex of polyethylenimine and poly(acrylic acid). A two micron coating reduces the OTR of 175 micron PET by two orders of magnitude. These types of multilayer coatings are an effective and environmentally benign option for high barrier food packaging. AGFD 135 High-resolution mass spectromety as a sophiscated technique for screening non-intentionally added substances (NIAS) eluted from polyetheylene terephthalate bottle Atsushi Yamamoto2, tycobb_jp@mac.com, Taro Murakami3, Eri Kishi3, Motohiro Shizuma1, Asako Ozaki3. (1) Osaka Municipal Tech Res Inst, Japan (2) Tottori Univ Environ Studies, Tottori, Japan (3) Osaka City Inst Pub Health Environ Sci, Osaka, Japan Packaging materials can contain a wide range of known and unknown substances. Unreacted monomers, catalysts, and additives for production of polymer will be included. Chemicals such as impurities of ingredient, by-products, and degradation products are also plausible. These chemicals are

referred to as non-intentionally added substances (NIAS). NIAS identification is considered difficult because of the lack of information and the complexity of packaging material structures. Polyethylene terephthalate (PET) is a major polymer and the quantity demanded in Japan is over 600,000 tons per year. Current advances in mass spectrometry contribute to popularization of high-resolution mass spectrometry (HRMS) in various scientific fields. In the last decade, screening and identification of chemicals of emerging concern by MS are attracting attention. To understand migration of NIAS to bottled beverage, non-volatile polar NIAS was assigned as a main objective in this study. A liquid chromatography/mass spectrometry (LC/MS) system comprising ExionLC AD and X500R (SCIEX, Concord, ON, Canada) was used for non-target analysis. X500R mass spectrometer, which had a mass accuracy of 2 ppm, was used to acquire the HR mass spectra with a mass resolution of 30,000. Samples were prepared by total dissolution by heptafluoroisopropanol and solvent extraction by dichloromethane. Then, samples were diluted by acetonitrile and analyzed by LC/MS running in both positive and negative electrospray ionization modes. Both reverse-phase liquid chromatography and hydrophilic interaction liquid chromatography (HILIC) were applied. HILIC mode was more effective to separate polar NIAS from other chemicals. Numerous ions were detected in LC/MS observation. More ions were available for solvent extraction than for total dissolution. Several compound series with a constant interval of m/z 192.042 were present. This value corresponded to C10H8O4, a monomer unit of PET. The mass spectrum includes much information such as fragmentation, exact mass, neutral loss, adduct ion formation, and isotopic pattern. Each element sticks to fundamentals and but overlapped one another, so that the mass spectrum looks complex. It is cumbersome but usually possible to interpret the mass spectrum to determine a structure. Oligomers whose one terminal was carboxy group were tentatively identified by interpretation of mass spectra and confirmed by reference standards. Further assessment of these NIAS is necessary. AGFD 136 Reactive extrusion of polylactic acid/cellulose nanocomposite films: Crystallization and thermo-mechanical studies Vimal Katiyar, vkatiyar@iitg.ac.in. Chem. Eng., Indian Inst. of Tech. Guwahati, Assam, India This work reports reactive extrusion of polylactic acid based cellulose nanocrystals (PLA-g-CNC) using cross-linking agent dicumyl peroxide (DCP) in presence of different fillers through one-step twin-screw extrusion cum film casting process. The different nanofillers used such as nanosilica, nanoclays, carbon nanofibers, alumina nano powder etc. and vegetable oils with saturated and unsaturated fatty acid compositions acts as a compatibilizer in improving the grafting efficiency. Presence of such nanofillers lead to enhanced compatibilization between hydrophobic PLA and hydrophilic CNCs, alongwith remarkable improvement in its structural and physical properties. This is possibly due to formation of branched and cross-linked structures in PLA during reactive-extrusion process, which hindered the problems related to thermal-cum-shear induced degradation of PLA during processing. 1H Nuclear magnetic resonance (NMR) and Fourier Transform Infrared (FTIR) spectroscopy studies confirms the grafting between methine (-CH) groups of PLA with methylene groups(-CH2) of CNCs through formation of C–C bridge, the extent of grafting efficiency however depends on the inherent properties of the nanofiller used. The mechanism of chemical grafting during reactive-extrusion was confirmed from chemical analysis which suggests that the radicals generated on CNCs surface instantaneously reacts with amorphous PLA chains thereby shielding the sulphate and hydroxyl groups of CNCs and forming a thin layer of PLA grafted onto CNCs. Moreover, the presence of fillers especially the inorganic nanofillers helped in improving the dispersion and the biobased nano-filers shows enhanced grafting percentages. PLA-g-CNC films with

different nanofillers are capable of forming transparent films with improved dimensional characteristics compared to films extruded through traditional approach. Presence of DCP alongwith the nanofillers led to enhancement in molecular weight-average (Mw) and number-average (Mn) of fabricated nanocomposites the percentage increment depends upon the nanofiller type. Thermo-mechanical studies suggests that the grafted CNCs act as an efficient reinforcing agent, which is evident from decreased filler effectiveness coefficient values. Therefore, this study provides an alternative strategy to select the appropriate nanofillers through which the crystallization and thermo-mechanical properties can be finely tuned during the industrial scale extrusion cum film processing. AGFD 137 Influence of ligand chemistry on antimicrobial synergy of solid support bound metal chelators against acidophilic thermoduric bacteria Joshua E. Herskovitz1 Randy W. Worobo1, and Julie M. Goddard1 1Dept. of Food Sci.; Cornell Univ., Ithaca, NY Food grade antimicrobials such as benzoic acid nisin, and lysozyme show enhanced efficacy against antimicrobial resistant bacteria when paired with metal chelating material. Metal chelators are often added to foods in order to increase shelf life, to prevent oxidative degradation which may induce color or flavor changes, as well as assisting in preservative qualities of foods. Nonmigratory synthetic metal chelating packaging has proven a promising alternative to direct addition of chemical chelating compounds. In this work, commercially available chelating resins were used as a model for metal chelating active packaging to demonstrate the influence of ligand chemistry on Fe (III) chelating capacity and antimicrobial synergy at pH 4. Dissociation constants were determined using ATR-FTIR characteristic peak shift analysis of ligand active functional groups. The resins were normalized based on their respective chelating efficiency, 0.700 nmols of Fe (III), at pH 4 and synergistic effects with antimicrobial compounds were investigated using Alicyclobacillus acidoterrestris, a known juice and beverage spoilage bacteria. Alicyclobacillus acidoterrestris is a robust thermoacidiphilic bacteria which survives pasteurization and proliferates at pH<4.5 making it an attractive target for combined treatment. This work demonstrates the potential for enhancing efficacy of antimicrobial compounds by use of nonmigratory metal chelating active packaging, in support of on-going efforts to reduce additive use in food and beverage systems. AGFD 138 Flavors with modifying properties (FMP) Matthias A. Guentert, guentert@optonline.net. Entrepreneur at Consulting, Matthias A. Guentert, Ph.D., LLC, Ridgewood, New Jersey Commercial flavors have traditionally been used for many decades to impart odor and taste in various foods and beverages. While the focus in flavor research and development in all the years until about the year 2000 was almost entirely on adding volatile flavor components (retronasal odor) to the palette of raw materials it started shifting more recently to higher molecular weight components that rather affect the taste. In particular the scientific findings on how human taste perception physiologically functions have influenced the research work and the composition of flavors remarkably. Flavor ingredients (either existing ones or more often completely new ones) that have the ability to trigger responses specifically at the human receptors for sweetness and saltiness are increasingly being incorporated in commercial flavors to help consumer goods companies to reduce the use of caloric sugars (carbohydrates) and salt (sodium chloride) in their formulations. It is important to note that these new-type flavorings (now called flavors with modifying properties) must not taste sweet or salty on their own but rather help maintain or improve the overall flavor from a retronasal odor and taste perspective. This overview intends to describe the current situation from a scientific, development and regulatory view and

discuss some newer results. Its recent progress, advantages and limitations are critically reviewed. AGFD 139 FEMA Expert Panel safety evaluation of flavorings with modifying properties-focus on sensory testing approaches Christie Harman, charman@vertosolutions.net. Flavor and Extract Manufacturers Association, Washington, DC Flavorings with modifying properties (FMPs) are flavoring substances used by the flavor industry to modify the flavor profile of a flavoring and the food to which it is added. FMPs may modify the flavor profile by altering flavor attributes such as intensifying specific flavor characteristics (e.g., perceived fruitiness), reducing specific flavor characteristics, masking of off-notes or bitterness, or changing the time onset and duration of the perception of specific aspects of the flavor profile. The Expert Panel of the Flavor and Extract Manufacturers Association of the US (FEMA) evaluates new flavor ingredients, including FMPs, to determine if they can be considered “generally recognized as safe” (GRAS) for their intended use as flavor ingredients. The FEMA Expert Panel requires sensory data to be submitted as part of the FEMA GRAS application process to distinguish flavoring technical effects in finished food from other technical effects. FEMA’s “Guidance for the Sensory Testing of Flavorings with Modifying Properties” and the methodology of both sensory tests, and its applicability for FEMA GRAS, will be described in detail. AGFD 140 US regulatory authority to use flavor ingredients - flavor and food labeling implications Joanna Drake, jdrake@vertolegalsolutions.net. Flavor and Extract Manufacturers Association, Washington, DC The proper labeling of flavor ingredients, including flavors with modifying properties and flavor adjuvants, in the US is best understood within the context of the existing legal authority to use flavor ingredients. Under the authority of the Food Additives Amendment to the Federal Food Drug and Cosmetic Act (FFDCA), the Flavor and Extract Manufacturers Association of the US (FEMA) established the FEMA GRAS program which provides the primary route to achieve regulatory authority to use flavor ingredients in the US. As required by Section 201(s) of the FFDCA, FEMA GRAS determinations made by the FEMA Expert Panel address each of the statute’s four critical GRAS elements: 1) there is general recognition of safety by qualified experts; 2) the experts are qualified by scientific training and experience to evaluate the substance’s safety; 3) the experts base their determination of safety on scientific procedures; and, 4) the determination of general recognition of safety takes into account the substance’s conditions of intended use. The conditions of intended use impact not only the FEMA Expert Panel’s safety evaluation, but also any necessary labeling implications for bulk flavor labels and foods that contain added flavor. The necessary components of a flavor ingredient’s conditions of intended use, their importance in establishing regulatory authority to use a flavor ingredient and their implications on labeling will be discussed in detail. AGFD 141 Recent advances in the authenticity control of natural flavor ingredients Melanie Stuertz, melanie.stuertz@symrise.com, Johannes Kiefl, Torsten Geißler, Katrin Geißler, Jakob P. Ley, Gerhard E. Krammer. Symrise AG, Holzminden, Germany Natural flavorings are representing an additional value to consumers and are understood of being closer to nature. Global food and beverage manufacturers are following this trend. For the creation and production of natural flavorings the authenticity control of natural source materials and the evidence for the use of permitted natural processes, their sequence and conditions thereof is important. In order to safeguard the positioning and positive value recognition of natural flavorings the flavor industry continuously needs to develop and implement measures regarding the authenticity and the quality

assurance (QA) of natural flavoring substances in all regions following the corresponding legal requirements. This presentation will provide an overview about latest trends in the flavor industry and new methods and likewise techniques for the authenticity control of natural flavoring substances and processed natural ingredients. In addition the importance of authentic reference materials and comprehensive data collections for authenticity assessment will be discussed. AGFD 142 Identifying the mislabeling of natural food products with carbon-14 testing Florencia Goren, fgoren@betalabservices.com, Jasmine Garside. Beta Analytic , Miami, Florida Products labeled as “natural” that have been adulterated with synthetic analogues have become an unwelcome fixture in the global flavour, fragrance and supplement marketplaces. Carbon-14 is one isotopic tool that can be employed to identify mislabeling by measuring the percentage of plant-derived and petrochemical carbon in a compound or final product in solid, liquid or gaseous form. The method works because organic molecules in modern plants like almonds contain a known level of Carbon-14, while the law of radioactive decay and approximately 5730-year half-life of the radioactive isotope of carbon means molecules derived from fossil fuel like artificial benzaldehyde do not contain C-14. Accelerator Mass Spectrometry can measure the plant-/animal-derived versus synthetic source of the carbon contained in materials by measuring the amount of radiocarbon in the product relative to a National Inst. of Standards and Tech. (NIST) modern reference standard (SRM 4990C). This ratio is calculated as a percentage and reported as “percent modern carbon” (pMC). 100 pMC indicates entirely recent respiration such as from plants (100% natural source) and 0 pMC indicates fossil respiration such as in petroleum and petrochemicals (100% synthetic source). A value in between represents a mixture. “% Biobased Carbon” is the standardized unit for designating modern plant, animal or microbiological source as opposed to fossil sources in industrial applications such as biobased products, biofuels, CO2 emissions. The methodology has been standardized by CEN, ASTM and ISO and has been used by the USDA and in a number of government and private certification programs internationally. Since the FDA’s informal definition of “natural” specifies that products contain “nothing artificial or synthetic”, such an analytical tool may assist the flavour chemist or quality assurance team in identifying synthetic imitations of ingredients derived from petrochemicals that have been mislabeled as “natural”. AGFD 143 Dietary genistein ameliorates high-fat plus methylglyoxal-induced advanced glycation end products formation in mice Yantao Zhao, Pei Wang, Shengmin Sang, ssang@ncat.edu. Laboratory for Functional Foods and Human Health, Center for Excellence in Post-Harvest Technologies, North Carolina A&T State Univ., North Carolina Research Campus, Kannapolis The formation and accumulation of advanced glycation end products (AGEs) was considered as a major pathogenic link between hyperglycemia and diabetes-related complications. Methylglyoxal (MGO), as an important precursor of AGEs, circulates at high concentration in diabetic patients’s blood and is linked to the development of diabetes chronic complications. In the present study, we investigated whether long-term treatment of MGO plus high-fat diet can cause accumulation of protein glycation in mice and whether dietary genistein can prevent the formation of AGEs and ameliorate high-fat plus MGO induced metabolic syndrome. Our results indicate that chronic high-fat plus MGO administration significantly elevates the levels of MGO and AGEs in mouse plasma, liver and kidney, and cause fatty liver. Dietary genistein treatment significantly ameliorates high-fat plus MGO-induced fatty liver and metabolic syndrome, such as lowering body weight gain, plasma levels of glucose, cholesterol,

aspartate transaminase (AST), alanine transaminase (ALT), and liver triglyceride levels. Moreover, genistein administration also significantly decreases the levels of MGO and AGEs through multiple mechanisms. AGFD 144 Analysis of glyoxal-induced DNA and protein damage in blood of diabetic patients by mass spectrometry Hauh-Jyun C. Chen, chehjc@ccu.edu.tw. Chem Biochem Dept, Natl Chung Cheng Univ., Chia-Yi, Taiwan Glyoxal is the most reactive α-dicarbonyl compound released from glycated proteins. It is also present in the environment and in cigarette smoke. The mutagenic glyoxal reacts with biomolecules, modifying proteins and DNA causing cross-links between them which are implicated in complications associated with hyperglycemia. The plasma concentrations of glyoxal are higher in diabetic patients than in healthy individuals. Using a highly sensitive and specific stable isotope dilution nanoflow liquid chromatography nanospray ionization tandem mass spectrometry, we can accurately quantify glyoxal-induced DNA cross-links in human leukocytes starting from 50 mg DNA isolated from 2-3 mL of blood. Levels of these DNA cross-links are higher in type 2 diabetes mellitus patients than in healthy subjects. On the other hand, the sites and types of glyoxal-induced post-translational modifications on human hemoglobin were characterized using the shot-gun proteomic approach. These glyoxal-modified peptides were semiquantified n hemoglobin isolated from as little as one drop of blood. The extents of modification on certain sites of the peptides were higher in diabetic patients than in healthy individuals. The results suggest the potential use of these glyoxal-induced adducts in blood as feasible biomarker candidates to assess DNA and protein damage in diabetes mellitus. AGFD 145 Transketolase suppresses glycolaldehyde/glyoxal mediated formation of advanced glycation endproducts Marcus A. Glomb, marcus.glomb@chemie.uni-halle.de, Alexander Klaus, Christian Henning. Inst. of Chemistry - Food Chemistry, Martin-Luther-Univ. Halle-Wittenberg, Halle, Germany Short-chained carbonyl compounds like glycolaldehyde and glyoxal are very potent precursors of posttranslational protein modifications. These Maillard intermediates trigger the formation of e.g. the N6-carboxymethyllysine (CML) cascade, which includes CML, glycolic acid lysine amide (GALA), glyoxal lysine amide (GOLA) and glyoxal lysine dimer (GOLD). The reaction with arginine leads kinetically controlled to a dihydroxyimidazolidine, which hydrolyses to give the thermodynamically controlled endproduct N7-carboxymethyl arginine (CMA). The formation of glyoxal in vivo has been argued by increase in oxidative and carbonyl stress and thus been linked to various pathologies like uremia or diabetes. On the other hand, glycolaldehyde formation in vivo is so far only reported to stem from the degradation of the amino acid L-serine in presence of hypochlorous acid formed from superoxide and chloride by myeloperoxidase at sites of inflammation, but no concentrations are available. Here, we report for the first time on glycolaldehyde measured in vivo for healthy versus uremic human subjects. Second, to further explore alternative generation/detoxification pathways of this highly reactive Maillard agent we used model incubations with recombinant transketolase from E. coli in presence of bovine serum albumin and hydroxypyruvate and ribose-5-phosphate as the donor and acceptor substrates, respectively. No glycolaldehyde of the intermediate dihydroxyethyl thiamine diphosphate was released to the reaction mixture. In contrast, when glycolaldehyde was added to the incubation the carbonyl served as an alternative acceptor molecule to give erythrulose. In parallel the formation of glycolaldehyde mediated AGEs was significantly suppressed. This implies that transketolase activity in vivo might be crucial to control non-enzymatic glycolaldehyde Maillard reactivity.

AGFD 146 Targeted profiling: Quantitative analysis of multiple reactive carbonyl species in biological samples Pei Wang, pwang1@ncat.edu, Shengmin Sang. Laboratory for Functional Foods and Human Health, Center for Excellence in Post-Harvest Technologies, North Carolina A & T State Univ., North Carolina Research Campus, Kannapolis Reactive carbonyls are widespread species in living organisms with highly reactive carbonyl groups, and mainly known for their damaging effects on proteins, nucleic acids, and lipids. Accumulation of reactive carbonyl species (RCS) are closely linked to the developments of pathological disorders and diseases, such as diabetes, diabetic complications, and aging related diseases. To accurately address the relationship between the accumulation of RCS and the development of chronic diseases, informative methods utilizing HPLC and/or GC separations and mass spectrometry were developed, however, analyzing of multiple RCS is still a very challenging work, here we briefly summarized the pros and cons of current methods used for RCS analysis, and we further developed an LC-MS based targeted metabolomic approach for simultaneous quantifying of multiple RCS in different biomatrix, including mouse plasma and tissue samples. AGFD 147 Inhibitory effect of black tea theaflavins on advanced glycation end product formation in the fructose-induced protein system Yen-Jung Wang1, Ting-Yu Hsiao1, Shiming Li3, Min-Hsiung Pan2, Chi-Tang Ho3, Chih Y. Lo1, chihyu27@hotmail.com. (1) National Chiayi Univ., Chiayi City, Taiwan (2) National Taiwan Univ., Taipei (3) Food Sci., Rutgers Univ., New Brunswick, New Jersey The formation of carbonyl stress is closely associated with complications of diabetes. Reactive alpha-dicarbonyl compounds, such as glyoxal (GO) and methylglyoxal (MGO), have been investigated for their elimination when the natural products were introduced in vitro or in vivo. In our previous study, epicatechins in green tea and theaflavins in black tea were found to be able to reduce the concentration of MGO in physiological phosphate buffer conditions. The formation of reactive carbonyl species is regarded as the mid-stage of glycation route. The present study compared not only the effectiveness of dicarbonyl trapping by theaflavins in fructose/bovine serum albumin (BSA), but also the inhibition of fluorescent advanced glycation end products (AGEs) generation, fructosamine formation and beta-amyloid cross structure aggregation. AGFD 148 Tetrahydroisoquinoline derivatives by reaction of dopamine with methylglyoxal: Potential neurotoxins associated with Parkinson’s disease Wenbin Wu2, wwu@ncat.edu, Yantao Zhao2, Chi-Tang Ho1, Shengmin Sang2. (1) Food Sci., Rutgers Univ., New Brunswick, New Jersey (2) Laboratory for Functional Foods and Human Health, Center for Excellence in Post-Harvest Technologies, North Carolina A & T State Univ., North Carolina Research Campus, Kannapolis Induction of parkinsonism disease by 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) suggest that endogenous or xenobiotic neurotoxins may elicit Parkinson’s disease. There have been increasing evidences indicating that dopamine-derived tetrahydroisoquinolins may be possible dopaminergic neurotoxins. In this study, we investigated the reaction between dopamine and methylglyoxal, one of the major reactive dicarbonyl species in diets and in vivo. Three major tetrahydroisoquinoline derivatives were identified by NMR and mass spectrometric analysis. The formation of these tetrahydroisoquinolines in mouse brain was analyzed by LC/MS. The toxicity of these compounds to SH-SY5Y neuroblastoma cells was further studied. Our results shed light on a novel pathway of dopamine modification relevant to the mechanisms underlying neurodegenerative changes in Parkinson’s disease and other disorders. AGFD 149 Neuroprotective effects of anthocyanin-enriched extracts of common edible berries are mediated by their antioxidant

and carbonyl trapping capacities Hang Ma1, hang_ma@uri.edu, Shelby Johnson1, Nicholas DaSilva1, Weixi Liu2, Susan M. Meschwitz3, Joel Dain2, Navindra P. Seeram1. (1) Bioactive Botanical Res. Lab., Biomedical and Pharmaceutical Sciences, College of Pharmacy, Univ. of Rhode Island, Kingston (2) Chemistry Dept., Univ. of Rhode Island, Kingston (3) Chemistry, Salve Regina Univ., Newport, Rhode Island The accumulation of advanced glycation end products (AGEs) leads to inflammatory responses via the receptor of AGEs (RAGE) and to neurodegenerative diseases such as Alzheimer’s disease (AD). As part of our continued research interest in identifying dietary agents for AD prevention, herein, we evaluated the neuroprotective effects of anthocyanin-enriched extracts (ACR) purified from six common edible berries, namely, blackberry (Rubus spp.), black raspberry (Rubus occidentalis), blueberry (Vaccinium angustifolium), cranberry (Vaccinium macrocarpon), red raspberry (Rubus idaeus), and strawberry (Fragaria ananassa). ACRs (at 100 µg/mL) were evaluated for their inhibitory effects on the formation of advanced glycation endproducts (AGEs) induced by fructose or reactive carbonyl species, namely, methylglyoxal (MGO). Berry ACRs inhibited fructose- and MGO-induced AGEs formation by 42.4-83.6%, and 26.7-66.3%, respectively. In addition, the MGO trapping capacities of ACRs were evaluated. Berry ACRs scavenged MGO by 13.7–32.8%. Next, the inhibitory effects of berry ACRs on thermo- and MGO-induced fibrillation of beta amyloid (Aβ) were evaluated using the ThT assay. Berry ACRs (at 100 µg/mL) inhibited thermo- and MGO-induced Aβ fibrillation by 24.3-52.1% and 18.4-24.2%, respectively. The neuroprotective effects of berry ACRs were next evaluated in murine microglial (BV-2) cells after exposure to lipopolysaccharide (LPS). Berry ACRs (at 10 µg/mL) reduced nitric oxide levels in media by 19.5-31.6% as compared to BV-2 cells exposed to LPS alone. The neuroprotective effects of the berry ACRs against oxidative and carbonyl induced stresses in human neuronal (SY-SH5Y) cells are being currently evaluated. AGFD 150 Carbonyl-trapping ability of phenolic compounds: An additional protective role of phenolic compounds against the broadcasting of the lipid oxidative damage in foods Rosario Zamora, Francisco J. Hidalgo, fhidalgo@ig.csic.es. Instituto de la Grasa-CSIC, Sevilla, Spain Lipid oxidation is responsible for the deterioration of polyunsaturated lipids and produces changes in the flavor, texture, appearance, and nutritional quality of food products. Phenolic compounds are frequently employed to delay this process by scavenging the free radicals that either initiate the lipid oxidation or take part in the propagation of the free radical chain. However, phenolic compounds have also been shown to exhibit protection in some reactions that occur without the presence of free radicals. This protection is consequence of the still poorly understood ability of phenolic compounds to trap the carbonyl compounds produced in the course of lipid oxidation. This presentation will analyze these carbonyl-phenol reactions by describing how the different lipid-derived carbonyl compounds are scavenged by phenolics and in what way the corresponding carbonyl-phenol adducts are produced. The involved reaction mechanisms, the selective trapping of carbonyl compounds as a function of their structure, the structure-activity relationships of phenolic compounds for these reactions, and the detection of carbonyl-phenol adducts in food products will be discussed. AGFD 151 Developing novel chemical imaging approaches in agriculture using mass spectrometry Suresh Annangudi1, apsbabu@hotmail.com, Jeffrey R. Gilbert2, Steve Wilson1. (1) Dow AgroSciences, Indianapolis, Indiana (2) Building 306/A2, Dow AgroSciences, Indianapolis, Indiana As we strive towards feeding an ever-growing world population, modern agricultural practices continue to play a very important role in increasing crop yields.

Analytical tools that can determine changes in chemistry within plant tissues can not only be very helpful in selecting a desirable genetic trait but can also assist in increasing efficacy of crop protection active ingredients (a.i.) by decreasing their use rates, and ultimately reducing the overall environmental profile. Mass spectrometry (MS) has long been used to assess the xenobiotic metabolism of agricultural chemicals and assist in development of new chemistries. This presentation will focus on novel applications of imaging mass spectrometry (IMS) in agricultural R&D. We have shown the ability of MALDI-MS to assess the mobility of agrochemicals on the leaf surface and effectively use this information to optimize formulations. Furthermore, we have shown that LAESI-MS can be used to determine the efficiency of formulation components to enable penetration through the leaf surface. These tools are helping us devise new formulations that are highly efficacious and that will require less a.i. to be applied in the field. LAESI-MS can also be used as a tool to non-destructively analyze canola seeds in order to determine their oil profile and select for seeds with desirable characteristics. Developing new methods with novel applications of modern analytical tools we are delivering significant value to farmers and greatly enhancing their ability to move towards more sustainable agricultural practices. AGFD 152 Controlling physical properties of β-lactoglobulin microgels to enhance emulsion stabilization Owen G. Jones, joneso@purdue.edu. Nelsen Hall, Purdue Univ., West Lafayette, Indiana Whey proteins assemble into 200-500 nanometer spherical aggregates during thermal treatment in mildly acidic solution, and these “microgels” possess promising attributes as textural modifiers or interfacial stabilizers. Research over the past several years has shown that multiple factors will contribute to the aggregation rate of the protein during thermal treatment, ultimately affecting the size of the resulting microgels. Such factors include physical blocking of aggregation sites by interaction with charged polysaccharides, relative increases in protein interactions by incorportaion of different ion specie, and decreased covalent bonding by reducing agents. Once the microgels are formed, the structure may be further modified by chemically- or enzymatically-induced crosslinking, which affects the capacity of the microgels to swell or shrink in good or poor solvating conditions, respectively. Interfacial tension measurements have shown that these microgels adsorb to oil-water interfaces much slower than the consituent protein, and the rate is inversely correlated with the microgel size. Microgel-loaded interfaces are highly elastic and resist coalescence but are not as resilient against volatile diffusion as predicted for fully solid particles. However, the microgels have been used to prepare oil-in-water emulsions with excellent stability to coalescence across a wide range of pH and ionic strength conditions, and their composition of whey protein makes them promising as highly nutritious, naturally-sourced ingredients. AGFD 153 Desired flavor-active and undesired food-borne toxicants in our food: How food chemists can help to produce healthier foods with good sensory attributes Michael Granvogl, michael.granvogl@ch.tum.de. Technical Univ. of Munich, Garching, Germany Aroma research in the 21st century is much more than "only" characterizing the aroma of a certain food. Mostly, a decoded aroma is only used as a basis for further research going much more into detail including (i) technological aspects to improve sensory impressions, but also to prevent the formation of off-flavors, (ii) the characterization of precursors, or (iii) the demand for sources of "all natural" aroma compositions. Besides the formation of a desired aroma, the simultaneous consideration of toxicologically relevant compounds during food processing has gained great importance for researchers as well as for the food industry, but also for all consumers preparing their food at home. To fulfill all these requirements, a combination of analytical-instrumental techniques and sensorial investigations is very important. The lecture will present lots of

examples of the abovementioned topics including the development of quantitaion methods or the elucidation of formation pathways of food-borne toxicants, which are both necessary to be able to advice mitigation strategies in combination with the maintenance of the flavor expected by the consumers. AGFD 154 Dietary intake of oxidized lipids exacerbates colon inflammation and colon cancer through activation of Toll-like receptor 4 (TLR4) Guodong Zhang, guodongzhang@umass.edu. 245 Chenoweth Laboratory, Univ. of Massachusetts Amherst In the last century, there has been a dramatic increase of dietary consumption of unsaturated lipids in US, mainly in the form of linoleic acid (LA, 18:2ω-6)-rich vegetable oils. Unsaturated lipids are known to be chemically unstable and highly prone to lipid peroxidation during food processing, storage, and consumption. However, to date, the effects of oxidized lipids on human health are not well understood. Our recent studies showed that compared with un-oxidized lipids, dietary intake of oxidized lipids, even at relatively low oxidaitve status, promoted progression of colon inflammation and associated colon cancer in mouse models. The pro-coitis and pro-colon cancer effects of oxidized lipids were abolished in Toll-like receptor 4 (TLR4)-knockout mice, suggesting that oxidized lipids promote colon inflammation and colon cancer through TLR4-dependent mechanisms. We futher found that the formation of 4-hydroxynonenal (4-HNE) and similar lipid peroxidation products contributed to the adverse effects of oxidized lipids. Since the oxidized lipids are commonly found in our daily life, our results suggest that the individuals with or prone to colon inflammation (e.g. inflammatory bowel disease) and colon cancer may need to reduce the dietary intake of oxidized lipids AGFD 155 Construction of the next generation platforms to monitor food contamination and food fraud Xiaonan Lu, xiaonan.lu@ubc.ca. Food Sci., The Univ. of British Columbia, Vancouver, Canada Microbiological and chemical contaminations of foods are critical international food safety problems. In the meanwhile, food fraud and adulteration have been emerging in the recent decades. As the principal investigator of Food Safety Engineering Laboratory at Univ. of British Columbia, Dr. Lu will introduce the newest rapid methods to monitor food contamination, food adulteration, and their traceability across the value chain. He will discuss different advanced techniques developed in his group for the detection of chemical and microbiological hazards in agri-food commodities, including PCR-based and photonic-based microfluidic “lab-on-a-chip” platforms, hybrid multi-locus sequence typing with confocal micro-Raman spectroscopy, molecularly-imprinted polymers-based biosensors, and loop-mediated isothermal amplification conjugated with quantum dots and other optical-based nanoparticles. He will also discuss high throughput and portable instruments developed in his group, such as portable infrared, Raman, and NMR spectrometers, for fingerprinting food contamination, fraud, and adulteration, which will ultimately speed food commodity testing and improve trade. AGFD 156 Frontiers in food forensics and authentication Alyson E. Mitchell, aemitchell@ucdavis.edu. Food Sci. Tech., UC Davis The extraordinary globalization and interconnectedness of the world’s food supply has raised awareness of vulnerabilities in our food production and distribution systems. New and challenging risks continue to emerge as food supply chains become increasing international and complex. Although risks vary, they include microbial and chemical contamination, presence banned substances (e.g. dyes, drugs, pesticides) and undeclared allergens in food, and economically motivated food adulteration (EMA). Many tactics can be used to lower the economic value, quality and potential safety, of foods including: replacing high value ingredients with lower value

ingredients, using additives to mask quality, and adding chemicals to mislead standard testing methods. Consumers, industry representatives, and regulatory agencies are demanding new ways to rapidly authenticate the food and beverage supply. This presentation will highlight emerging issues and approaches for detecting system weaknesses, developing authentication protocols, monitoring and validating distribution and processing systems and protecting the safety and security of food in a globalized marketplace. AGFD 157 Food defense: Defining food system disruptions Amy Kircher, akircher@umn.edu. Univ. of Minnesota, Food Protection and Defense Insitute, St Paul Of all the critical infrastructures in the US, food and agriculture is of the utmost importance. You cannot opt out of eating! Unfortunately, the intentional adulteration of our food is taking place with increasing frequency. Typically, the adulteration is borne out of food fraud and the desire to make money (e.g., horse meat used as substitute for beef or wood pulp added to cheese). However, sabotage and terrorism also have resulted in adulterated foods. This presentation will provide an overview of global food system disruption. AGFD 158 Spectroscopy based methods for detection of food adulteration Xiaonan Lu1, Barbara Rasco2, brasco@udaho.edu. (1) Food Sci., Univ. of British Columbia, Vancouver, Canada (2) School of Food Sci., UI/WSU, Pullman, Idaho Spectroscopic based methods provide a basis for rapid sensing of food adulterants both those that could cause illness as well as ones added to food to perpetrate economic fraud. Here we will discuss advances and applications of: Fourier Transform Infrared Spectroscopy (FTIR), Surface Enhanced Raman Spectroscopy (SERS), nuclear magnetic resonance spectroscopy (NMR), and mass spectroscopy including the application of molecularly imprinted polymer, microfluidics, and nano-based single-molecule biophotonics for detection of pesticide residues, drug residues including growth promoters and antibiotics, biotoxins including histamine, heavy metals, unapproved color additives, and adulterants such as melamine. Use of spectroscopic features of biometals to determine whether foods such as olive oil, saffron, milk, fish, honey or fruit juices have been adulterated will also be discussed, AGFD 159 Non-targeted methods for characterization of foods and botanicals James Harnly, james.harnly@ars.usda.gov. Beltsville Human Nutrition Research Center, USDA, Beltsville, Maryland Characterization of foods and botanicals has been described in many terms, e.g., identification, authentication, similarity, detection of adulteration, taxonomic exactness, or phyto-equivalence. The need for characterization varies considerably depending on whether the item is a food or a botanical. Regardless the terminology or the need, the problem is the same and is best addressed by comparison of the test material to reference materials using non-targeted methods with chemometric analysis. Non-targeted analysis implies that no specific compounds are being used for the comparison. As a result, a broad chemical survey is preferable that incorporates as many of the sample’s chemical components as possible. This goal is best achieved using analytical methods such as chromatographic or spectral fingerprinting with every data point a potential marker. At this stage of the analysis, there is no interest in identification or quantification of compounds. For non-targeted analysis, the best chemometric approach is class modeling (a one class classifier) based only on the reference sample fingerprints. The fingerprint of the test sample is then compared to the model for the reference samples and is determined to fall within or outside pre-determined statistical limits. This approach assumes that the test sample should have the same composition as the reference samples. This approach will be demonstrated for the analysis of skim milk powders for adulterants

using NIR and NMR and for the authentication of Maca (Lepidium meyenii) by direct injection MS. AGFD 160 Standardization of non-targeted methods for food adulteration prevention Zhuohong Xie, kyx@usp.org, Jeffrey Moore. Food Standards, US Pharmacopeia, Rockville, Maryland Based on recent market trend and numbers of scientific publications, non-targeted testing for potential adulterants in foods and food ingredients is becoming a more common approach. A non-targeted method for detecting adulteration is one which models the properties of the authentic material, rather than the properties of the adulterants or any of the adulterant's characteristics. Confusion on terminology and lack of guidance on procedures to develop and validate non-targeted methods for food fraud detection has hindered wider use of these methods in food industry. To address this need, US Pharmacopeia has developed a guidance document on non-targeted methods. The document covers all aspects of non-targeted testing, from the collection and analysis of reference samples, through development of the non-targeted testing statistical models, to monitoring and maintenance, as well as advice on abnormal samples handling. AGFD 161 Fingerprinting and metabolomics applications in food/botanical authentication and quality evaluation Jianghao Sun2, Jianghao.sun@ars.usda.gov, Pei Chen1. (1) USDA, Beltsville, Maryland (2) USDA-ARS, Beltsville, Maryland Fingerprinting and metabolomic approaches show great potential in differentiation of the geographical origins, grow conditions, species and cultivars, and storage conditions of food and botanicals. We developed the flow-injection mass spectrometric fingerprinting (FIMS), and ultra-high performance liquid chromatography tandem high resolution mass spectrometry (UHPLC-HRMS) based metabolomic methods for food/botanical quality evaluation and authentication. FIMS is a high throughput metabolite fingerprinting method with little sample preparation, no chromatography, and instrument cycle times of less than 2 min, and it has been successfully been employed to differentiate the skullcap from toxic germander, conventionally and organically grown grape fruit and different origins of cinnamon. In comparison with FIMS, UHPLC-HRMS based metabolomics can give a better understanding of the whole metabolome and then target the components which are responsible for the group differences. The metabolomic analysis of apples, daylily and microgreen broccoli was used as examples to show the advantages of non-targeted metabolomic approach in food species differentiation, food processing and postharvest storage. AGFD 162 HPLC fingerprinting for authentication of Berberis species Nutan Kaushik, kaushikn@teri.res.in, Daya Bharadwaj. The Energy of Resources Inst, New Delhi, India The stem, stem bark, roots and root bark of Berberis species are used in various Ayurvedic, homeopathic and ethno-medicines as raw material or as an ingredient. Selection of raw material is very important to get the desired active compounds in the prescribed range in an herbal preparation. A simple and sensitive analytical method has been developed and validated for authentication and identification of Berberis plant parts and species using HPLC fingerprinting in conjunction with chemo metric method. Diverse sets of experiments were conducted using univariate approach by selecting different extraction variables such as weight of sample, type of solvents and sample to solvent ratio, method of extraction and HPLC method. All the optimizations were done statistically using Duncan’s ranking method based on total extractive value (%) and /or berberine content (%).Identification and authentication of different parts of the plant and species was done by plotting the score plot and loading plots generated from Principle Component Analysis (PCA) using the multivariate software

Unscrambler X (version 10, CAMO, USA). AGFD 163 Ohmic heating and its advantages for clean labeling Sudhir Sastry, sastry.2@osu.edu, Taras Pyatkovskyy, Chaminda Samaranayake. The Ohio State Univ., Columbus Ohmic heating was originally developed to take advantage of the energy generated by the passage of electrical current to heat foods. However, it has become clear in recent years, that a significant nonthermal component also exists, which may be synergistic with the generated heat, to yield outcomes that are not possible with typical nonthermal processes. One finding is that the inactivation rates of bacterial populations (both vegetative cells and spores) are accelerated due to the influence of the electric field. The other, more recent finding pertains to the effect of ohmic heating on enzymes, which are both thermally and electrophoretically agitated, resulting in an effect similar to a temperature elevated above the actual measured temperature. The effects on polar and nonpolar molecules differ, based on this same principle. These effects imply reduced need for preservatives and additives, resulting in the possibility of clean-label products. AGFD 164 Limited survey of dark chocolate and bakery products for undeclared milk Binaifer Bedford1, Ye Yu2, Xue Wang2, Lauren Jackson1, Lauren.Jackson@fda.hhs.gov. (1) FDA, Bedford Park, Illinois (2) IFSH, Illinois Inst. of Tech., Bedford Park, Illinois Milk is one of the most common food allergens, affecting about 3% of infants and young children. Undeclared milk in dark chocolate and bakery products has been responsible for numerous allergen-related recalls in the U.S. In response to these events, a study was initiated to survey dark chocolate and bakery products (dry mixes and pre-packaged cookies) for undeclared milk using commercially available quantitative ELISA kits. Dark chocolate products with any milk advisory statement contained milk above the limit of quantitation [2.5 µg/g (ppm)] in 75% of the bars, with the majority having levels >1,000 ppm milk. In addition, 15% of chocolates labeled “dairy-free" or "lactose-free”, and 25% labeled “vegan” tested positive for milk, all with concentrations >1000 ppm milk. Even 33% of chocolates with no reference to milk on the label contained 60 to 3400 ppm milk. Dry bakery mixes without a milk advisory statement, a dairy-free statement, and milk ingredient statement tested positive in nearly 9% of the survey samples (2-16 ppm milk), while all cookies in this category tested negative. Bakery products bearing advisory and/or dairy-free statements were also evaluated and none were found to contain detectable amounts of milk. For both food groups evaluated in this study, the type of advisory statement for milk did not predict the amount or absence of milk protein found in products. Consumers with milk allergies should be cautious when purchasing dark chocolate products, particularly those that have a milk advisory statement. The study also indicates that some bakery products with advisory statements for milk may pose a risk to consumers. AGFD 165 Applications of isothermal calorimetry for food safety Lars Wadsö, lars.wadso@byggtek.lth.se. Lund Univ., Lund, Sweden Isothermal calorimetry is the measurement of heat production rate (thermal power) as a function of time on samples that typically have a size of 1-100 mL. The measurement takes place at constant temperature and continuously monitors the heat produced by processes in the sample. In the food safety field the main interest is the heat produced by microbial activity. In the case of aerobic processes (respiration), the heats are high and constant per mole oxygen consumed; for anaerobic processes, the heats are lower and variable, depending on the end-products of the fermentation processes. Isothermal calorimetry can detect (exponential) growth of microorganisms, but not the existence of inactive microorganisms, toxins etc. per se.Three uses of isothermal calorimetry stand out in the field of food processing and food safety: 1. The use of multi-

channel calorimeters to assess the result of different process conditions, microorganisms, substrates etc. on shelf life in the science and technology of food processing development. The usefulness in this case comes from the fact that the calorimeter makes a sensitive and continuous measurement of the microbial kinetics. 2. Isothermal calorimetry as a complement to plate counts, as in calorimetry only one measurement is needed to monitor the development of the microbial community, instead of many labor intensive dilutions and counting of plates. 3. It has the potential to measure heat produced inside packaged food without opening the packages. This can be useful when testing aseptic packaging techniques. All three aforementioned uses of isothermal calorimetry have been tested, but are not yet used on a large scale in the food field AGFD 166 FSMA and the current good manufacturing practice, hazard analysis, and risk-based preventive controls for human food rule Lillian Hsu, Lillian.Hsu@fda.hhs.gov. FDA CFSAN, College Park, Maryland The FDA Food Safety Modernization Act (FSMA), signed into law by President Obama on Jan. 4, 2011, enables FDA to better protect public health by strengthening the food safety system. It enables FDA to focus more on preventing food safety problems rather than relying primarily on reacting to problems after they occur. The law also provides FDA with new enforcement authorities designed to achieve higher rates of compliance with prevention- and risk-based food safety standards and to better respond to and contain problems when they do occur. Currently, FDA has issued seven foundational rules directed by FSMA. This presentation will focus on one of these foundational rules, the Current Good Manufacturing Practice, Hazard Analysis, and Risk-Based Preventive Controls for Human Food final rule (found in 21 CFR Part 117). This final rule is the product of a tremendous level of outreach by the FDA to industry, consumer groups, the agency’s federal, state, local and tribal regulatory counterparts, academia and other stakeholders. In general, Part 117 establishes new requirements for covered domestic and foreign facilities producing human food to develop and implement a food safety plan based on hazard analysis and risk-based preventive controls. This involves: (1) evaluating the hazards that could affect food safety, (2) specifying what preventive measures, or controls, will be put in place to significantly minimize or prevent the hazards, (3) specifying how the controls will be monitored to ensure they are working, (4) maintaining records of the monitoring, and (5) specifying what actions the facility will take to correct problems that arise. AGFD 167 FSIS food regulatory and labeling overview Jeff Canavan, jeff.canavan@fsis.usda.gov. USDA, Food Safety and Inspection Service, Washington, DC The Food Safety and Inspection Service (FSIS) regulates meat, poultry, and egg products. FSIS has implemented additional governance and regulatory structures to ensure food labels meet strict criteria to ensure labeling is truthful an not misleading inclduing new guidelines on special statements and claims. This presentation will cover recent updates on special statements and claims as well as the recent implementation of new USDA programs and audits inclduing: identifying natural & special claims, animal production raising claims, and prior label approval. AGFD 168 From chemosensory codes to unified flavor quantitation Thomas Hofmann1, thomas.hofmann@wzw.tum.de, Andreas Dunkel2. (1) TU München, Neufahrn, Germany (2), Technical Univ. of Munich, Freising, Germany The hedonic evaluation of food flavors is due to the high discriminatory power of the olfactory and gustatory system arising from ~380 odorant and ~30 taste receptors. In contradiction to traditional views, the sheer unlimited variations in food flavors have recently been shown by the so-called Sensomics approach to be due to a “combinatorial

chemosensory code” comprising a surprisingly small center group of 3 - 40 key food odorants (KFOs) per item, out of ~230 KFOs out of the 10.000 food-born volatiles, and 10 - 40 key food tastants and taste modulators per item, out of the several thousands of non-volatile food constituents. Chemosensory recombinants of 3 - 40 key odorants and 15 - 40 key tastants were found to be necessary and sufficient for “synthesizing” the authentic percept of a specific food flavor. The finding that odor and taste are based on a combinatorial interplay of a limited number of volatile and non-volatile food constituents opens new avenues for the comprehensive quantitative assessment of food flavors by means of targeted multiparametric analysis. While their volatility made odorants predestined for analysis by means of gas chromatographic techniques and the advent of liquid mass spectrometry enabled the efficient analysis of non-volatiles, combined high-throughput quantitation of key odorants and tastants enabling a comprehensive analytical flavor assessment is still out of reach. Therefore, future focus needs to be put on the unified flavor quantitation utilizing the advancement in UHPLC-MS/MSMRM techniques combining high sensitivity, selectivity and linearity. First achievements will be presented to reach that goal using apple juice as an example. AGFD 169 Using data tools and data visualization to interpret multifactorial flavour datasets Andrew J. Taylor1, flavometrix@btconnect.com, Donald S. Mottram2. (1) Flavometrix Limited, Long Whatton, United Kingdom (2) Dept. of Food and Nutritional Sciences, Univ. of Reading, United Kingdom Flavour research typically involves multifactorial-type experiments to understand the interactions between factors like raw materials, processing, chemical and sensory analyses. Developments in business, in pharmaceutical research and in genomics have led to the availability of software tools that allow large amounts of data to be analysed on one platform. Data can be text or numerical and interrogation can use combinations of both to data-mine and identify significant factors, or simply used to test hypotheses. Analysis uses the conventional statistical tools like ANOVA, PCA, PLS and clustering but, with all the data present, it is easier to interrogate the data in many different ways and visualise the outputs in 2D and 3D formats, thus making it easier to explain results to managers or clients. To demonstrate the potential of these techniques, existing data on the production of volatile aroma compounds from three different cereals (oats, wheat and maize) during extrusion (different levels of moisture, time and temperature) was further analysed. The presentation will show how data can be easily imported from pdf or spreadsheet files and “data wrangled” to add other types of data (e.g. structures, molecular formulae, or physico chemical parameters like logP). After importing into one of the commercially available data visualisation platforms, examples will be given to show the power of this type of data analysis, which can represent many different parameters simultaneously, unlike the conventional 2D tables of data or the restrictions of standard spreadsheet chart-plotting tools. AGFD 170 Efficient aroma analysis through non-targeted pre-screening followed by detailed analysis using on-line MS and GC-EI/APCI-MS Jun Hatakeyama2, hatakeyamaj@nichirei.co.jp, Andrew J. Taylor1. (1) Flavometrix Ltd, Loughborough, United Kingdom (2) Nichirei Corporation, Yokohama, Japan Non-targeted analysis is often used as a pre-screening step to determine what differences exist between samples and identify which samples should be submitted for more detailed analyses. In this study, the methodology was applied to food aroma analysis. Headspace analysis using on-line MS is well-suited to non-targeted analysis because of its short analytical time (around 30 seconds). A combination of headspace analysis (using on-line APCI-MS; MS-Nose) and statistical analysis of variance, (ANOVA) was carried out on two commercial Camembert cheeses to find differences in their aroma

profiles. Although ions that vary significantly can be identified, the challenge with on-line techniques like APCI-MS and PTR-MS is assigning ions to specific aroma compounds because several compounds can produce ions with the same m/z values. To assign ions that had significant differences in ANOVA to specific compounds, a standard GC-MS was set up to provide simultaneous detection by EI/MS and by APCI (GC-EI/APCI-MS). The ion at m/z = 89 in the APCI trace showed the greatest variation in ion intensity between the samples (p < 0.0001) and was associated with the isobaric compounds ethyl acetate and 3-hydroxy-2-butanone (both C4H8O2) by GC-EI/APCI-MS. Moreover, real time monitoring of the ion at m/z = 89 and several other selected ions was carried out during eating of the two Camembert cheeses using MS-Nose to measure aroma release in vivo. Differences in aroma release were found in vivo both from the ion at m/z = 89 and from the ion at m/z = 87 which was assigned to 2-pentanone and 2,3-butandione. The combination of rapid headspace analysis using MS-Nose, data manipulation (ANOVA) and measuring aroma release in vivo using MS-Nose allowed key differences between the cheeses to be identified in this study and advantages of this analytical approach will be discussed. AGFD 171 Rapid, sensitive, and spatially resolved measurements of trace volatiles using sorbent meshes and high-resolution ambient ionization mass spectrometry Gavin L. Sacks, gls9@cornell.edu, Jillian A. Jastrzembski, Madeleine Y. Bee. Food Sci., Cornell Univ., Ithaca, NY Measuring the concentration and distribution of volatiles in foods and other agricultural products is of considerable interest to food scientists and members of related fields due to their role in aroma and chemical communication. However, strategies for performing high-throughput measurements of trace-level volatiles, or for generating images of the distribution of volatiles within a sample, has lagged behind many other physiochemical traits (e.g. major metabolites, color, texture). We have recently proposed to use novel sorbent meshes (SPMESH) to extract trace volatiles from complex matrices while preserving the spatial distribution of the original sample. SPMESH can then be coupled to ambient ionization – mass spectrometry, e.g. Direct Analysis in Real Time (DART)-MS, avoiding the use of slow gas chromatography – mass spectrometry (GC-MS) analyses. Using SPMESH-DART coupled to a high resolution mass spectrometer (Orbitrap Elite) we can achieve detection limits from 2 ng/L to 3 µg/L for four common volatiles in grape samples with an analysis time of <30 seconds per sample. We also show that SPMESH materials can be used with micro-titer plates to achieve rapid, parallel extraction of volatiles, which can then be efficiently analyzed by DART-MS using an automated positioning stage AGFD 172 Targeting taste-active peptides in foods by new approaches in peptidome analysis Karin Sebald, Karin.Sebald@tum.de, Andreas Dunkel, Thomas Hofmann, Technical Univ. of Munich, Freising, Germany In many foods and, in particular, in fermented products, like dairy products, cocoa, soy sauce etc. sensory active peptides have been proposed to contribute to the typical taste profile. Since several decades, such key taste-active peptides have been located among the complex profile of peptides in foods by applying a time- and labor-consuming iterative fractionation approach. The advent of modern proteomics and bioinformatics tools opens new avenues towards a more rapid food peptidome analysis. Smart combination of bioinformatics and targeted proteomics protocols with molecular sensory science tools holds promise to enable a straightforward identification of taste-active peptides in complex food peptide mixtures. This approach will be presented for the identification of bitter peptides in fermented fresh cheese as an example. Validated by using synthetic references and human sensory analysis, 15 bitter peptides were found with taste thresholds ranging

from 40 µmol/L for ARHPHPHLSFM to 800 µmol/L for IQKEDVPS, while the peptides EIVPNS[phos]VEQK and INTIASGEPT were not taste-active up to a maximum concentration of 2000 µmol/L. New strategies on how to most effectively locate and identify these taste-active peptides will be presented for the first time. AGFD 173 Streamlined approach for the determination of aroma components of aged liquors Wenqi Zhu, wzhu14@illinois.edu, Keith R. Cadwallader. Dept. Food Sci. Human Nutr., Univ. of Illinois, Urbana An important requisite for the accurate determination of aroma compounds is their careful isolation prior to gas chromatography (GC). For this purpose, solvent-assisted flavor evaporation (SAFE) is considered by many to be the best overall method to produce a “clean” aroma extract”, which is suitable for cool on-column injection GC analysis. This approach avoids the formation of thermally generated volatile artifacts and thus provides a more accurate determination of the actual aroma components of the product. However, SAFE is time consuming and labor intensive, especially when applied repeatedly for quantitation by stable isotope dilution analysis (SIDA). In this paper, a streamlined approach will be presented for the analysis of aged liquors or spirits. SAFE was performed directly on the product prior to the analysis by GC-olfactometry, GC-MS and quantitative analysis by stable isotope dilution analysis (SIDA). To verify the proposed approach, sensory difference testing was conducted to compare original liquor products versus their “SAFE isolate” counterparts for 3 clear (porcelain-aged) and 3 brown (oak-aged) liquors. Results showed that the aroma of the SAFE isolates could not be differentiated from that of the original liquor products. Further comparisons between neat and SAFE isolates of one clear (porcelain-aged) and one brown (oak-aged) liquor were done using GC-FID profiles, GC-MS-olfactometry [combined with aroma extract dilution analysis (AEDA)], quantitative analysis by SIDA of several selected odorants. Results showed that the aroma (AEDA) and volatile profiles of the SAFE isolates did not significantly differ from those of the original liquors. The quantitative results were nearly identical between neat and SAFE isolates for each liquor, except for certain semi-volatile constituents which were not recovered well by SAFE in the brown liquor (e.g. vanillin and syringaldehyde). Based on these results, the use of a SAFE procedure prior to detailed aroma analysis of aged liquors provides a simple and convenient way to expedite and streamline the determination of the key odorants. AGFD 174 Determination of chlorophenols in starch and starch based snacks by solid phase microextraction with in situ derivatization and gas chromatography coupled to tandem mass spectrometry C T. Shao, tony.shao@pepsico.com, Vincent A. Elder. PepsiCo Inc., Plano, Texas Chlorophenols are found in drinking water and many other food and ingredients. Due to their low threshold, chlorophenols could easily cause medicinal off-flavor in food. Therefore, it is critical to be able to detect trace level of chlorophenols in tainted product/ingredients in order to identify the sources and better control product quality. Many methods have been developed to determine chlorophenols in different matrices. This study was to develop a sensitive and automatic SPME method using in situ derivatization by acetylation and tandem mass spectrometry for both starch ingredient and starch based snacks containing oil. The 2-Chlorophenol, 2,4-Dichlorophenol, 2,4,6-Trichlorophenol, 2,3,4,5-Tetrachlorophenol and Pentachlorophenol were evaluated. The linearity in the range of 0 to 500 ng×L-1 had r2 from 0.9891 to 0.9952 and from 0.9230 to 0.9842 for starch and oil, respectively. Limits of detection (LODs) of selected chlorophenols were from 0.0030 to 3.8281 ng×L-1 for starch and 0.3978 to 13.7246 ng×L-1 for oil. Limits of quantification (LOQs) were from 0.0101 to 12.7603 ng×L-1 for starch and from 1.3261 to 45.7486 ng×L-1 for oil. The

recoveries ranged from 104.2 to 131.0% with relative standard deviation (RSD) from 0.1 to 7.2% for starch. The recoveries were from 70.4 to 163.1% with RSD from 2.7 to 23.9% for oil. The results showed this method was capable for determining chlorophenols in starch and starch based snacks containing oil with rapid, simple sample preparation and high sensitivity. AGFD 175 Sensomics approach applied to flavor and taste studies in yellow tamarillo (Solanum betaceum) fruit Juliana María García-Chacón, Laura Juliana Prieto, Coralia Osorio Roa, cosorior@unal.edu.co. Departamento de Química, Universidad Nacional de Colombia, Bogota Yellow tamarillo is a shrub native to the Andes that belongs to the Solanaceae family. This fruit is source of vitamins A, B6, C, and E, calcium, iron, and phosphorus. Its flavor is intense, but some characteristic residual bitter taste makes it rejected for some consumers. Sensomics approach was used to identify the odor-active volatiles and the non-volatile compounds responsible for bitter taste. The GC-O, GC-MS and AEDA analysis of SAFE (Solvent Assisted Flavor Evaporation) extract allow to identify (Z)-3-hexenal, hexanal, and ethyl butanoate as key aroma compounds of yellow tamarillo. Additionally, the bioguided (taste sensory analyses) fractionation of freeze-dried fruit with different polarity solvents showed the presence of a bitter compound, that was further isolated an identified as rosmarinic acid by MS and NMR. Its bitter taste threshold value was determined by using the 3AFC (alternative forced choice) method to be 37.00 ± 1.25 mg/L AGFD 176 Analysis of organic volatile aroma compounds in douzhi and tentative characterization of the key odorants by odor activity value Yuping Liu2, liuyp@th.btbu.edu.cn, Jia Huang1, Yu Zhang1, Zhiwei Miao3. (1) School of Food and Chem. Eng., Beijing Tech. and Business Univ., China (2) Beijing Advanced Innovation Center for Food Nutrition and Human Health, Beijing Tech. & Business Univ., China (3) Beijing Key Laboratory of Flavor Chemistry, Beijing Tech. and Business Univ., China The organic volatile aroma compounds in douzhi were studied using SDE-GC/MS. A total of forty-five volatile compounds were identified, including sixteen alcohols, two phenols, eleven carboxylic acids, four esters, five aldehydes, two ketones, two sulfides, two furans and one pyridine. These compounds were determined by MS, and conformed by comparison of the retention times of the separated constituents with those of authentic samples and by comparison of retention indexes (RIs) of separated constituents with the RIs reported in the literature. In order to tentatively determine the key odorants, these compounds were quantized by using 1,2-dichlorobenzene as internal standard, and their odor activity values (OAVs) were calculated. Among forty-five volatile compounds, nineteen compounds whose OAVs were more than one were considered as the key odorants. In nineteen compounds, five compounds including 3-methyl-1-butanol, 1-hexanol, (Z)-3-hexen-1-ol, gamma-nonalactone and dimethyl disulfide were common in the three douzhi samples. These compounds might make douzhi from different manufacturers have some common odor characteristics. AGFD 177 Colorful world of anthocyanins: Learning from nature Monica Giusti, giusti.6@osu.edu. Food Sci. and Tech., The Ohio State Univ., Columbus Anthocyanins are wonderful plant pigments widely distributed in nature and responsible for most of the orange, red, purple, violet, blue and even some black colors of plants. My work with anthocyanins as natural alternatives to synthetic dyes started over two decades ago at Oregon State Univ., under the guidance of Dr. Wrolstad. Through these years I have continued investigating this class of compounds and witnessed interest on anthocyanins increase around the world. Anthocyanins are becoming more relevant to the food industry as the demand for natural alternatives to synthetic dyes is increasing. In addition, research has

shown that anthocyanins are potent antioxidants and anti-inflammatory agents, and anthocyanins consumption has been associated with lower incidence of chronic diseases. However, replacing synthetic colors with natural alternatives can be rather challenging. Anthocyanins change color with pH, and are susceptible to degradation during processing and storage. Even more, despite the variety of anthocyanin-based colors encountered in nature, most anthocyanins applications have been limited to produce different shades of red and purple in foods. In this talk we will review many lessons learned from nature and from Wrolstad about the world of anthocyanins: the role of the anthocyanin chemical structure, copigmentation, and other mechanisms used by plants to stabilize the anthocyanin chemical structure and how we can imitate nature to produce a wide variety of anthocyanin-based colors. AGFD 178 pH-Differential method applied to the color assessment of anthocyanin-rich extracts and microencapsulates from Pouroma cecropiifolia Mart. fruit Juliana Barrios, Alicia Lucía Morales, Coralia Osorio Roa, cosorior@unal.edu.co. Departamento de Química, Universidad Nacional de Colombia, Bogota The pH-differential method for the anthocyanin content measurement has been highly recognized to be simple, rapid and cheap in comparison with the others, showing good reproducibility. This spectrophotometric method is based on the reversible structural transformations that anthocyanin compound exhibit by pH effect. With the purpose to develop value-added products from the so-called uva caimarona Amazonian fruit (Pourouma cecropiifolia Mart.), the anthocyanin-content of four fruit extracts (soxhlet, liquid-liquid and supercritical fluid extracts) was evaluated by the pH-differential method. After that, the soxhlet extract was selected to develop anthocyanin-rich microencapsulates by spray-drying. The thermal and pH anthocyanin stability of original extracts and microencapsulates was also evaluated. It was found that the increase of temperature, reduced the anthocyanin content in the P. cecropiifolia anthocyanin solutions, and also that pH values lower than 3.5, allow to keep the color tone of solutions until ca. two months. AGFD 179 Authentication of food ingredients by vibrational spectroscopy: Moving out of the lab Luis Rodriguez-Saona, rodriguez-saona.1@osu.edu. Food Sci. and Tech., The Ohio State Univ., Columbus Despite the high economic and safety impact of food adulteration, food surveillance is limited by high costs and limited resources available to regulatory agencies. Vibrational spectroscopy (NIR, IR and Raman) can provide rapid and cost-effective tools for effective food surveillance, and deter acts of fraud conducted for economic gain by food producers, manufacturers, processors, distributors, or retailers. This presentation covers the current state of research on applications of vibrational spectroscopy for authentication of high-value raw materials susceptible to economically-motivated tampering. Optical technology is rapidly developing and instruments are available commercially as portable, hand-held, and micro-devices that can be used when it is not practical or economical to use the more costly and sophisticated instruments used in research laboratories. Powerful pattern recognition techniques can be used to screen materials and enable real-time and field-based measurements for controlling the raw material stream. Advantages of these approaches include low cost, small size, compactness, robustness, high-throughput and ease of operation for in-field routine analysis. AGFD 180 Understanding anthocyanin: Researcher and educator Dr. Ron Wrolstad Jungmin Lee, jungmin.lee@ars.usda.gov. USDA-ARS-HCRU worksite, Parma, Idaho This invited presentation is in honor of Dr. Ronald E. Wrolstad (Distinguished Professor Emeritus), recipient of the 2017

ACS AGFD Advancement of the Application of Agricultural and Food Chemistry Award. The talk will be a brief overview of Dr. Ronald E. Wrolstad’s research program and career; Dr. Wrolstad’s discoveries, and what my research program has done to expand those findings will also be summarized. Fruit secondary metabolites, such as anthocyanins, have long been valued for the organoleptic properties they impart to fruit as well as the products derived from fruit. More recent interest has focused on the possible health benefits these compounds might possess. Secondary metabolites develop the appearances, flavors, and textures that directly effect fruit quality. Selections from Dr. Wrolstad’s most cited work on (1) small fruit phenolics, (2) anthocyanin methods, and (3) fruit product adulteration and authenticity will be discussed. AGFD 181 Rewards of anthocyanin research Ronald Wrolstad, ron.wrolstad@oregonstate.edu. Food Sci., Oregon State Univ., Corvallis My first assignment as a tenure-track Assistant Professor was a collaborative investigation with the objective of finding chemical indices that could predict whether or not new strawberry genotypes would have acceptable color when processed as frozen berries. Strawberries are problematic, as subsequent projects concerned the color quality of strawberry preserves, strawberry wine, and strawberry juice and concentrate. Fruit juice adulteration became a major international issue in the 1980’s, and we applied indices derived from a compositional data-base that we generated to determine the authenticity of several different juice commodities. Our curiosity of anthocyanin instability lead to research grants on anthocyanin-derived natural colorants. Research on anthocyanins became respectable in the late 90’s when the antioxidant properties and possible health benefits of fruits and vegetables became a hot item. Improvement of anthocyanin analytical methods was a constant thread through all of these studies. Anthocyanins are good for you, and they have been particularly good for me. AGFD 182 Manuka honey authentication via fingerprinting and statistics Nicole Beitlich, nicole.beitlich@yahoo.de, Karl Speer. Food Chemistry, Technische Universität Dresden, Germany Manuka honey is one of the most adulterated monofloral honeys in the world since it is the major medical grade honey currently approved for clinical application, especially for wound healing. The antibacterial activity of manuka honey is mainly caused by methylglyoxal (MGO), aside of other as yet unknown compounds. This has led to more so called manuka honey being sold on the market than actually produced. For this reason the blending and adulteration of manuka honey has come into focus everywhere. Therefore, the New Zealand Government and the UMFHA have requested robust and clear parameters for the identification of genuine manuka honey. In our study, more than 150 authentic honey samples from monofloral manuka, kanuka, and other New Zealand honeys supplied by the UMFHA were characterized by SPE-UHPLC-PDA-MS/MS and HS-SPME-GC/MS. A classification system named HAHSUS (Honey Authentication by HS-SPME-GC/MS and UHPLC-PDA-MS/MS combined with Statistics) was developed which is capable of differentiating and classifying manuka honey from New Zealand other honeys, especially from the pollen-identical kanuka honey. It is also possible to estimate the percentage of manuka honey in manuka-kanuka honey mixtures. The HAHSUS method will be presented. AGFD 183 Novel approaches in high-resolution UHPLC-MS based metabolomics for analysis of food authenticity Andreas Dunkel, andreas.dunkel@tum.de, Thomas Hofmann, Technical Univ. of Munich, Freising, Germany Consumers demand besides high quality and safe foods a complete traceability to interrelate identifiable entities chronologically throughout the food chain. The availability of fast and reliable authentication methodologies is

therefore urgently required and has driven forward the progress in analytical instrument technology as well as statistical data analysis. Technological improvements leading to high-resolution mass spectrometers with faster scanning capabilities at high resolving power have expanded the functionality beyond traditional data-dependent acquisition (DDA) approaches to targeted metabolomics with improved precision and sensitivity challenging the coefficients of variation typically observed in triple-quadrupole based mass spectrometers. The recent generation of tandem quadrupole time-of-flight (QqTOF) mass spectrometers led to the development and advancement of acquisition methods like high resolution multiple reaction monitoring (MRM-HR), information-dependent acquisition (IDA), sequential window acquisition of all theoretical fragment-ion spectra (SWATH), and MSAll. The presentation will demonstrate and compare the application of the aforementioned data acquisition strategies for application in food authenticity studies and outline current limitations and possibilities. AGFD 184 Non-targeted fingerprints for detecting milk quality and safety Weiying Lu1, 30864429@acs.org, Boyan Gao2, Lijuan Du1, Liangli L. Yu2. (1) Inst. of Food and Nutraceutical Science, School of Agriculture and Biology, Shanghai Jiao Tong Univ., Shanghai, China (2) Univ of Maryland, College Park The non-targeted detection combines fingerprinting techniques and chemometrics to detect toxicants or foreign components in foods, without prior knowledge of their chemical compositions or specific structures of marker compounds. A series of non-targeted mass spectrometric, infrared and Raman spectroscopic fingerprints were introduced in the detection of milk quality and safety. Using the state-of-art fingerprinting methods such as ultraperformance liquid chromatography-mass spectrometry, flow injection mass spectrometry or Fourier transform infrared spectroscopy fingerprints combined with non-targeted principal component analysis and partial least squares modelling, differentiation of pure milk from their counterparts adulterated with non-milk proteins such as soybean or pea proteins has been achieved. Through these successful applications, the non-targeted detection technology may be a reliable and versatile approach in preventing food-related fraud in the future. AGFD 185 Application of a novel FT-NIR and PLS1 methodology to the rapid prediction of authenticity of extra virgin olive oil products Magdi M. Mossoba, magdi.mossoba@fda.hhs.gov. CFSAN, FDA, College Park, Maryland Economically motivated adulteration (EMA) of extra virgin olive oils (EVOO) has been a worldwide problem and a concern for government regulators for a long time. To detect EMA of olive oil and address food safety vulnerabilities, we used our previously developed rapid screening methodology (Lipids 50:705-718 (2015); Lipids 51:1300-1321 (2016)) to authenticate EVOO. For the first time, FT-NIR spectroscopy in conjunction with partial least squares (PLS1) analysis was applied to commercial products labeled EVOO to rapidly predict whether they are authentic, potentially mixed with refined olive oil (RO) or other vegetable oil(s), or are of lower quality. Of the 88 commercial products labeled EVOO that were assessed according to published specified ranges, 33 (37.5%) satisfied the three published FT-NIR requirements identified for authentic EVOO products which included the purity test. This test was based on limits established for the contents of three potential adulterants, oils high in linoleic acid (OH-LNA), oils high in oleic acid (OH-OLA), palm olein (PO), and/or refined olive oil (RO). The remaining 55 samples (62.5%) did not meet one or more of the criteria established for authentic EVOO. The breakdown of the 55 products was EVOO potentially mixed with OH-LNA (25.5%), OH-OLA (10.9%), PO (5.4%), RO (25.5%), or a combination of any of these four (32.7%). These findings are significant not only because they were consistent with previously published data based on the

results of two sensory panels that were accredited by IOC, but more importantly, because each measurement/analysis was accomplished in less than 5 minutes. AGFD 186 SPME-GC-ToF-MS techniques applied to identifying potential product taints Michael J. Morello, mjmorello226@gmail.com. PepsiCo Global RD, Barrington, Illinois Two examples will be provided to illustrate the use of SPME-GC-ToF-MS for detecting potential product taints. A key benefit of Time of Flight (ToF) MS in detecting trace differences is the fast sampling rate, which enables automated spectral deconvolution. However, it is critical to ensure automated deconvolution does not inadvertently confound comparative results. In the first example, a hydrocarbon taint in grain in grain samples was traced to the printed portion of the sample bags. These results demonstrated that the grain was not tainted. In the second example, multiple samples of post recycled PET were evaluated. Results clearly indicated the samples had varying levels of residual volatile substances. Data illustrating residuals in the PET, helps prevent use of those recycled streams and thereby mitigate risk of tainted product. AGFD 187 Food forensics investigation combining microscopy and spectroscopy Jinping Dong, jinping_dong@cargill.com, Var St.Jeor, Abigail Lape, Tim Lindgren. Cargill, Shoreview, Minnesota In food manufacturing, foreign material (including foreign chemicals/microorganisms and foreign objects) is a common safety issue. Other processing or quality related problems (i.e. off color, off flavor, off odor, change of physical properties, sedimentation, filter plugging, loss of ingredient functionality, adulteration, etc.) are also frequent challenges in the food industry. All of these problems are often unexpected and require fast response to find the cause and solution. The goal is to provide safe, high quality food with desired sensory to the consumer. The investigation process, which often involves exhaustive scientific procedures, to address these urgent safety and quality issues is defined as food forensics.Over the last two decades, Cargill has developed its Food Forensics program, to ensure safe and high quality product to its customers. Owing to its broad business spectrum, the forensics team in Cargill has built experience and expertise that makes it one of the kind in the field. Microscopy (including regular light microscopy, confocal laser scanning microscopy, electron microscopy, and micro-CT (x-ray computed tomography)) and spectroscopy (including FTIR, Raman, fluorescence, and energy dispersive spectroscopy or EDS) are two important frequently used techniques in forensics investigation. In this presentation, we will briefly introduce how Cargill's global initiative on Food and Material Forensics has been successful in helping customers. Two examples employing SEM, CT and FTIR to address 1) the black spots on baked bread and, 2) coating issues of fried chicken nuggets, will be discussed. AGFD 188 Selected food forensic techniques to evaluate food authenticity and adulteration Sneh D. Bhandari1, sneh.bhandari@mxns.com, Mark Germani2, Zhuohong Xie3. (1) Chemistry R&D, Merieux NutriSciences, Crete, Illinois (2) Micro Material Research, Burr Ridge, Illinois (3) Food, US Pharmacopeia, Rockville, Maryland There is a keen interest in methods that can be used to verify authenticity and adulteration of beverages, foods and ingredients. We evaluated different techniques for targeted analysis in selected matrices to establish food authenticity and confirm adulteration. Case studies of analysis of the authentic and spiked samples are used to investigate application of different techniques to assess authenticity and adulteration. Some examples of use of amino acid fingerprint in a variety of skim milk powder samples with and without spiking with specific adulterants will demonstrate use of this technique for monitoring adulteration of this matrix. Examples of use of infrared micro analysis, electron microscopy and x-ray

microanalysis and other methods as forensic techniques for food safety/quality issues will be presented. AGFD 189 Food safety interventions research at the eastern regional research center: Innovative sanitizers, natural antimicrobials and nonthermal processing technologies Joshua B. Gurtler, joshua.gurtler@ars.usda.gov, Brendan A. Niemira. ERRC, USDA-ARS, Wyndmoor, Pennsylvania Foodborne pathogens such as Salmonella, Listeria monocytogenes and Escherichia coli O157:H7cause millions of illnesses every year. A variety of technologies have been advanced in recent years to expand on the suite of tools available to food processors. At the US Dept. of Agriculture’s Eastern Regional Research Center, scientists and engineers have focused on developing new ways to improve food safety and shelf life while retaining quality and nutritional value. From long standing research projects on nonthermal processing technologies such as irradiation and high pressure to newer approaches such as advanced antimicrobial sanitizers, cold plasma, high intensity light treatments and active packaging, the food safety research at ERRC has addressed key aspects of efficacy, scalability and practicality. Among the innovative technologies being developed is First Step+ 10, a newly developed mixed peroxyacid antimicrobial produce wash. Under CLEAN conditions, 0.5 percent to 1.0 percent produce wash achieved >6 log reduction of L. monocytogenes in 5 minutes. Under DIRTY conditions 0.5 percent inactivated >4.0 log CFU/ml. Wash waters inactivated up to 3.59 log of pathogens on fresh cut produce. In another field of research at ERRC, application of biochar to soil inactivated E. coli O157:H7 (EHEC), to undetectable levels by week 4. In positive-control soils, E. coli O157:H7 populations remained as high as 5.8 and 4.0 log CFU/g at weeks 4 and 5. These results are the first to suggest that biochar enhances the inactivation of EHEC in cultivable soil. This presentation will give an overview of these research efforts, and the validation steps that are required for scaling up to commercialization. AGFD 190 Pesticide detection in organic and non-organic foods and flavors Ivica Labuda1, ivical@hotmail.com, Xinchun Zhang2, Laura Heller3. (1) Biochem.Cell&Mol.Biochemistry, Georgetown Univ., Norwood, New Jersey, US (2) Biochem.Cell&Mol.Biochemistry, Georgetown Univ., Washington, DC, DC (3) Organic Chemistry, Georgetown Univ., Washington, DC, DC To suppress the growth of molds and other pests on plants and fruits, they are treated with fungicides that are allowed by FDA. The level of fungicides/pesticides are determined by FDA and monitored so that they do not exceed limits. On the other hand, organically grown crops are to be treated with only fungicides labeled as natural, e.g. copper sulfate. Additionally, market and consumers demand fruits and vegetables all year round and in many instances, it means to import fruits, vegetables and their extracts from other geographic locations. Those countries may have different regulatory rules towards fungicides. Our goal was to determine the amount and type of fungicides/pesticides used in the organic and regular foods both grown domestically and abroad. In this first study, we focused on oranges, orange juice and orange oil as well as on tea and vanilla extracts. Pesticides were measured either by a biochemical method or by LC/MS. AGFD 191 Mitigation of food fraud using the USP Food Fraud Mitigation Guidance and Food Fraud Database 2.0 Janet Balson, jtb@usp.org. Science - Foods, US Pharmacopeia, Rockville, Maryland Food Fraud, also known as Economically Motivated Adulteration (EMA), threatens the integrity of the food supply and can introduce significant public health risks. USP will offer perspectives and tools that can be used to mitigate the risk of food fraud. The Food Fraud Mitigation Guidance is an appendix to the Food Chemicals Codex. The guidance was developed by panel of

experts and is intended to be used as an information tool and resource only. It is intended to elaborate guidance frameworks and tools to assist users in the development of their own personal management system to counter food fraud. This presentation will summarize the principles of the Food Fraud Mitigation Guidance. Descriptions of the use of the Food Fraud Database 2.0 in performing the four step process for Food Fraud Mitigation Guidance will be included. Food Fraud Vulnerability assessment of a food product (salsa) will be used as an example to illustrate the guidance. AGFD 192 Reasons for proper labelling to promote the safety of thermally processed fluid products John Miles, jmiles@microthermics.com. MicroThermics, Inc., Raleigh, North Carolina Food safety is central to the development and manufacture of pasteurized, ultra-pasteurized, UHT, sterilized and aseptic fluid foods. Untreated fluid products like juices, milk, milk replacements and formulated products like nutritional supplements, milk alternatives and many more, are both sources of microbial contamination and excellent environments supporting microbial growth. Measures to assess, control and ensure their safety are required by law and begin with the raw materials and continue through manufacturing and their distribution network. These involve well established practices to monitor, assess and minimize these risks. Processes like pasteurization, Ultra High Temperature (UHT) processing and sterilization eliminate risks to the consumer while providing high quality products. When coupled with proper processing, packaging methods like conventional packaging for refrigerated products and Extended Shelf Life (ESL), aseptic packaging and canning each provides specific protection against contamination and help to determine the product’s shelf-life and safety, assuming proper handling. Once the product is purchased, it has exited this network and the control of its treatment belongs solely to the consumer. Improper labelling fails to enable the consumer to handle the product correctly, and can lead to compromise of the food’s safety and illness. Proper labelling is the first point of contact to convey important safety information. It informs the consumer of proper product handling and helps extend the producer’s influence over the product’s safe handling and protect consumers. To accomplish this, it is critical to clearly convey to the consumer the nature of the product and how it is to be handled after purchase. This presentation will broadly discuss the most common microbial hazards of these products and how they are addressed by thermal processes like pasteurization, ultra-pasteurization, UHT, aseptic processing and canning. It will also outline packaging methods including conventional refrigerated packaging, ESL, canning and aseptic packaging and the risks created when these products are mishandled. AGFD 193 Traceability and authenticity in food products: Contribution of NMR for intramolecular isotope measurements Gerald REMAUD, gerald.remaud@univ-nantes.fr, Virginie Silvestre, Richard J. Robins, Serge Akoka. Univ. of Nantes, France The traceability of a given product may be defined as the “ability to trace the history, application or location of manufactured or distributed products”. “An object is what it is claimed to be” corresponds to authenticity. The Natural integrity is usually tackled by analytical methodologies that are based on different properties between the natural and the synthetic product. Enantiomeric excess is often met in natural chiral molecules. But the preferred configuration is not always the same according the species and/or the genera. Moreover the final enantiomeric excess is not always predictable when using biosynthesis catalyzed by modified enzymes. The 14C content may be considered as a tracer of products recently synthesized from atmospheric CO2 and particularly of recently produced bio-products. These two approaches may fail for the detection of semi-synthetic or subtle mixtures of natural and synthetic compounds. Interestingly stable isotope profiles deal with the molecule of interest itself, and

are able to strip down its atomic composition. Such an intimate constitution is unique and characteristic of the different stages of the history of any molecule. Historically, the measurement of position-specific 2H/1H ratios (quantification of each 2H at different positions) had been exploited for the detection of forbidden chaptalization of wine and to authenticate natural aromas (SNIF-NMR). The 13C equivalent methodology (13C NMR) has been established only recently. The main difficulty of isotope 13C NMR is meeting the requirement for a high level of precision: better than 1‰! Examples (ethanol, vanillin, caffeine, olive oil) will be used to demonstrate that 13C isotopic profiles, by giving access to a larger number of parameters, offer a new tool for authenticity. Furthermore, by taking advantage of recent developments in NMR, sensitivity and resolution are improved allowing the study of smaller amounts of product. The new concept of ‘isotopomic’ can be then introduced. AGFD 194 Application of gas chromatography: Vacuum ultraviolet spectroscopy to flavor and fragrance analysis Kevin Schug1, kschug@uta.edu, Ines C. Santos1, Changling Qiu1, Jamie Schenk1, Matthew Bernart2, Jonathan Smuts3. (1) U of Texas at Arlington (2) Pharmatech Labs, Lindon, Utah (3) VUV Analytics, Inc., Cedar Park, Texas Gas chromatography equipped with vacuum ultraviolet spectroscopic detection (GC-VUV) is the newest in the pantheon of gas chromatography detectors. Full range gas phase absorption in the 120 – 240 nm range is collected for analytes eluting from the gas chromatograph. Based on its rapid acquisition of both qualitative and quantitative information, along with facile spectral deconvolution capabilities, GC-VUV is a highly complementary alternative to gas chromatography – mass spectrometry. GC-VUV has been applied in wide ranging fields, including environmental, petrochemical, and food analysis. Here, we present the application of GC-VUV for the speciation of terpene mixtures, essential oils, and vanilla extracts. Featured is the potential to sacrifice chromatographic resolution, but still maintain excellent coverage for complex mixtures analysis, due to the ability to rapidly deconvolute coeluting signals. AGFD 195 Two-dimensional GC-MS/olfactometry to study chiral terpene alcohol aroma contribution and stability Michael C. Qian1, michael.qian@oregonstate.edu, Fei He3, YanPing L. Qian2. (1) Oregon State Univ, Corvallis (2) Crop and Soil, Oregon State Univ., Corvallis (3) Food Sci. and Tech., Oregon State Univ., Corvallis There has been growing interest in enantiomeric compositions of flavor compounds in foods. Enantiomer purity has been used to evaluate adulteration of food products or to differentiate natural compounds from synthetic origin. Individual enantiomer of chiral compound usually has different flavor characteristics and odor threshold. 2D GC-MS is a very useful technique to investigate chiral aroma compounds and their aroma contribution. The volatile compounds can be separated in the first dimensional GC, and the chiral compounds can be “heart-cut” and directed to a secondary chiral column for isomer separation. The “heart-cut” transfer can be achieved via a “Dean” switch to minimize dead volume and improve chromatography. Two dimensional GC-MS technique was used to study chiral stability of terpene alcohols in food and beverages. It was found that some terpene alcohols isomerize quickly during storage, affecting flavor quality of the products. AGFD 196 Quantitation of potent polyfunctional thiols and their enantiomers in wine using HPLC-MS/MS after derivatization Dimitra L. Capone1, dimitra.capone@awri.com.au, Liang Chen2, Leigh Francis1, David W. Jeffery2. (1) Research, The Australian Wine Research Inst., Adelaide, South Australia (2) Dept of Wine and Food Sci., The Univ. of Adelaide, Urrbrae, South Australia Polyfunctional thiols are some of the most potent aroma compounds found in nature and have been identified in a wide array of fruits and vegetables, and products such as wine. These thiols, several of which

are present in enantiomeric forms, have some of the lowest aroma detection thresholds of any food odorant, and are important varietal impact compounds in Sauvignon blanc wine. Three of the most ubiquitous of these thiols, 3-sulfanylhexan-1-ol, 3-sulfanylhexyl acetate and 4-methyl-4-sulfanylpentan-2-one, are present in a range of varietal wines other than Sauvignon blanc but their broader relevance to wine aroma profiles is relatively unknown. Quantification of these compounds in wine has been challenging due to their reactivity and the sensitivity required for their accurate measurement, i.e. at low nanogram-per-liter concentrations. To achieve this, a specialized method was developed for their determination using in situ derivatization of thiols in wine with 4,4’-dithiodipyridine, a simple concentration and cleanup of the sample through solid phase extraction, followed by HPLC-MS/MS analysis of extracts. This robust analytical method, which employs stable isotope dilution analysis, was further extended to quantify the enantiomers of two of the thiols and was applied to a survey of various wines to characterize their enantiomeric distribution. Additionally, a study of Chardonnay wines to investigate the importance of thiols to the ‘tropical fruit’-related characters in this grape variety will also be discussed. AGFD 197 Characterization of volatile sulfur compounds in different flavor types of Chinese liquor by gas chromatography-pulsed flame photometric detection Shuang Chen, chengshuang.hust@gmail.com, Sha Sha, Yan Xu. School of Biotechnology, Jiangnan Univ., Wuxi, Jiangsu, China Volatile sulfur compounds are an important class of aroma compounds in foods because of their low odor thresholds and strong odor impact. Chinese liquor (baijiu) is a traditional indigenous distilled spirit in China with annual sales more than 83 billion U.S. dollar. Although more than 1000 volatile compounds have been identified in Chinese liquor, the information on Chinese liquor volatile sulfur compounds is still quite limited. In present study, a method for identifying and quantifying volatile sulfur compounds in Chinese liquor by head space-solid phase microextraction followed by gas chromatography-pulsed flame photometric detection has been developed. The procedures were optimized for solid phase microextraction fiber selection, sample ethanol content, pre-incubation time, extraction temperature and time. A central composite design and response surface methodology was used to determine the best extraction conditions. Fifteen sulfur peaks were identified in Chinese liquors using retention values from authentic sulfur standards and GC-MS characteristic masses. The optimized method was further validated, obtaining good linearity, repeatability, reproducibility, and accuracy with detection and quantification limits low enough to correctly determine the volatile sulfur compounds studied. The optimized method was applied to three main flavor types of Chinese liquors (strong flavor, light flavor, and Maotai flavor). Odor thresholds of these fifteen volatile sulfur compounds were determined in 46% (vol.) ethanol aqueous solution. 2-Furfurylthiol, dimethyl trisulfide, methional, S-methyl thioacetate, methanethiol were identified as key aroma compound for Chinese liquors because their concentrations higher than their odor thresholds. AGFD 198 Applying fuzzy-set logic analysis to relationships between flavor chemistry and sensory perception: A case of red fruit aromas in wine Elizabeth Tomasino1, elizabeth.tomasino@oregonstate.edu, Arthur Tomasino2. (1) Oregon State Univ., Corvallis (2) Independent Consultant, Charlotte, North Carolina Determining relationships between flavor chemistry and sensory perception in complex mixtures, such as wine, is very difficult. There are hundreds of flavor compounds in wine contributing to sensory perception of aroma. Some compounds act as direct impact compounds, while others may have indirect effects or impact sensory perception through a range of interactions. Methods

used to relate chemical composition to sensory perception do not take into account the many possible ways in which flavor compounds may contribute to aroma. The majority of methods correlate flavor chemicals with sensory perception. Additionally, many methods assume that large chemical differences equate to large sensory differences. It is becoming apparent that this is not always the case. We have applied fuzzy-set qualitative comparative analysis (fsQCA) to flavor chemistry and sensory data to overcome these methodological challenges. Using fsQCA it is possible to assess very complex causation involving different combinations of causal conditions capable of generating the same outcome. The focus of fsQCA is on determining the necessary and sufficient factors required for the chosen output, removing unnecessary factors and creating minimal sets of interacting factors. The resulting sets can then be used to build equations that more successfully model complex causality. FsQCA can identify the causal patterns differing across sub-sets of factors allowing for a more complex causal sensory analysis. To elucidate the cause of red fruit aroma in Pinot noir wine, fsQCA was applied. Sensory data was collected from a panel of Pinot noir wine makers using descriptive analysis. Chemical data was collected using HS-SPME-GCMS. Results show several different, highly consistent, combinations of compounds that cause red fruit aroma in Pinot noir. Results agree with previous regression-based research, validating the use of fsQCA as a robust method to deal with the intricacies in determining the causes of aroma and flavor in complex products. AGFD 199 Elucidation of off-flavors in canola and olive oils Michael Granvogl1, michael.granvogl@ch.tum.de, Katrin Matheis1, Peter H. Schieberle1, Anja Neugebauer1. (1) Technical Univ. of Munich, Garching, Germany (1) Technical Univ of Munich, Freising, Germany The sensomics approach was used to clarify the formation of the fusty/musty off-flavor of native cold-pressed canola oil and of the fusty, muddy sediment, the musty, and the rancid off-flavors of extra virgin olive oils using for each oil a positive control (PC) showing the desired sensory attributes and an oil eliciting the respective off-flavor (OF). For the canola oil, 16 compounds increased significantly in OF. Investigation of the corresponding rapeseeds (OFS), from which OF was pressed, showed the same compounds above their respective odor thresholds in oil as found in OF, only differing in their respective concentrations. Thus, not the pressing process but the quality of the seeds determines the off-flavor formation. Most compounds responsible for the off-flavor are caused my microorganisms, such as the Ehrlich degradation products 2- and 3-methylbutanoic acid and 2-phenylethanol, 2-methoxyphenol, or 4-methylphenol. Their formation is favored by inappropriate storage conditions including elevated temperatures and/or moisture. Analysis of 7 further oils with the identical sensory defect (OF1-7) and 5 further oils eliciting the desired sensory attributes confirmed these odorants as general marker compounds for the fusty/musty off-flavor of canola oils. The analytical data were statistically evaluated via principal component analysis (PCA) showing a clear separation of both oil groups. The same approach was used to characterize the compounds responsible for the different off-flavors in extra virgin olive oils and will also be discussed in the lecture. AGFD 200 Novel flavor ingredient discovery by cutting edge instrumental analysis and sensory evaluation Xiaofen Du, xdu@twu.edu. Nutrition and Food Sci., Texas Woman's Univ., Denton Understanding and creating the naturalness of a flavor is a key criteria for successful flavor creation, while natural is an undoubtable starting point. During the past decades, the development of instrumental analysis of flavor has more than sufficiently filled the gap between the natural flavor of a food and the corresponding creation of a flavor. The hurdle of new ingredient discovery was a primary innovative breakthrough in the flavor industry. Truly novel

ingredient discovery will become more difficult. For aroma components, some lowly or incorrectly estimated known semi-volatiles that play an important role in the flavor of a food are neglected. A search of current publications found that semi-volatiles with high molecular weight or with carbon chains >12, aldehydes, alcohols, esters, acids, ketones, and lactones are scarcely reported in the literature while these are considered key or impact aroma contributors in certain food. Conventional aroma analytical method such as GCO analysis generally excludes these “heavy” compounds since these volatiles generally have low olfactory impact. However, many of these semi-volatiles impart mouth sensation, fullness, bodiness, and boosting flavor, especially in dairy and plant protein products. Currently, the research in novel ingredient discovery is shifting from aroma to taste or taste modulators. Research on natural intensity sweeteners, sweet enhancers, salty and umami enhancers, fattiness enhancers, and mouthfeel enhancers are all accelerated by cutting edge flavor analysis using techniques such as LC/MS, NMR, and tribology. For instance, combing methods allow for unique discoveries such as the flavor components associated with sweet after-taste in tea. In conclusion, with the advanced techniques in flavor analysis, research on the aroma impact of “heavy” volatiles and taste enhancers expand the flavor industry. AGFD 201 Characterization of the key aroma compounds in Chinese high-grade green tea beverage (Camellia Sinensis) and studies on changes in tea leaves induced by the traditional manufacturing Mario Flaig1, mario.flaig@gmx.de, Peter H. Schieberle2. (1) German Research Centre for Food Chemistry, Freising, Germany (2) Technical Univ of Munich, Freising, Germany Tea is the most widely consumed beverage in the world, after water. Although representing an important domestic commodity, due to its unique aroma and taste, and its comprehensive health benefits, world tea production is continuously increasing. Although the identification of tea volatiles has been subject of research for almost two centuries, sensory guided studies, aimed at characterizing the key aroma compounds among the bunch of odorless volatiles by means of the Sensomics approach, are scarcely available. Hence, this approach has been applied to a freshly infused Chinese high-grade green tea beverage manufactured in a traditional, artisanal manner. On the basis of the application of an aroma extract dilution analysis (AEDA), quantitations by means of stable isotope dilution assays (SIDAs), and calculation of the odor activity values (OAV; ratio of concentration to odor threshold), the key aroma compounds of the tea beverage could be unraveled. An aqueous recombinate, consisting of all key aroma compounds in the natural concentrations in the tea beverage, successfully mimicked the overall odor of the tea brew. In further experiments, quantitative measurements on the presence of the aroma compounds in tea leaves treated by the traditional handcrafted process clearly elucidated the influence of processing on changes in the aroma compounds. AGFD 202 Optimization of reaction flavor for sweet-brown top-notes Laurianne Paravisini, paravisini.1@osu.edu, Devin G. Peterson. Food Sci. and Tech., Ohio State Univ., Columbus Historically, reaction flavors have been developed using empirical approaches to manipulate the initial precursors and reaction conditions until the desired flavor was obtained. A considerable amount of knowledge is available regarding the Maillard reaction, but the development of reaction flavors is still a challenge due to limited ability to control the reaction, as well as the inability to induce selectivity towards targeted reaction pathways. During the Maillard reaction, reducing sugars undergo a series of transformations leading to the generation of Reactive Carbonyl Species (RCS), which are building blocks for flavor formation. This innovative work demonstrates the utilization of the RCS composition as a new control point for reaction flavors in order to build targeted flavor systems.

Using isotope labeling and accurate Mass Spectrometry, the reactive intermediate composition was characterized in a glucose/proline model at different time points. The volatile compound 2-acetylpyridine was selected for the pop-corn like attributes and monitored using Gas Chromatography/Mass Spectrometry (GC/MS). Multivariate statistical analyses were used to evaluate the contribution of RCS to the generation of the targeted flavors and select key contributors. Finally, the processing conditions were optimized using Response Surface Methodology in order to generate high quantities of key RCS that significantly increase the yield of 2-acetylpyridine. Results showed that the optimization of the intermediate reactive composition, rather than the initial reactants, is a promising way to improve the design of reaction flavors and will provide more flexibility for the development of customized flavors. AGFD 203 Mitigation of the formation of acrylamide in foods – what has been achieved? Donald S. Mottram1, d.s.mottram@reading.ac.uk, Nigel Halford2, Stephen J. Powers2, Andrew Curtis3. (1) Dept. of Food and Nutritional Sciences, Univ. of Reading, United Kingdom (2) Rothamsted Research, Harpenden, United Kingdom (3) European Snacks Association, London, United Kingdom It is now 15 years since the occurrence of acrylamide, a probable carcinogen, in cooked foods was first reported. This presented enormous challenges to the food processing industry. As a consequence, a very large volume of work in academia and the food industry has been conducted to understand how acrylamide is formed and to examine approaches that could be adopted to minimise its occurrence. The mechanism of acrylamide formation via the Maillard reaction is well established. However, providing means of mitigating its formation in thermally processed foods, while maintaining the characteristic flavors and colors that are also formed in the Maillard reaction, has presented a challenge. While complete elimination of acrylamide from food has proved to be unachievable, advances have been made in reducing its level through modification to processing methods, plant breeding and agronomy. This presentation will consider these mitigation strategies and will use extensive data acquired from potato chips to show the extent to which acrylamide has decreased in this widely consumed snack food since 2002. AGFD 204 Acrylamide levels in chips made from vegetables other than potatoes Stephen Elmore, j.s.elmore@reading.ac.uk, Fei Xu, Maria-Jose Oruna-Concha. Dept. of Food and Nutritional Sciences, Univ. of Reading, United Kingdom Vegetable chips are a popular snack choice in the UK currently, partially because they are perceived as being a healthier option than potato chips. Numerous vegetables have beeen made into chips but the most popular are carrot, parsnip, sweet potato and beet, individually or as part of a vegetable chip mixture. In this paper, acrylamide levels in commercially available vegetable chips have been measured. Where the chips were sold as mixtures, the components were separated before analysis. Acrylamide was measured in bags of chips containing the four vegetables listed above, with each vegetable being analysed in at least ten snack products. In addition, as acrylamide is formed during the frying process from non-protein asparagine and reducing sugars, non-protein amino acids and reducing sugars were measured in fresh beet, carrot, parsnip and sweet potato, as little data on these vegetables are present in the literature. The values obtained for acrylamide and its precursors in these four vegetables are discussed and compared with published values for potato and potato chips. AGFD 205 Reducing the acrylamide-forming potential of wheat, rye and potato: Variety selection, genetic improvement and crop management Nigel Halford, nigel.halford@rothamsted.ac.uk, Sarah Raffan, Tanya Curtis. Rothamsted Research, Harpenden, United Kingdom The presence of acrylamide in popular foods is becoming

an increasingly difficult problem for the European food industry. The European Commission introduced ‘indicative’ levels for acrylamide in food in 2011 and is reviewing its options for tougher regulatory measures in response to a European Food Standards Agency CONTAM panel report of 2015, which described the potential neoplastic effects of dietary acrylamide as a concern. Acrylamide forms from free asparagine and reducing sugars during cooking and processing, and we aim to provide the knowledge, tools and resources to reduce the acrylamide-forming potential of wheat, rye and potato. There are significant differences between varieties with respect to acrylamide-forming potential in all three species, with free asparagine concentration determining acrylamide-forming potential in wheat and rye, but reducing sugar concentration being more important in potato. The genetic control (G) of free asparagine accumulation in wheat is being modelled and we are working with major UK wheat breeders (KWS, Syngenta, RAGT, Limagrain and Saaten Union), as well as the UK’s Agriculture and Horticulture Development Board and the Univ. of Bristol, to make genetic interventions targeted at key genes. Environmental factors (E) also have significant effects on acrylamide-forming potential, on their own and in combination with varietal differences (G × E), and crop management is important: An adequate supply of sulfur, for example, is essential to prevent a massive accumulation of free asparagine in wheat grain, and effective disease control is also important, while post-harvest storage is a critical factor for potato. Awareness of the acrylamide issue is high amongst large food producers in Europe, but very low amongst SMEs, the restaurant sector and consumers. Efforts to raise awareness amongst these groups are important but it must be remembered that cereals and potatoes are hugely important to global food security and significant health benefits are associated with eating wholegrain cereal products. AGFD 206 Formation of acrylamide in thermally processed foods and its reactions during in vitro digestion Vural Gökmen2, vgokmen@hacettepe.edu.tr, Aytül HAMZALIOĞLU1. (1) Hacettepe Univ., Ankara, Turkey (2) Food Engineering, Hacettepe Univ., Ankara, Turkey Ingestion of food is considered as the major route of exposure to many contaminants in human health risk assessment. Besides, total amount of a contaminant found in the ingested food does not always reflect the amount that is available to the body. Therefore, determination of the bioaccessibility of a contaminant from the matrix, and the fate of ingested contaminant during digestion is an important issue for human health. Acrylamide is one of the most widely encountered thermal process contaminants in foods such as bakery products, fried potatoes and coffee. However, information about its fate during the digestion of processed foods is lacking. This presentation describes the fate of acrylamide in bakery and fried potato products during in vitro multistep enzymatic digestion process simulating gastric, duodenal and colon phases Acrylamide levels gradually decreased through gastric, duodenal and colon phases during in vitro digestion of biscuits. At the end of digestion, acrylamide reduction ranged between 49.2% and 73.4% in biscuits. Binary model systems composed of acrylamide and amino acids were used to understand the mechanism of acrylamide reduction. High-resolution mass spectrometry (HRMS) analyses confirmed Michael type addition of amino acids to acrylamide during digestion. Contrary to bakery products, acrylamide levels increased significantly during gastric digestion of fried potatoes. The Schiff base disappeared rapidly meanwhile acrylamide level increased during the gastric phase. This suggests that intermediates like the Schiff base accumulated in potatoes during frying are potential precursors of acrylamide under gastric conditions. Due to its elimination and formation potential during in vitro digestion process, levels of acrylamide ingested with foods may not directly indicate its absorption rate through gastric, duodenal and colon.

AGFD 207 Analysis and occurrence of MCPD and glycidyl esters in infant formula and other complex food matrices Jessica Leigh2, jessica.leigh@fda.hhs.gov, Shaun MacMahon1. (1) FDA Center for Food Safety and App. Nutrition, College Park, Maryland (2) Center for Food Safety and Applied Nutrition, FDA, College Park, Maryland Fatty acid esters of 3-monochloro-1,2-propanediol (3-MCPD), 2-monochloro-1,3-propanediol (2-MCPD), and glycidol are process-induced chemical contaminants found in refined edible vegetable oils. Formed during the deodorization step of the refining process, these compounds are considered potentially carcinogenic and/or genotoxic, making their presence in edible oils and processed foods containing these oils a potential health risk. For this reason, research efforts over the last several years have focused on developing methodology for the extraction and quantitation of these contaminants in oils, infant formula, and other complex food matrices in an effort to determine levels of exposure. Methodology for extracting 3-MCPD and glycidyl esters from infant formula and various food products will be described in this presentation. Quantitation was performed using a LC-MS/MS method, with recoveries for the esters ranging from 85-115%. A detailed look at the occurrence of these contaminants in infant formulas and processed food products containing refined vegetable oils will also be discussed. Results from the occurrence studies show a wide range of 3-MCPD and glycidyl ester concentrations across different infant formula varieties and food products, as well as varying concentrations among similar products produced by different manufacturers. AGFD 208 Tracing quinone reactions in wine using C-13 labeling and QToF MS Lingjun Ma2, lingjunma.cau@gmail.com, Andrew L. Waterhouse2, Christoph Bueschl1, Rainer Schuhmacher1. (1) Dept. IFA-Tulln, BOKU Univ. Vienna, Tulln, Austria (2) Viticultural and Enology, UC Davis Quinones are key reactive electrophilic intermediates that are formed in abundance during wine oxidation and have a key impact on the outcome, degrading color and flavor. They can readily react with nucleophiles, such as SO2 and glutathione. However, there could be additional compounds in wine that quench quinones, and if so, it would not be possible to predict the result of oxidation in actual wine. The aim of the study is to investigate unknown quinone reaction products in wine using a labeling strategy employing 13C6 labeled ortho quinone and the accompanying HPLC QTof method. MS data was processed with the TracExtract module of MetExtract II. In addition, a database search using the list of putative biotransformation products as well as a brief multivariate statistical comparison of the analyzed samples using the detected features were performed. In total, 410 metabolites in neg. mode and 144 metabolites in pos. mode labeled with +6, +12, +18, and some even with +24 were detected. The identity of some of these products are expected based on predicted reactions, but many unexpected products appeared as well. High resolution MS data provides some insight into possible structures. By knowing the inventory of nucleophiles available in wine, then it will be easier to provide winemakers with better predictions of how specific materials will protect wines from oxidation. Additionally, this labeling technique could serve as a tool to further investigate the complex reactions in wine. AGFD 209 Elemental profiling to establish authenticity of grapes and wines Courtney Tanabe2,3, Joshua Godshaw2,3, Roger Boulton2, Susan E. Ebeler2,3, seebeler@ucdavis.edu, Helene Hopfer4,3, Jenny Nelson1,3, jenny_nelson@agilent.com. (1) Agilent, Inc., Santa Clara, California (2) Dept of Viticulture and Enology, Univ. of California, Davis (3) Food Safety and Measurement Facility, Univ. of California, Davis (4) Dept of Food Sci., The Pennsylvania State Univ., Univ. Park Elemental profiling has been proposed as an approach for geographic authentication of grapes and wines.

Recently, both inductively coupled plasma-mass spectrometry (ICP-MS), inductively coupled plasma-optical emission spectroscopy (ICP-OES), and microwave plasma atomic emissions spectroscopy (MP-AES) have been used to measure a range of elements at varying concentrations in grapes and wines. Using these approaches, we have demonstrated that grape/wine elemental profiles vary across a range of geographic scales, i.e., across different countries, different American Viticultural Areas (AVAs), and different regions within an AVA. However, winemaking and storage conditions can subsequently alter the elemental profiles of the grapes making it critical that effects of processing on the elemental profiles of the finished wines be fully evaluated. Further, our studies have demonstrated that sample preparation methods for wine analysis by ICP-MS should be carefully monitored to ensure accurate measurement of elements in the wine. As a result, development of approaches using elemental profiles to establish authenticity of grapes and wines from different cultivars and growing regions must take into consideration these complex interrelationships involving vineyard site, processing and storage conditions, and sample preparation and analysis methods. AGFD 210 No standards? No problem! A standard-less isotope dilution speciation method to quantify adulteration of green table olives with copper compounds Patrick J. Gray, patrick.gray@fda.hhs.gov, Todor Todorov, Bhakti Petigara Harp, Pierluigi Delmonte, Peter F. Scholl. Center for Food and Applied Nutrition, FDA, College Park, Maryland Green table olives are popular throughout Europe and the US and are known for their bright green color, pleasant flavor, and high price. High value and high demand foods such as green table olives are ripe targets for economic adulteration. Green table olives get their bright green color from chlorophylls but lose this color during alkaline processing, which removes the olives’ bitter taste but also changes their color to yellow or brown. There have been reports of color adulteration of table olives because consumers prefer the green olive color similar to the fresh fruit. It is possible to keep the bright green color by adding copper salts or copper chlorophyllin during processing, although these are unapproved color additives for olives in the EU (E-141ii colorant) and US. Measuring only total copper is insufficient for regulatory action; rather, a specific and unambiguous identification of unapproved coloring agents is required. In response, we developed innovative and complimentary methods to accurately identify and quantify copper-based adulterants in green table olives. We report a standard-less method to identify and quantify copper chlorophylls and chlorophyllins using a species unspecific isotope dilution ultra-high pressure liquid chromatography (UHPLC) method combined with inductively coupled plasma-mass spectrometry (ICP-MS) detection. The copper species were separated by UHPLC and mixed with a post-column stable enriched isotope effluent. The copper compounds were then detected and measured by ICP-MS. We compare the isotope dilution calibration to an external calibration approach using in-house isolated Cu-complexes. Finally, we report analytical merits of the developed method and results from a survey conducted for scientific study and method development and validation testing locally purchased green table olives. AGFD 211 Forensic DNA-based species identification tools for hazards assessment, investigation of seafood-related illness, and detection of seafood fraud Jonathan Deeds, jonathan.deeds@fda.hhs.gov. Center for Food Safety and Applied Nutrition, US FDA, College Park, Maryland Seafood labeling is required to be truthful and not misleading. Truthful labeling requires identifying seafood species using an acceptable market name. FDA provides guidance to industry on the development and use of acceptable market names for seafood sold in interstate commerce. Incorrect use of an established acceptable market name that results in

the labeling being false and/or misleading can result in the product being misbranded and/or adulterated. In addition, due to its incredible diversity, the control strategies for hazards associated with various seafood products are species-specific. Correct labeling for species is essential to the proper implementation of FDA’s Hazard Analysis Critical Control Point (HACCP) regulation. In recent years there have been numerous reports of seafood in the U.S. being labeled with an incorrect market name which has had negative impacts both on the seafood industry and on consumer confidence in seafood. In response to this issue, CFSAN initiated Project Fish SCALE (Seafood Compliance and Labeling Enforcement) which is a multi-faceted approach to address FDA issues with seafood labeling and species identification. At the heart of this project is the updating of FDA’s species identification capabilities to include state-of-the-art forensic techniques using DNA sequencing. Protocols, reference standards, and other training materials generated through this project are now being used in FDA Office of Regulatory Affairs Regional Field Laboratories across the country whenever the identity of a seafood product needs to be determined. In addition, these materials are being used by other domestic and international agencies as well as by private laboratories that directly service the seafood industry. These tools have allowed FDA to respond to claims of mislabeling and fraud, take regulatory action against non-complaint seafood producers and distributors, and has enhanced our ability to rapidly respond to illness outbreaks involving seafood. AGFD 212 Identification of strain specific bacterial proteins and protein toxins by top-down and bottom-up mass spectrometry Melinda McFarland, melinda.mcfarland@fda.hhs.gov, Shu-Hua Chen, Denis Andrzejewski, Sandra Tallent, Timothy R. Croley. FDA-CFSAN, College Park, Maryland Typing and trace-back of bacteria and bacterial toxin contamination in the food supply requires a high level of specificity. While MALDI-TOF MS has emerged as a rapid method for routine identification of microorganisms by mass spectrometry, commercial methods are generally not applicable to the subspecies and serovar level identification needed to differentiate Salmonella. The combination of ESI-LC-MS generated intact protein expression profiles and top-down mass spectrometry provides a robust platform for identification of protein markers that result from serovar specific non-synonymous SNPs, without the need for a sequenced genome. Combinations of marker proteins can also be used in assays for rapid and sensitive differentiation of bacteria at the peptide level by bottom-up mass spectrometry in a food matrix. These methods are also applicable to differentiation across staphylococcal enterotoxin proteins, which currently face cross reactivity challenges in ELISA assays. AGFD 213 Effects of adulteration technique on the NIR detection of melamine in milk powder Peter F. Scholl1, peter.scholl@fda.hhs.gov, Marti Bergana2, Betsy J. Yakes1, Zhuohong Xie3, Steven Zbylut4, Gerard Downey5, Magdi M. Mossoba1, Joseph E. Jablonski6, Sanjeewa Karunathilaka1, Luke K. Ackerman1, Robert L. Magaletta7, Stephen Holroyd8, Martin Buehler9, Jianwei Qin10, William Hurst11, Joseph LaPointe12, Dean Roberts13, Carol Zrybko7, Andrew Mackey7, Jason Holton2, Greg Israelson14, Anitra Payne15, Boyan Gao16, Moon Kim10, Kuanglin Chao10, Jeffrey Moore3. (1) Ctr for Food Safety and App. Nutrition, Office of Regulatory Science, FDA, College Park, Maryland (2) Nutrition Div., R&D, Abbott Lab., Columbus, Ohio (3) U.S. Pharmacopeial Convention, Rockville, Maryland (4) General Mills, Inc., Minneapolis, Minnesota (5) Teagasc, Dublin, Ireland (6) Ctr. for Food Safety and App. Nutrition, Office of Food Safety, FDA, Bedford Park, Illinois (7) Mondelez Int’l, East Hanover, New Jersey (8) R&D Centre, Fonterra, Palmerston North, New Zealand (9) Meter Group, Inc., Pullman, Washington (10) Environmental, Microbial, and Food Safety Laboratory, USDA, Beltsville, Maryland (11)

Technical Center, The Hershey Company, Hershey, Pennsylvania (12) IonSense, Inc., Sangus, Massachusetts (13) Bruker Optics, Inc., Madison, Wisconsin (14) Quality Assurance, R&D Network, Nestle Purina Petcare, St. Louis, Missouri (15) Dairy Food R&D, Land O'Lakes, Arden Hills, Minnesota (16) Dept. of Nutrition and Food Sci., Univ. of Maryland, College Park The U.S. Pharmacopeia has led an international collaborative project to develop a tool-box of targeted and non-targeted methods, along with reference materials, to detect milk adulteration. During the evaluation of rapid screening methods, spray-dried milk powders prepared by dissolving melamine in liquid milk exhibited an unexpected loss of characteristic melamine near infrared spectral features. This “wet-blending” effect has not been reported in any prior study because only dry-blended milk samples were used. Prior studies focused on detection algorithm development predicated on library spectra acquired from more easily produced dry-blended samples; they did not address sample preparation effects, such as wet-blending, although this technique was used in the 2008 melamine infant formula scandal. The U.S. Pharmacopeia Skim Milk Powder Advisory Group studied the wet-blending phenomenon by comparing the near infrared detectability of melamine in spray dried milk powders prepared using wet- and dry-blending techniques. Unlike dry-blending, wet-blending altered characteristic spectral features of crystalline melamine that interfered with its targeted detection. In contrast, non-targeted screening using a soft independent model of class analogies algorithm enabled proper classification at ~0.1% melamine in wet- and dry-blended samples. Complementary analytical methods (polarized light microscopy, Raman spectroscopy, 1H NMR, dielectric relaxation spectroscopy, X-ray diffraction, and mass spectrometry) provided insights into how wet-blending contributed to differences in melamine near infrared spectra. The “wet-blending” phenomenon was further explored in a simplified experimental model using spray-dried melamine and lactose. Targeted detection estimates based on dry-blended reference standards are likely to overestimate near infrared detection capabilities in wet-blended samples due to previously overlooked matrix effects arising from: differences in melamine H-bonding status, covalent complexation with lactose, and the lower, but more homogeneous melamine local concentration distribution, produced in wet-blended samples. Techniques used to incorporate adulterants can determine the suitability of milk reference standards for use with rapid detection methods. AGFD 214 Flavors and flavorings in a clean label environment Keith R. Cadwallader, cadwlldr@illinois.edu. Dept. Food Sci. Human Nutr., Univ. of Illinois, Urbana In almost all cases flavor is the main determinant of a consumer’s enjoyment and ultimately acceptance of a food product. Food companies are well-aware of this fact and go to great lengths to create products with desirable flavor attributes. This is often achieved by the judicious use of natural and/or artificial flavorings. The recent clean label trend has caused the food and flavor industries to rethink how they use and label ingredients. In the case of flavor even the phrase “contains natural flavors” is not necessarily considered positive in the consumer’s mind since it indicates that a foreign ingredient has been added to the product. In extreme cases when it is desired to declare only ingredients considered to be wholesome by the clean label-conscious consumer it is necessary to find alternative ways to generate, enhance or otherwise impart flavor to the product. This talk will discuss novel, creative and traditional ways that have been developed and perhaps rediscovered by food product developers to achieve optimal flavor without the need to uses or declare added flavorings. AGFD 215 Clean label antioxidants in food application Fereidoon Shahidi, fshahidi@gmail.com. Biochem Dept, Memorial Univ of Newfoundland, St. Johns, Canada Food quality deterioration arising from oxidation processes may be effectively

controlled using antioxidants. While synthetic antioxidants that have traditionally been used have fallen out of favor, there is demand by consumers for clean label products. Thus, research on natural sources of antioxidant has grown exponentially in recent years. Although many compounds and products with antioxidant potential have been found, regulatory hurdles have prevented their widespread use in food applications. These regulations state that antioxidants can be used in a nutrient content claim context and as such required daily intake needs to be established. Each nutrient should also have recognized antioxidant activity and be used at a level sufficient to qualify the nutrient content claim. As such, very few natural antioxidants could be used. However, natural antioxidants may be incorporated into foods as spices and herbs, binders, protein extenders and processing aids. Examples will be provided to critically review this topic and demonstrate practical use of natural and alternate sources of antioxidants in foods. AGFD 216 Converting phyto-compounds to multifunctional food ingredients Romeo T. Toledo1,2, romeo_toledo@bellsouth.net. (1) Food Sci.& Tech., Univ. of Georgia, Hull (2) R&D, Isoage Technologies, LLC, Athens, Georgia, US Plant sourced materials habe been used as medicinal, nutitional, and apetite enhancing food ingredients since ancient times. Compounds in "mother nature's" cornucopia such as vanilla, chocolate, fruit flavors, and spices are well known to consumers. However, compounds in plants identified to to be functional in foods are of inadequate concentrations to deliver the desired effect. Food preservation through dehydration and biologcal conversion through fermentation could enhance functional attributes of plant-sourced ingredients. These treatments produce preparations now ubiquitous in consumers' food pantrties. The principle of ingredient name familiarity in food labels is used to define consumer-friendly ingredients. Technology -based selection of components results in multifunctional ingredients whidh provides miltuple functionaity with minimal number of declared componens. Commercially successful "mother nature" based ingredient technology must not reduce organoleptic acceptability at levels needed for effective functionality. Examples of "mother nature" sourced igredients and processing principles to deliver desired functional activities will be presented. AGFD 217 Chemistry and challenges in using natural sourced colors exempt from FDA certification Mark Goldschmidt, mark.goldschmidt@sensient.com. Global Quality Control and Product Safety, Sensient Technologies Corp., Milwaukee, Wisconsin Colorants are applied in a broad range of products that impact our lives. With up to 85% of consumer buying decisions potentially influenced by color, appropriate application of color is critical to product selection and experience. Color additives are defined by the FDA as any dye, pigment or other substance that can impart color to a food, drug or cosmetic or to the human body. Under current regulations, color additives fall into two categories: Those subject to the FDA’s certification process, and those that are exempt. Certified colors include FD&C lakes and dyes commonly seen in many food and beverage products. Recently, a growing consumer interest in “natural colors” has led to a broad application of plant extracts and other materials as “exempt” colorants in foods and beverages. From a quality and safety perspective, the certification process for FD&C lakes and dyes includes a high level of quality control and safety evaluation to certify these additives. The FD&C lakes and dyes are synthetically produced which allows for a highly consistent and reproducible end color. However, for “natural sources” there is a general lack of product definitions or publicly available purity, quality and safety specifications that are consistently applied. This can lead to a wide range of challenges in formulating for consistency, stability and quality. Factors such as light, heat in processing and shelf life can cause a wide variation in the sensory performance of the

product that ends up on the store shelves. The risk of adulteration and contamination across the field of natural products ranges from plant sourcing and product labeling to product claims. To address the pressing needs for consistent standards for generation and application of colors from natural sources, a panel with expertise in plant biology, food chemistry, food toxicology, food product development and manufacturing as well as food quality and regulatory affairs was convened from December 2012 to September 2014. The focus of this talk is to highlight the expanding use of natural colors in the food industry and discuss key quality attributes and potential safety hazards affecting sourcing and use of food colorants from natural sources. AGFD 218 Carotenoids and natural and functional food colorants Kazuo Miyashita, kmiya@fish.hokudai.ac.jp. Bioresources Chemistry, Hokkaido Univ., Hakodate, Japan The growth in use of natural colors comes from increasing consumer pressure for natural products. However, because of their high sensitivity to oxidation, pH change and light, only a limited number of pigments from nature are available for natural colorants. Carotenoids belong to the tetraterpenes family found principally in plants, algae, photosynthetic bacteria and animals. They are one of the most important natural colorants and their much wider application to food coloring are now expected, because they are considered to play a role in the prevention of common chronic diseases such as cardiovascular disease, age related macular degeneration, and cancers. AGFD 219 Stabilization of anthocyanins with food pigment potential and their insulin sensitizing effect in adipocytes under inflammatory status E Demejia, edemejia@illinois.edu, Diego Luna-Vital. Food Sci. and Human Nutrition, Univ. of Illinois, Urbana Natural pigments such as anthocyanins (ANC) from purple corn are an alternative to synthetic food colorants with biological activity. The aim was to use zinc ions and alginate to improve the stability of an ANC-rich extract from purple corn (PCW) in a beverage and to evaluate its insulin sensitizing effect in adipocytes under tumor necrosis factor alpha (TNF-α)-induced inflammatory status, in vitro. Samples were prepared in Kool-Aid Invisible® and were added with PCW (0.5 mg/mL), zinc chloride (0.4 mM) and/or alginate (0.01%) and stored for 12 weeks at 25 °C. Total ANC concentration, cyanidin-3-O-glucoside (C3G) and color parameter chroma were assessed. Also, 3T3-L1 preadipocytes were hormone-dependent differentiated to mature adipocytes, and then treated with 1 ng/mL of TNF-α for 7 days. Insulin resistant adipocytes were then treated with PCW (0.4 mg/mL) and assessed for glucose uptake, phosphorylation pattern of the insulin receptor pathway, and glucose transporter type 4 (GLUT4) membrane translocation. The addition of zinc and alginate to PCW, improved the half-life of total ANC concentration (10.4 weeks), C3G (7.5 weeks) and chroma (18.4 weeks), compared to only PCW (6.6, 4.5 and 12.7 weeks, respectively) in the beverage model. On the other hand, PCW increased by approximately 35% glucose uptake compared to insulin resistant adipocytes, suggesting an increase in insulin sensitivity. A total of 20 out of 60 proteins had a differential phosphorylation pattern compared to the insulin resistant adipocytes in response to PCW, such as the eukaryotic translation initiation factor 4E-binding protein 1, protein kinase B, Bcl-2-associated death promoter, RAF proto-oncogene serine/threonine-protein kinase, extracellular signal-regulated kinase, forkhead box O protein, inhibitor of nuclear factor kappa-B kinase, glycogen synthase kinase 3, mechanistic target of rapamycin, among others. Importantly, PCW reduced (p < 0.05) the phosphorylation status in serine residues of the insulin receptor substrate 1 (Ser312: -6.3-fold, Ser307: -1.8-fold, Ser794: -1.6-fold, Ser612: -1.5-fold). As determined by confocal microscopy, PCW promoted membrane translocation of GLUT4 in insulin resistant adipocytes, which

correlated with glucose uptake. In conclusion, zinc and alginate are possible additives for the improvement of color and chemical stability of natural pigments from purple corn. ANC present in purple corn can promote beneficial effects in obesity-related complications. AGFD 220 Lipid hydroperoxides and the either promoting or inhibitory role of phenolic compounds in 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP) formation Francisco J. Hidalgo, fhidalgo@ig.csic.es, Rosario Zamora. Instituto de la Grasa-CSIC, Sevilla, Spain Phenolic compounds have been traditionally employed for controlling heterocyclic aromatic amine formation, and diverse studies have shown that the use of phenolic compounds (and plant extracts rich in them) decreases the 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP) formed in foods. However, there is not a correlation between the antioxidant/free radical scavenging ability of phenolic compounds and the inhibition of PhIP formation. In fact, addition of some phenolic antioxidants are able to increase the PhIP produced. In an attempt to understand the commonly observed dual role of phenolics as promoters and inhibitors of processes involving both free radicals and carbonyl compounds, this study analyzes the effect of the 13-hydroperoxide of linoleic acid on the formation of PhIP in the presence of a wide array of phenolic compounds. As comparison, the same reactions were also studied by substituting the hydroperoxide with 4-oxo-2-nonenal, a carbonyl compound derived from it. The obtained results showed that some phenolics can act as promoters or inhibitors of PhIP depending on the presence or not of the lipid hydroperoxide. This behavior is explained by the production of lipid radicals that can oxidize phenolics and increase the concentration of the carbonyl compounds needed for the formation of PhIP. The structure-reactivity of phenolics in their promoting/inhibitory activity is discussed. AGFD 221 Simultaneous formation of undesired food-borne toxicants and desired aroma-active compounds Michael Granvogl, michael.granvogl@ch.tum.de. Technical Univ. of Munich, Garching, Germany In the past, many studies have been undertaken to elucidate the key odorants of food and to identify formation pathways of the so-called “food-borne toxicants”. But, up to now, analytical approaches including the quantitation of desirable aroma-active compounds in combination with undesirable toxicologically relevant substances by sensitive methods are scarcely available. The lecture will present recent studies, which were combining the analysis of important aroma compounds and of selected food-borne toxicants (e.g., acrylamide, acrolein, crotonaldehyde, styrene, etc.) formed during food-processing, e.g., brewing of beer or deep-frying of potato chips and donuts in different edible oils. Odorants were identified by gas chromatography-olfactometry as well as GC-MS and quantitated by stable isotope dilution analysis (SIDA). For the toxicants, new quantitation methods using stable isotopically labeled standards (e.g., [13C3]-acrolein or synthesized [13C4]-crotonaldehyde) were developed and formation pathways were proven by labeling experiments. In summary, it will be shown that lowering the amounts of undesirable compounds in combination with the maintenance of an overall aroma well accepted by the consumers is a challenging task, but mitigation strategies of the "bad guys" can be adviced after getting the knowledge of formation pathways. AGFD 222 Alleviation chronic cadmium stress toxicity in albino rats using some domestic plants emad shaker1, eshaker10@yahoo.com, said mnaa2. (1) Agric. Chemistry, Minia Univ., Egypt (2) Nutrition, Monofia Univ., Egypt Cadminum is an environmental contaminant in air, soil, water and can induce damage to various tissues in very low concentration. Biological experiment has been occurred to focus on Cd oxidative stress. In drinking water rat received daily 100 mg/kg body weight cadmium (CdCl2.2½H2O). Female rats fed standard chow diet mixed with 100 mg/kg body

weight N-acetyl cysteine NAC as standard protective agent. Rats in other tested groups fed chow diet mixed with 200 mg/kg body weight dried husk tomato, nabk and sycamore in separated groups as natural edible powder plants. The toxicity of cadmium in biomedical and histopathological analysis was investigated without and with protective powder plants compare to NAC. Four weeks experiment showed the toxic contaminated cadmium in serum alkaline phosphatase, creatinine, malondialdehye and catalase activity beside the histological patterns for liver, kidney, ovary and brain sections. Results showed that husk tomato poses high protective effect closed to that for NAC in most values. Moreover, the proven potential for NAC and husk was clearly found in body weight, food efficiency ratio, liver and kidney disorders. The health values of lipid peroxidation and catalase activity as oxidative stress markers were observed in NAC and husk as well. Liver tissue, the most related organ to Cd toxicity was improved in histology patterns through NAC and husk administration. AGFD 223 Analysis of arsenolipids in seafood Sean Conklin1, conklinsd@hotmail.com, Mesay M. Wolle2. (1) CFSAN, US FDA, Burtonsville, Maryland, US (2) CFSAN, US FDA, College Park, Maryland Arsenolipids comprise a large family of non-polar arsenic compounds found in many types of seafood and seaweed. The last 20 years have seen dozens of arsenic-containing fatty acids, hydrocarbons, and phospholipids identified in seafood samples. Preliminary toxicological studies have indicated that some arsenolipids may resemble inorganic arsenic more than arsenobetaine in terms of toxicity, contrary to the reputation organic arsenicals currently enjoy as less-toxic compared to inorganic arsenic. While speciation analysis for inorganic arsenic is being employed routinely in more and more labs, those methods are not applicable to non-polar arsenic determination, and few labs are currently engaged in arsenolipid-related research. Recently at FDA, there has been increased interest in quantifying arsenic species in seafood, including arsenolipids. Initial results of FDA’s arsenolipid speciation analysis efforts will be presented as part of a general overview of this area of ongoing investigation. AGFD 224 Detecting and distinguishing among covalent and non-covalent differences in proteins: Shiga toxins and prions Christopher J. Silva, christopher.silva@ars.usda.gov, Melissa L. Erickson-Beltran. Agricultural Research Service, USDA, Albany, California The structural variety of food associated contaminants is remarkable. This diversity spans compounds from small molecules to protein toxins to infectious proteins. The small molecules are stoichiometric toxins while the protein toxins are catalytic. This means that the molar amount of a protein toxin required to sicken a person is substantially less than that of a small molecule. Infectious proteins (prions) are able to convert a normal cellular prion protein (PrPC) into a prion (PrPSc), thereby propagating a pathology as they amplify their numbers. Unlike protein toxins, the structural differences between PrPC and PrPSc are solely conformational. Detecting and distinguishing among these foodborne prions and protein toxins is important and also a significant challenge. Shiga toxin is the major virulence factor of STEC (Shiga toxin producing Escherichia coli), a source of many of the serious foodborne disease outbreaks. We have developed a sensitive and specific mass spectrometry-based method of detecting Shiga toxins, based on the detection of characteristic tryptic peptides derived from the non-toxic B subunits of these toxins. An artificial gene encoding a single protein containing the relevant peptides was used to generate the needed 15N-labeled internal standards. This approach can be used to quantify and distinguish among the known type 1 and type 2 Shiga toxins in the low attomole range in complex media, including human serum. Prions can be transmitted by consuming contaminated food. They cause protein misfolding diseases, such as transmissible

spongiform encephalopathy (TSE). PrPC is monomeric and sensitive to proteinase K (PK) digestion, while PrPSc is multimeric and relatively resistant to PK. Multiple prion conformations or strains can be derived from the same PrPC substrate, each strain having a distinct TSE pathology. We have developed a mass spectrometry-based method of detecting prions in the attomole range. We use small molecule reagents to distinguish among prion strains and to detect them by mass spectrometry-based or antibody-based methods. The required internal standards are derived from the 15N-labeled recombinant PrP proteins. In this way protein conformations can be detected using either mass spectrometry or antibody-based methods. AGFD 225 Use of a novel xMAP food allergen detection assay to detect food allergens Eric A. Garber, Eric.Garber@fda.hhs.gov. CFSAN HFS-716, FDA, College Park, Maryland The lack of a cure for food allergies means that allergic consumers are dependent on the accuracy of food labels to avoid allergic, potentially life-threatening reactions. To help assure the accuracy of food labels and the detection of food allergens due to inadvertent cross-contact, the FDA relies on antibody-based methods such as ELISAs. Though easy-to-use and displaying detection limits consistent with the analytical needs, ELISAs have many drawbacks. A potential solution for the insufficiencies of ELISAs is the recently developed commercial xMAP Food Allergen Detection Assay (xMAP FADA). The xMAP FADA simultaneously can detect crustacean, egg, gluten, milk, peanut, soy, and nine tree nuts. By employing two capture assays for most analytes and two different extraction procedures, the assay provides built-in confirmation. In addition, the use of 22 different antibodies to detect legumes and tree nuts enables the use of multi-antibody antigenic profiling, which provides a secondary form of confirmation and has been used to detect and identify non-targeted analytes that display cross-reactivity. AGFD 226 Presence of undeclared allergens in food: A multi-allergen approach by mass spectrometry Christine H. Parker, Christine.Parker@fda.hhs.gov. Center for Food Safety and Applied Nutrition, FDA, College Park, Maryland Undeclared food allergens account for 30–40% of food recalls in the US. Reliable methods for allergen detection and quantitation are required for implementing effective allergen control plans and complying with ingredient labeling regulations. These methods must be effective despite food-processing-induced changes to the biophysical and immunological properties of allergen proteins within a food matrix sample. In this work, a liquid chromatography (LC)-mass spectrometry (MS) multi-allergen method was developed for allergen detection in complex food samples. Combining enhanced protein solubilization with differential MS methodologies enables a peptide-specific view of changes in allergen proteins induced by food processing. Using an MS1-based global mapping of the A. hypogaea proteome, a characterization of structural isoforms, cultivar variations, and protein modifications enable the identification of peanut in a variety of foods. The application of this approach is exemplified in the detection of undeclared food allergens in cumin, one of the largest food safety recalls since the Food Allergen Labeling and Consumer Protection Act (FALCPA) of 2004. To meet the need for multi-analyte detection of homologous protein allergen families, a multiplexed mass spectrometry screening method was designed to identify and differentiate cross-reactive legume and tree nut allergens. Understanding the advantages and limitations of available methods for food allergen detection, with respect to sample extraction, thermal processing, and biomarker selection, aids to enforce regulatory compliance, support allergen management in the food industry, and most importantly, mitigate the risk to consumers with food allergies.

AGFD 227 Development and validation of a hepatotoxicity prediction model using cultured clone-9 cells Liu Jie1, liujiefantasy@163.com, Weiying Lu3, Xiangjun Sun3, Chen Zou3, Liangli L. Yu2. (1) Beijing Advanced Innovation Center for Food Nutrition and Human Health, Beijing Tech. & Business Univ. (BTBU), China (2) Univ. of Maryland, College Park (3) Dept. of Agriculture and Biotechnology, Shanghai Jiaotong Univ., China Many edible botanicals have been recommended as functional supplements for their health benefits. However, there are increasing concerns for the liver toxicity of concentrated phytochemicals. Meanwhile, predicting and screening liver toxicity for food components without structural information is needed for food safety ensurance. In the present study, a non-targeted hepatotoxicity prediction model was developed using principal component analysis (PCA) with five liver toxicity endpoints, including oxidative stress, mitochondrial membrane potential change, LDH leakage, ATP and DNA content in rat liver Clone-9 cells. This model was validated using primary rat hepatocytes, and a second set of six food components and two botanical extracts. According to the hepatotoxicity prediction model, the tested phytochemicals were classified into non/little, middle or high hepatotoxic potential groups, which were in great agreement with literatures. The prediction model has potential for non-targeted detection and screening of liver toxicants in foods without knowing their chemical compositions and structures. AGFD 228 Novel tool for in vitro toxicity screening of foods using biosensor-expressing human kidney cells Miriam Mossoba, miriam.mossoba@fda.hhs.gov, Sanah Vohra, Elmer Bigley III, Zachary Keltner, Paddy Wiesenfeld. FDA, Laurel, Maryland From a regulatory and research perspective, the outcomes from in vitro toxicology testing of foods, dietary supplements, and additives can help stratify which compounds merit further safety assessment using analytical and/or classical in vivo toxicology methodology. In vitro toxicology methods carry the advantages of yielding informative data about the potential chemical hazards in foods as well as their cellular mechanisms of action in a relatively short timeframe than would be obtained from an in vivo study. The fact that the majority of in vitro toxicology screening methods are commercially sourced, however, ultimately results in the use of proprietary reagents that (a) are expensive and (b) can impede troubleshooting efforts in some situations. Moreover, the need to screen multiple food-related ingredients in parallel at multiple concentrations and durations of exposure creates the requirement for more efficient in vitro toxicity screening tools. To help address some of these issues, we have developed a ‘designer’ human kidney cell line we coined HK2-Vi. This cell line was genetically engineered by lentivirus to stably encode the Perceval HR biosensor, which differentially fluoresces when bound to ATP vs. ADP. The ratio of ATP to ADP indicates the proportion of cells that are alive. We designed this novel in vitro tool to be an inexpensive kinetic assay that yields data on short- or long-term kidney cell viability after toxin exposure. We tailored this prototypic tool towards kidney cell testing because the kidneys are inherently vulnerable to the effects of toxins, due to their important role in concentrating blood solutes within their specialized compartments. Proof-of-principle experiments using food additive or metabolic poison compounds will be followed by comprehensive testing to help establish HK2-Vi as a rapid and cost-efficient tool for in vitro toxicology screening of foods, dietary supplements, and additives. AGFD 229 Persistent luminescence nanophosphor-based optical imaging for determination of aflatoxin in cells via time-resolved fluorescence resonance energy transfer Jing-Min Liu, liujingmin1986@tust.edu.cn, Shuo Wang, s.wang@tust.edu.cn. School of Medicine, Nankai Univ., Tianjin, China Development of

real-time and in situ analytical methods for sensitive and selective determination of food-born hazard substances indigested into human body, like toxins, has appeared as the key research direction in the food safety area, so as to clarify the harmful action mechanism inside the human body. Herein, optical imaging technology with real-time monitoring and non-damage detection ability was introduced for specific detection of aflatoxin in cellular levels via the fluorescence resonance energy transfer (FRET) inhibition assay. Persistent luminescence nanophosphors (PLNPs) that possess the instinct advantages of improved signal-to-noise ratio and sensitivity of imaging, as well as the excellent photostability and biocompatibility, were employed as the photoluminescence nanoprobes, while the antibody-modified gold nanorods were utilized as the quencher. The long-lasting afterglow nature of PLNPs allows detection and imaging without external illumination, thereby eliminating the autofluorescence and scattering light from biological matrixes encountered under in situ excitation. The proposed FRET inhibition assay has achieved high sensitivity and specificity, as well as the improved imaging resolution for the target aflatoxin present in cells. This work will open up the new way for the applications of optical bioimaging in food safety detection, and broaden the methodology development for food safety investigation based on the advanced functional nanomaterials. AGFD 230 Antimicrobial activity of sophorolipids against foodborne pathogenic bacteria Xuetong Fan1, xuetong.fan@ars.usda.gov, Xuejie Zhang2, Richard Ashby1, Daniel Solaiman1. (1) Eastern Regional Research Center, ARS, USDA, Wyndmoor, Pennsylvania (2) Inst. of Vegetables and Flowers, Chinese Academy of Agricultural Sciences, Beijing, China Foodborne human pathogens such as Listeria monocytogenes, Escherichia coli O157:H7 and Salmonella spp. are responsible for most recent foodborne bacterial outbreaks and illnesses in the U.S. Consumers and the food industry increasingly prefer natural antimicrobials over synthetic chemicals to control human pathogens due to concerns over the potentially adverse impact of synthetic compounds to human health and the environment. Sophorolipids, produced by a number of yeasts such as Candida bombicola, are a class of naturally derived glycolipid compounds composed of a disaccharide sophorose which is β-glycosidically linked to a long fatty acid chain. This presentation reviews recent developments in evaluating antimicrobial property of sophorolipids pertaining to the inactivation of foodborne human pathogens, factors affecting the antimicrobial efficacy and inactivation mechanisms. The potentials and limitations for commercial application of sophorolipids to enhance microbial food safety will also be discussed. AGFD 231 3,6-Anhydro-L-galactose as a new natural anticariogenic sugar Eun Ju Yun, Ah Reum Lee, Kyoung Heon Kim, khekim@korea.ac.kr. Dept. of Biotechnology, Korea Univ., Seoul, Korea (the Republic of) The demand for anticariogenic sugar substitutes is growing due to increasing consumption of dietary sugars and also rising concerns of dental caries. Xylitol has been widely used as an anticariogenic sugar substitute. However, the inhibitory effects of xylitol on Streptococcus mutans, which is the main cause of tooth decay, are shown only at high concentrations of xylitol. In this study, the inhibitory effects of 3,6-anhydro-L-galactose (AHG) were tested on S. mutans in comparison with those of xylitol. AHG is a rare sugar obtained from the hydrolysis of agar in red macroalgae. In the presence of 5 g/L of AHG, the growth of S. mutans was slowed down. At 10 g/L of AHG, the growth and lactic acid production by S. mutans were completely inhibited. Meanwhile, in the presence of xylitol, at a much higher concentration (i.e., 40 g/L), the growth of S. mutans still occurred. These results suggest that AHG can be used as a new anticariogenic sugar substitute which possibly could replace xylitol.

AGFD 232 Formation and mass spectrometric identification of acetaldehyde-catalyzed condensation of red radish (Raphanus sativus) anthocyanins and catechin Nate B. Stebbins2, nbstebbi@uark.edu, Luke Howard1, Ron Prior2, Cindi Brownmiller2. (1) Univ of Arkansas, Fayetteville (2) Food Sci., Univ. of Arkansas, Fayetteville There is great demand to replace artificial colors with natural alternatives. Many natural colorants face issues with solubility, potential interactions with food matrices, off flavors, and poor stability to pH, temperature, light and ascorbic acid. Anthocyanins are a class of pigments found in many fruits and vegetables that are water-soluble and range from red to purple. Red radish anthocyanins are particularly stable due to acylation of anthocyanin with organic and phenolic acid moieties. We combined radish anthocyanins with acetaldehyde, and catechin to form small polymers that retain color. The reaction between anthocyanins, acetaldehyde, and flavanols has been well documented in wine, but has not been studied extensively in other fruits and vegetables. After incubation at ambient temperature for one week the reaction mixture with acetaldehyde and catechin turned from a bright red of the radish extract to a vivid purple color. The newly formed polymers were identified with LC-ESI-MS. High resolution FT-MS confirmation of masses is currently underway. Color stability of the extracts was monitored over time with CIEL*C*h and anthocyanin stability was evaluated by HPLC. Natural sources of catechin were used to replace the catechin standard, but the same purple color did not appear with the addition of cranberry, grape seed, or green tea extracts. AGFD 233 Oxidative stability of fish oil-in-water emulsions stabilized by protein-polyscharide complexes Mara Krempel1, marakrempel@sbcglobal.net, Kristen Griffin3, Hanna(John) Khouryieh2. (1) Western Kentucky Univ., Bowling Green (2) Food Processing and Tech., Western Kentucky Univ., Bowling Green The objective of this research was to improve the oxidative stability of fish oil-in-water (O/W) emulsions utilizing whey protein isolate (WPI)-xanthan (XG)- locust bean gum (LBG) complexes. The impact of salt content (0, 5 , and 50 mM NaCl) and pH (3 and 7) on the oxidative stability of oil droplets coated with WPI-XG, WPI-LBG and WPI-XG-LBG compexes was investigated. The oxidative stability of the fish oil droplets was tested by measuring primary oxidation (lipid hydroperoxide values (PV)), and secondary oxidation (thiobarbituric reactive substances (TBARS)) for 8-week period. At 0mM NaCl, XG-LBG containing emulsions had the lowest concentrations of PV at both pH values, meaning the XG-LBG emulsions without salt had the highest primary oxidative stability. All emulsions at pH 3 resulted in similar PV values for all salt concentrations, with no single gum type standing out amongst the others. At all salt concentrations at pH 7, the XG-LBG emulsions displayed the lowest TBARS values, but did not display higher oxidative stability than XG emulsions at pH 3. The XG emulsions at pH 3 had the lowest TBARS values at all salt concentrations. The enhanced oxidatived stability by the WPI-XG or WPI-XG-LBG complexes can be explained by the strong electrostatic interaction between the positively charged WPI-coated oil droplets and the negatively charged XG at pH 3. Based on the combined results from both PV and TBARS, emulsions constaing WPI-XG-LBG complexes had the highest oxidative stability of all emulsions. These results will aid the food industry in the delivery of omega-3 PUFAs into food products, allowing for healthier foods with more desirable structures and shelf life to be produced. AGFD 234 Fit-for-Purpose methods for mycotoxin analysis using LC-MS Kai Zhang, kai.zhang@fda.hhs.gov. Mailstop HFS-717, FDA, College Park, Maryland FDA laboratories have been using LC-UV/fluorescence methods to monitor regulated mycotoxins in foods. Each method can only analyze for a single or single-class of

mycotoxins. For suspected violations, an additional confirmation procedure using mass spectrometry (MS) is required. To gain additional information about the contamination of foods and feeds with multiple mycotoxins, this work aims to develop a single method to simultaneously monitor for multiple mycotoxins in food products. In recent years, we have conducted a series of single- and multi-laboratory method development and validation studies to evaluate the applicability of LC-MS-based methods to the determination of mycotoxins in foods. For single-laboratory validation, we have assessed the performance of sample preparation procedures (e.g., immunoaffinity clean-up, dilute-and-shoot) in a variety of matrices with LC-MS/MS and LC-HRMS detection. For multi-laboratory studies, the FDA has validated, in collaboration with U.S. state laboratories, a stable isotope dilution LC-MS/MS method that targets aflatoxins, deoxynivalenol, fumonisins, ochratoxin A, HT-2 toxin, T-2 toxin, and zearalenone in corn, peanut butter, and wheat flour. This newly validated method can identify and quantitate mycotoxins in different matrices using a single sample preparation procedure and LC-MS analysis. If used for routine regulatory monitoring and surveillance, this method could improve the efficiency of mycotoxin determinations. Future investigations include the evaluation of analytical standards (availability, stability, and traceability), automation of sample preparation, matrix effects, appropriate identification criteria, and harmonization of existing analytical procedures. AGFD 235 Thermal reactions and the formation of degradation products of T2 and HT2 toxin during processing of oats Henning Sören Schmidt, henning.schmidt@uni-muenster.de, Mareike Schulz, Stefanie Becker, Benedikt Cramer, Hans-Ulrich Humpf. Inst. of Food Chemistry, Westfälische Wilhelms-Universität Münster, Germany The fungal metabolites T-2 toxin (T2) and HT-2 toxin (HT2) are Fusarium mycotoxins belonging to the group of type A-trichothecenes and are among the most acute cytotoxic members of trichothecene mycotoxins. The main route of exposure for humans is the consumption of contaminated cereals and cereal products that undergo a series of physical and thermal treatments along the chain of food production. Extensive studies in the EU revealed that oats show the highest levels of T2 and HT2. Until today no maximum levels for T2 and HT2 have been set by the EU legislative authorities which is of concern due to their cytotoxic potential. One question coming more and more into the focus of researchers and food industry is the fate of mycotoxins during food processing. While physical treatments, e.g. cleaning and sorting usually result in toxin-removal, lowering of toxin levels during thermal treatments is caused by chemical degradation reactions. The elucidation of potential degradation products and their cytotoxic potential is crucial to distinguish whether these processing conditions contribute to a detoxification and therefore increased food safety or not. During our studies the processes of extrusion cooking, baking and roasting were simulated in laboratory scale in order to determine the degradation rates of T2 and HT2 in spiked and naturally contaminated oat samples. These experiments were assisted by model heating experiments to trace the reaction products of T2 and HT2 formed upon heat treatment by HPLC-MS/MS and HPLC-HRMS. The data of both experiments were combined to shed light on thermal degradation reactions of T2 and HT2 and their naturally occuring modified forms. Analysis of samples from industrial oat manufacturing was finally done in order to compare laboratory results with data from current processes. AGFD 236 Development of a single kernel assay for aflatoxin contamination in maize Darrell L. Sparks2,3, dls5@msstate.edu, Ashli E. Brown1,3, Cedric X. Reid2, Xueyan Shan2. (1) Mississippi State Univ., Mississippi State (2) College Ag Life Sciences, Mississippi State Univ., Mississippi State (3) Mississippi State

Chemical Laboratory, Mississippi State Aflatoxins are a highly toxic group of mycotoxins, which are secondary metabolites produced by fungi. In particular, aflatoxins are mainly produced by strains of Aspergillus flavus and Aspergillus parasiticus. These compounds have been shown to be very stable under most conditions during growth, harvest, processing, and storage of a variety of crops, including maize and peanuts. Moreover, aflatoxin levels may accumulate to dangerously high levels under suitable environmental conditions (i.e. heat stress, moisture deficit, and insect infestation). The Council of Agricultural Science and Technology has estimated that the US has an annual loss of almost a billion dollars due to crop damage from mycotoxins. An estimated $225 million of those losses are due to aflatoxin contamination in maize crops. Therefore, a study of the maize genome has increased in recent years in hopes to discover genes that are involved with aflatoxin resistance in corn. The DNA from a single corn kernel can be used to analyze the gene expression that occurs in Aspergillus flavus-inoculated maize. To compliment this procedure, aflatoxin analysis should be equally versatile. The goal of this research was to design an effective method for sample preparation and analysis of aflatoxin B1 from maize kernels infected with A. flavus. The method involves liquid extraction with a methanol/water solution. The samples were analyzed by liquid chromatography coupled to an electrospray ionization tandem mass spectrometer operating in positive ion multiple reaction monitoring (MRM) mode. The spiked levels for the recovery experiment were 4 ppb and 20 ppb, respectively. Recoveries ranged between 72% and 113%, with Relative Standard Deviation below 15%. AGFD 237 Identification and determination of potential migrants in food contact materials Rafael Paseiro Cerrato, Rafael.Cerrato@fda.hhs.gov, Luke K. Ackerman, Lowri Dejager, Timothy Begley. Analytical Chemistry, US-FDA Center for Food Safety & Applied Nutrition, Baltimore, Maryland Food contact materials (FCM) are widely used in the modern society. They can be manufacture with several types of products, being polymers one of the most common used ones. Depending on the conditions of use, polymers in contact with food may yield unreacted compounds (monomers, additives, non-intentionally added substances (NIAS)). The migration of these compounds is ruled by the Fick’s Laws. Identification of the potentials migrant has become a challenge for regulatory bodies, food industry as well as field laboratories, particularly for unexpected migration products such as degradation products, compounds formed due to side reactions during polymers processing, as well as reaction products formed from the reaction of the migrants and the food. Different identification strategies can be used for identification, including the use of liquid chromatography, gas chromatography, direct analysis in real time and FTIR among others. Once potential migrants have been identified, analytical methods can be developed for determination of the identified substances. The use of analytical standards facilitates the analysis and gives confidence in the method development. However, for most of the unexpected potential migrants, such as NIAS, available standards are usually not available. For the analysis of NIAS either synthesis of compounds or the use of proxies (standards that belong to the same family of the migrant) can be employed. For the selection of analysis of relevant NIAS, estimation of their toxicity is an important factor, and this can be achieved by using the Cramer rules. In this presentation, different analytical strategies for identification and analysis of migrants that may migrate from FCM (e.g. kitchen utensils, food cans, stickers for food contact applications) into food simulants and food are going to be presented and discussed. AGFD 238 Cabbage inhibits nitrate reduction in other vegetables Jinming Huang, huang@uamont.edu. Sch of Math and Sci, Univ of Arkansas at Monticello Nitrite and nitrate are the major oxidative

products of nitric oxide (NO). However, in recent years, it was reported that dietary nitrate can reduce blood pressure in healthy volunteers. Further study showed that drinking nitrate rich beetroot juice could significantly reduce blood pressure. It was also reported that drinking nitrate rich beetroot juice could increase blood flow to the brain in old adults. All these physiological functions were attributed to nitrate in beetroot juice being reduced to nitrite by bacterial present in tongue and saliva and then further reduced to NO under hypoxic or acidic condition in stomach. NO has numerous important functions in mammalian systems especially in maintaining normal blood flow and arterial pressure. Our research results showed that nitrate concentration in fresh home-made iceberg, celery, and beetroot juice decreases quickly during storage for a week in a refrigerator at 4 oC, while nitrite concentration increases 1000 ~ 2000 fold during storage. However, no changes in nitrate and nitrite concentrations were observed in home-made cabbage juice (green or red cabbage) during storage. More interestingly, we discovered that green or red cabbage can completely inhibits nitrate reduction and nitrite formation in iceberg juice, celery juice, and beetroot juice during storage. However, if cabbage juice was boiled 5 minutes prior mixing with other vegetable juices then no inhibition effect on nitrate reduction and nitrite formation was observed. Boiling experiment suggests that cabbage contains an inhibitor of nitrate reductase, when this inhibitor was inactivated by boiling 5 minutes then no inhibition effect observed. Vegetable juices containing high level nitrate but can be reduced to nitrite during storage may not be good functional drink with regard to lowering blood pressure, because nitrate may already be reduced to nitrite and further reduced to ammonium during storage; while those vegetable juices containing high level nitrate and cannot be reduced to nitrite during storage will be powerful functional drink with regard to lowering high blood pressure. Our finding that cabbage juice inhibits this reduction may provide useful information in storage procedures. AGFD 239 Cholesterol-lowering activity of short-chain fatty acids in hypercholesterolemia hamsters Yimin Zhao, yimin_zhao@outlook.com, Zhen-Yu Chen. The Chinese Univ. of Hong Kong Short-chain fatty acids (SCFAs) are the end products of colonic and cecal fermentation of dietary fiber with acetate, propionate and butyrate being the most abundant. SCFAs have been suggested to be partially accountable for the health-beneficial effects of dietary fiber. Previous researchers have shown that dietary SCFAs can lower blood cholesterol concentration in rats. However, the underlying mechanism remains elusive. It is also unknown which short chain fatty acids are responsible for the cholesterol-lowering activity of dietary fiber. In the present study, five groups of male golden Syrian hamsters were fed a high cholesterol diet (HC, 0.2 % cholesterol added) or one of the four HC diets containing 0.5 mol kg-1 diet of acetic, propionic, butyric, and valeric acids, respectively. After 6-week intervention, it was observed that dietary acetic, propionic, and butyric acids but not valeric acid could significantly reduce plasma total cholesterol and non-high density lipoprotein cholesterol. Acetate, propionate, and butyrate could also significantly increase fecal excretion of bile acids. Real-time PCR analysis demonstrated that dietary acetate, propionate, and butyrate up-regulated hepatic mRNA expression of sterol regulatory element binding protein (SREBP)-2, LDL receptor (LDLR), lipoprotein lipase (LPL), and down-regulated hepatic SREBP1c mRNA expression. Besides, propionate supplementation led to a higher hepatic expression of mRNA cholesterol-7a-hydroxylase (CYP7A1) while dietary acetate down-regulated the production of mRNA fatty acid synthase (FAS). All four SCFAs did not markedly affect the abundance of intestinal mRNA involved in cholesterol absorption such as Niemann-Pick C1 like 1 (NPC1L1). It was concluded that SCFAs with carbon number 4 or less were hypocholesterolemic. The

future research aims to elucidate the mechanisms by which dietary SCFAs could improve cholesterol homeostasis. AGFD 240 Cholesterol analogs with a branched side chain but not a straight chain possess a cholesterol-lowering activity Hanyue ZHU, zhuhanyue29@gmail.com, Zhen-Yu Chen. The Chinese Univ. of Hong Kong, China Hypercholesterolemia is one of the major proven risk factors for coronary heart disease (CHD). The present study was conducted to test the effects of β-sitosterol (SI) and three cholesterol analogs on plasma total cholesterol (TC) in hamsters fed a high cholesterol diet. The cholesterol analogs used includes CA0 (no side chain), CA3 ( a side chain of 3 carbons) and CA15 (a side chain of 15 carbons). CA3 and CA15 are straight side chain analogs of cholesterol while SI is an analog of cholesterol having an additional ethyl group on the side chain. Results showed that SI at a dose of 0.15% could effectively reduce plasma TC by 17.7%. SI was not detected in both plasma and liver of the hamsters, indicating that it was poorly absorbed in the intestine. All three analogs, CA0, CA3 and CA15, had no effect on the plasma TC. CA3 and CA14 were found to be accumulated in both plasma and liver, proving that they were well absorbed in the intestine. In conclusion, the study illustrated that analogs having branched side chains possessed plasma TC-lowering activity, while analogs with a straight side chain had no plasma TC-lowering activity. AGFD 241 Flame retardant 2,2′,4,4′-Tetrabromodiphenyl ether enhances the expression of corticotropin-releasing hormone in the placental cell model JEG-3 Yan Qin Tan, yan1130queen@gmail.com. Life Sciences, The Chinese Univ. of Hong Kong, New Territories Polybrominated diphenyl ethers (PBDEs) are chemicals used as flame retardants in household products. After disposing of these items, PBDEs leach from the products by surface water. BDE-47 is a PBDE congener commonly isolated from contaminated food and is the most studied isomer. The placenta is the major source of hormones during pregnancy, and an elevated level of corticotrophin-releasing hormone (CRH) is associated with premature delivery. In the present study, we examined changes in the placental CRH expression under BDE-47 exposure in the JEG-3 cell model system. These placental cells are derived from human choriocarcinoma. Our result showed that this pollutant induced the CRH mRNA expression at 0.5 nM or above in the cells. A similar trend was observed when CRH peptide was determined by Western analysis in the cell lysates. As previous studies have shown the importance of signal transduction pathways in the gene regulation, the status of some protein kinases in the present study was investigated. The phosphorylated PKCα, JNK, and P38 were increased by the toxicant treatment, and administering the specific inhibitors could counteract the induced CRH expression. It appeared that the signaling transduction pathway of PKC was a significant contributor in the transcriptional regulation. Further study by using Electrophoretic Mobility Shift Assay suggested that AP-2 was the ultimate DNA-binding element for the initiation of gene transcription. Because an untimely increased CRH may compromise fetal development and induce preterm birth, the present study suggested that endocrine changes in pregnancy should be taken into consideration in the next assessment. AGFD 242 Resveratrol and piceatannol inhibit alpha-glucosidase in mice Albert J. Zhang1, Agnes M. Rimando2, agnes.rimando@ars.usda.gov, Cassia S. Mizuno3, Suresh Mathews4. (1) Texas A&M Univ., Rangel College of Pharmacy, Kingsville (2) USDA ARS, Univ., Mississippi (3) The Univ. of New England in Maine, Dept. of Pharmaceutical Sciences, Portland (4) Samford Univ., School of Public Health, Birmingham, Alabama We earlier investigated the effect of stilbenes on the activity of α-glucosidase, a target of some anti-diabetic medications, in in vitro assays. Of the 31

natural and synthetic analogs tested, resveratrol and piceatannol showed significant inhibition of rat intestinal α-glucosidase activity in vitro. Both compounds were further investigated for their ability to inhibit α-glucosidase in mice. Four week old male C57Bl/6 mice were fed a high-fat diet (45% kcals from fat) for 8 weeks. Mice (n=10/group) were administered resveratrol (30 mg/kg) or piceatannol (14 mg/kg), 60 min prior to an oral gavage of sucrose (4 g/kg) or starch (3 g/kg) or glucose (2 g/kg). Control animals received water. Acarbose (5 mg/kg), an inhibitor of α-glucosidase and an antidiabetic drug, was used as positive control. Blood samples were taken at -60, 0, 15, 30, 60, and 120 min to assay for postprandial glucose concentrations. The animals had significantly elevated fasting blood glucose levels (169.4 ± 14.8 mg/dl) after 8 weeks on a high-fat diet, compared to mice fed regular chow (132.8 ± 6.9 mg/dl). Mice administered resveratrol or piceatannol prior to sucrose- or starch-loading showed significantly lower AUCGlucose compared to control animals, and were similar to those in the acarbose group. In mice subjected to glucose-loading, there was no significant difference between AUCGlucose of the glucose and the resveratrol animals. A decreasing trend in AUCGlucose was observed for the piceatannol group, although not statistically significant compared to the glucose-loaded group (p = 0.109). These results suggest that the hypoglycemic effect of resveratrol or piceatannol was primarily dependent on α-glucosidase inhibitory effect following an oral carbohydrate load. Our findings in vivo are consistent with our in vitro results. AGFD 243 Oral delivery of phytochemicals by edible nanoencapsulation vehicles Jie Xiao1,2, xiaojieacademic@gmail.com. (1) South China Agriculture Univ., Guangzhou (2) Rutgers, The State Univ. of New Jersey, New Brunswick Nanoencapsulation vehicles fabricated with food-grade materials and designed for the delivery of phytochemicals have gained increasing research interest. The major driving force for this trend is the potential bioavailability enhancement of phytochemicals when delivered via edible encapsulation vehicles (ENVs). Essential basic knowledge regarding phytochemicals with an emphasis on their absorption barriers after oral intake are presented in the first place. Then, factors contributing to bioefficacy enhancement effects of ENVs on phytochemicals are highlighted. Particularly, how particle size, surface properties, matrix materials and compartment structure associated with ENVs exert impacts on 1) dispersion and gastrointestinal stability; 2) digestion and release profile; 3) transportation across endothelial layer to systemic circulation; 4) systemic circulation and tissue distribution; 5) microflora metabolism process of phytochemicals are discussed in detail. Finally, challenges of current research methodologies and exciting trends for future researches are proposed. AGFD 244 Identification of Interleukin 8-reducing lead compounds based on SAR studies on food-derived dihydrochalcones and related compounds in human gingival fibroblasts Katharina Schueller2, Joachim Hans1, Stefanie Pfeiffer2, Jessica Walker2, Jakob P. Ley1, Veronika Somoza2, veronika.somoza@univie.ac.at. (1) Symrise AG, Holzminden, Germany (2) Nutritional and Physiological Chemistry, Univ. of Vienna, Austria Periodontal diseases are a significant health problem with a high incidence worldwide, and have a major impact on the quality of life. The first stage in the development of periodontitis is gingivitis, which starts with a reversible inflammatory immune reaction to oral plaque bacteria. If untreated, the persisting immune reaction can promote alveolar bone and tooth loss. In order to identify potential compounds against periodontitis, 18 dihydrochalcones, and structurally related compounds were tested in a biological in vitro cell model of human gingival fibroblasts (HGF-1 cells) of periodontal inflammation. HGF-1 cells were co-incubated with bacterial endotoxin and the

dihydrochalcones in a concentration range of 1 to 100 µM, and interleukin 8 (IL-8) release was determined by ELISA. Structure-activity analysis based on the dihydrochalcone backbone and various substitution patterns at its aromatic moieties revealed hesperetin dihydrochalcone found, e.g. in lemon and used as a sweetening food additive, to be the most effective. In general, a 2,4,6-trihydroxy substitution on the A-ring and a concomitant vanilloyl (4-hydroxy-3-methoxy) pattern on the B-ring were shown to be preferable for IL-8 release inhibition. In addition, an isoelectric exchange of a methylene by an amino group led to increased activity. Our data can be used for further design of lead structures for the development of potent food-derived anti-inflammatory additives in oral care products. AGFD 245 Identification of amino acid structural determinants for activating mechanisms of gastric acid secretion Verena Stoeger2, verena.stoeger@univie.ac.at, Kathrin Liszt2, Barbara Lieder2, Muhammet Zopun2, Martin Wendelin1, Joachim Hans1, Jakob P. Ley1, Gerhard E. Krammer1, Veronika Somoza2. (1) Symrise AG, Holzminden, Germany (2) Nutritional and Physiological Chemistry, Univ. of Vienna, Austria The taste of D- (sweet) and L- (bitter) forms of amino acids (AAs) has been widely studied. Recently, we demonstrated that the bitter-tasting compound caffeine activates mechanisms of gastric acid secretion (GAS) in parietal cells in culture (HGT-1 cells) via activation of bitter taste receptors (TAS2Rs). Although the stimulating effect of protein on GAS is well-known, very little information on the structural determinants of GAS- stimulating AAs exists. So far, a GAS stimulatory effect has only been described for the aromatic AAs L-tryptophan and L-phenylalanine. Here, we aimed to elucidate whether (i) the bitter or sweet taste of an AA is associated with its GAS stimulating activity and whether (ii) this effect is determined by a characteristic structural element. AAs (5-50 mM) were screened for their effects on proton secretion in HGT-1 cells as outcome measure of GAS by means of a pH-sensitive dye. With this method, the intracellular proton concentration is calculated as a ratio of treated / non-treated cells (intracellular proton index = IPX). The lower the IPX, the more protons are secreted. Sensory bitter and sweet profiling of AA was performed by 18 method-trained panellists. These results and the structural determinants hydrophobicity, molecular weight, and enantiomeric form were subjected to Pearson Product Moment Correlation and One Way ANOVA tests to identify statistical differences. AA differently affected proton secretion in HGT-1 cells, with 50 mM L-arginine (IPX -2.71 ± 0.11, ranked bitterest) showing the strongest, and 50 mM D-tryptophan (IPX -0.04 ± 0.04, ranked sweetest) the weakest effect. Pearson correlation coefficients demonstrated a strong association between the bitter sensation (r = -0.459; p<0.05) and the enantiomeric L-form (r = -0.654; p<0.05) of an AA and its effect on GAS. No statistically relevant correlation was found for sweet sensation nor the structural determinants molecular weight and hydrophobicity. We demonstrate that the sensory bitter intensity of an AA is associated with its effects on cellular mechanisms of GAS as one of the major factors regulating protein digestibility. Future studies need to elucidate the molecular mechanisms through which AAs act as agonists of bitter taste receptors, thereby activating GAS. AGFD 246 Structural determinants of fatty acid uptake inhibition in differentiated Caco-2 cells Barbara Lieder1,2, barbara.lieder@univie.ac.at, Joachim Hans2, Katrin Geissler2, Fabia Hentschel2, Jakob P. Ley2. (1) Dept. of Nutritional and Physiological Chemistry, Univ. of Vienna, Austria (2) Flavors-Research & Tech., Ingredient Research, Symrise AG, Holzminden, Germany With raising prevalence of obesity, the regulation of human body fat is increasingly relevant. The modulation of fatty acid uptake presents a promising target for body weight maintenance. Recent results demonstrated that the trigeminal active compounds capsaicin,

nonivamide and trans-pellitorine, but not vanillin, dose-dependently reduce fatty acid uptake in differentiated Caco-2 cells as a model for the intestinal barrier. However, structural determinants for the modulation of intestinal fatty acid uptake have not been identified so far. Thus, based on the previous results, we screened 66 structural analogues of capsaicin, nonivamide and trans-pellitorine regarding their impact on intestinal fatty acid uptake using fluorescent Bodipy-C12 analogues and analyzed the structure-activity relationship. Beside the chain length of the fatty acid side chain (A), the presence of an amide or ester bond (B) as well as the presence of a catechol/ vanilliod ring in comparison to a linear structure element (C) was investigated. In brief, we found that for the structural element (A) a chain length < C12 with a branched chain is favorable and, in case of unsaturation of the fatty acid chain, cis- configuration is preferred over trans-configuration. A direct comparison of compounds that differ in the amide or ester bond only (structural element B), revealed a greater activity for amides, although several some esters demonstrated a noteworthy effect as well. For structural element (C), a vanillyl-group seems to be favorable. In summary, we identified structural motifs of capsaicin-analogues that may contribute to a reduced intestinal fatty acid uptake. The results may be helpful for designing potent compounds for body weight management. AGFD 247 withdrawn AGFD 248 In Situ and real-time monitoring of pesticide translocation and persistence in tomato plants by surface enhanced Raman spectroscopy Tianxi Yang, Lili He, lilihe@foodsci.umass.edu. Food Sci., Univ. of Massachusetts-Amherst, Belchertown Understanding translocation and persistence of pesticides is significant for effectively applying pesticides and reducing pesticide exposures from plant food. Herein, we developed a novel method for real-time and in situ monitoring of pesticide translocation and persistence in tomato plants using surface enhanced Raman spectroscopy (SERS). Systemic pesticide thiabendazole of various concentrations was inoculated in a hydroponic system for growing tomato plants. At different time internals, tomato leaves were measured directly under a Raman microscope after dropping 5 µL of gold nanoparticles (50 nm, citrate coated, 250 ppm). The gold nanoparticles were able to penetrate into the leaves and interacted with the pesticide molecules. We detected the thiabendazole signal after 20 h exposure with 200 ppm thiabendazole in the hydroponic system, and the signal appeared firstly along the midvein in the lowest leaves. Translocation of the pesticide into the trichome was also detected. After 6 days exposure, we cannot detect the thiabendazole peak but a unique SERS peak at 737 cm-1 that may come from nicotinamide adenine dinucleotide (NAD) and other adenine-containing compounds as an indication of plant response to the pesticide toxicity. When 10 ppm thiabendazole was applied in the system, we detected the first signal after 5 days. The SERS method provides a rapid and effective way to study the behaviour and fate of pesticides in a plant system. The information obtained here could provide useful guidance for effective and safe applications of pesticides on plants. AGFD 249 Surface plasmon resonance imaging for label-free detection of foodborne pathogens and toxins Jing Chen, jing.chen@ars.usda.gov, Bosoon Park. USDA, ARS, Athens, Georgia More rapid and efficient detection methods for foodborne pathogenic bacteria and toxins are needed to address the long assay time and limitations in multiplex capacity. Surface plasmon resonance imaging (SPRi) is an emerging optical technique, which allows for rapid and label-free screening of multiple targets simultaneously. We have evaluated the potential of SPRi in label-free detection of Salmonella isolates and Shiga-toxins (Stx1, Stx2) produced by E. coli. Corresponding antibodies were attached to the gold sensor surface

through mercaptoundecanoic acid monolayer and carbodiimide crosslinking, and subsequently blocked with skim milk proteins. Target bacteria and toxins were detected based on SPR sensorgram analysis and difference images. Satisfactory ligand immobilization was achieved at higher antibody concentrations and neutral pH as opposed to acidic and alkali conditions. Polyclonal antibody was more efficiently immobilized compared to monoclonal antibody. Heat-lysed cells were found to generate higher SPR signals due to higher accessibility to the dielectric interface, but non-specific binding to the surface also increased. Nevertheless, blocking of the surface with skim milk solution was found to be effective against non-specific binding. In addition, glycine-HCl and NaOH were found suitable for removing protein and DNA residues from the cell debris. Overall, SPRi demonstrated potentials in sensing both whole pathogenic bacterial cells and their protein metabolites, which makes it a versatile tool in multiplex food safety detection. AGFD 250 Improving the robustness of plasmonic nanoparticles for sensing in complex media Amanda J. Haes, jha444@gmail.com. Chemistry, Univ. of Iowa, Iowa City Directly detecting low concentrations of small molecules in real samples is often limited by analyte concentration as well as similar chemical and physical properties of other species present in complex matrices. When bottom up synthesized nanoparticles are used for signal transduction, the physical stability and properties of the nanostructures must also be considered. Unfortunately, nanoparticle stability depends on the same parameters related to the analyte, often in opposing ways. Herein, the combination of experimental measurements that provide molecular-level insight coupled with semi-empirical modeling will be shown to improve the systematic use of plasmonic nanostructures as sensors in complex matrices by providing a method for predicting the stability and hence, the fate of nanomaterials in various conditions. By doing so, it will be demonstrated that reproducible detection of small molecules using localized surface plasmon resonance (LSPR) spectroscopy and surface enhanced Raman scattering (SERS) is possible. As such, the development of this novel sensing platform could result in an empowering technology that could be translated to improve health and safety. AGFD 251 Nanomaterials-based biosensor system for rapid detection of Salmonella Typhimurium in poultry supply chains Yanbin Li1, yanbinli@uark.edu, Jianhan Lin2, Jianping Wang3, Ming Liao4. (1) Univ. of Arkansas, Fayetteville (2) China Agricultural Univ., Beijing, (3) Zhejiang Univ., Hangzhou, China (4) South China Agricultural Univ., Guangzhou A portable optical biosensor was developed for in-field detection of Salmonella Typhimurium in poultry supply chains. Magnetic nanoparticles (100 nm) conjugated with specific antibodies were used in immunoseparation of target pathogens from complex matrices and quantum dots (emission wavelength of 620 nm) conjugated with specific aptamers were used to label target pathogens. A prototype of the biosensor system was designed and constructed as a semi-automated instrument with magnetic separation and fluorescent measurement controlled by a laptop with LabVIEW software. Different samples from a poultry supply chain, including feed, water and chickens on farm, chicken carcasses and processing water in a processing plant, and chicken products on supermarkets, were tested using the developed biosensor. The results indicated that the biosensor could detect Salmonella Typhimurium at concentrations from 102 to 106 cfu/ml within 1 h without pre-enrichment of samples. The nanomaterials-based biosensor showed great potentials for in-field rapid detection of Salmonella Typhimurium in poultry supply chains. It is being integrated with GPS, wireless and image processing to provide the food industry an innovative technology to monitor microbial contamination in a food supply chain for ensure food safety.

AGFD 252 Applications of near infrared fluorescent single walled carbon nanotube sensors to food and agriculture security Michael Strano, strano@mit.edu. Chem. Eng., 66-566, MIT, Cambridge, Massachusetts Semiconducting single walled carbon nanotubes exhibit near infrared fluorescent emission and form the basis for sensor transducers with detection limits down to single molecule sensitivity. This presentation will review several advances from my laboratory at MIT in the use of such sensor interfaces in food and agriculture monitoring. An enabling development has been a technique called Corona Phase Molecular Recognition or CoPhMoRE whereby synthetic, selective binding sites can be engineered directly onto the nanoparticle surface to enable a high level of molecular discrimination. Our recent work has interfaced such nanosensors to living plant systems directly including (Spinacia oleracea), demonstrating how the plant itself can provide valuable, self-powered preconcentration and autosampling of analytes in ambient groundwater. We have also used embedded nanoparticles as a conduit for infrared communication platforms that can allow sensor information to be sent efficiently to lost cost instrumentation such as a smartphone. Other applications include in-vivo and ex-vivo sensor platforms for monitoring heavy metal contamination, carbohydrates and small molecule organic species in complex media. Our lab at MIT is developing engineering approaches to high throughput, low cost instrumentation to analyze a broad panel of analytes. Nanosensor technology holds significant promise for developing a multiplexed sensor platform for food and water-borne contaminant and allergen detection, addressing applications in food supply chain and agricultural monitoring. AGFD 253 Active botulinum neurotoxin serotypes A and B detection and differentiation by FRET-based sensor Yun Wang3, yun.wang2@fda.hhs.gov, Harry C. Fry2, Igor Medintz1, Guy E. Skinner3, Kristin M. Schill3, Timothy V. Duncan3. (1) Center for Bio/Molecular Science and Eng., U.S. Naval Res. Lab., Washington, DC (2) Center for Nanoscale Materials, Argonne Nat’l Lab, Lemont, Illinois (3) Division of Food Processing Science and Tech., FDA, Bedford Park, Illinois Ingestion of food contaminated with biologically active botulinum neurotoxin (BoNT) results in foodborne botulism. A few nanograms of the toxin can elicit symptoms. The toxin, which acts as a zinc-dependent endoprotease, is one of the most potent toxins known to humans. The “gold standard” mouse bioassay is time consuming and poses ethical concerns over the use of laboratory animals. This highlights the need for rapid and sensitive methods to supplement the mouse bioassay. We developed a method based on Förster resonance energy transfer (FRET) to detect biologically active BoNT serotypes A and B which cause human botulism. A peptide containing a sequence of amino acid residues with an enzymatic cleavage site for the target BoNT serotype was labelled with a specific photoluminescent quencher (PLQ). A quantum dot (QD) was selected for each serotype detection based on its spectral overlap with the PLQ. By attaching the peptide to a QD through a terminal oligo-histidine region, QD photoluminescence was quenched. In the presence of biologically active BoNT, the specific peptide was cleaved and the quenching was removed, resulting in the recovery of QD photoluminescence. The detection capability of this sensor was demonstrated with BoNT/A and /B light chains (LcA and LcB), which are the catalytic domains of the toxin serotypes. LcA in buffer was detected in 3 h with a detection limit of 4 nM (10 ng per sample), and LcB was detected with a detection limit of 0.4 nM (1 ng per sample). Linear relationship was found between the QD photoluminescence recovery and LcA/LcB concentration. The specificity of the sensor toward each serotype was evaluated. The detection and differentiation of LcA and LcB in a mixed sample was also demonstrated. The sensor was further evaluated in food samples spiked with the detection

target. The performance of the sensor indicates its potential application as a rapid screening method for biologically active BoNT in foods. AGFD 254 Bionanotechnology.: Sensing from simple solutions to complex outcomes for food safety Suresh Neethirajan, sneethir@uoguelph.ca, Xuan Weng, Syed Ahmed, Jerry Jang. Univ. of Guelph, Ontario, Canada Globalization and ecological pressures have increased the emergence of novel infections and global pandemics in farmed animals and food industries. This means that not only are livestock at growing risk of contracting new and difficult-to-control diseases, but the people who care for them as well. The world has entered a “4th revolution” in agriculture. This era features novel technologies and diagnostic methods, such as Internet of Things and Precision Livestock Farming. In this talk, I will provide examples of the sensor platforms, the sensing mechanisms and the communication devices developed at the Bionanolab of the Univ. of Guelph. To name some, detection of sex hormone progesterone in milk using ELISA technique; Time resolved fluorescence resonance energy transfer based nanomaterials for detecting metabolic biomarkers from blood, serum and milk samples of dairy cows; in-situ synthesis of gold nanoparticles for rapid and multiplexed detection of food-borne and avian influenza viruses; and quantum dot based sensing of food allergens such as peanut, lupine, okadaic acid detection will be presented. The new frontier in biosensing that we develop in the advanced diagnostic technology development will be a breakthrough not only for on-farm diagnostic translation, but also on various product designs that may be of significance to biosecurity. The biosensing tools has the potential to collect, integrate, report, analyze, share and disseminate valuable information to livestock owners, farmers, producers and health inspection agency members and government veterinary services and inspection agencies by leveraging mobile technology (including Point-of-care (POC) testing, tele-diagnostics, and remote collection devices). AGFD 255 Analytical methods and data for the USDA food composition databases, and process for evaluating laboratory data quality Pamela Pehrsson, sushu1985@gmail.com. USDA ARS NEA BHNRC NDL, Beltsville, Maryland The accelerating pace of diet-health research and a dynamic US food supply require national food composition research move in new directions. The Nutrient Data Laboratory (NDL), USDA develops the National Nutrient Database for Standard Reference and related Special Interest Databases, providing data on about 8,300 foods and 150 nutrients/components. However, with tens of thousands of new foods entering the US food supply annually and many routinely reformulated, USDA must accelerate acquisition and dissemination of data for researchers, nutrition policy makers, food manufacturers and consumers. Basic research is underway or planned at NDL to incorporate new analytical methodologies and ensure data quality of certain food components of emerging public health importance. NDL collaborates to expand mean estimates and variability data for foods, nutrients and emerging nutrients, develop new technologies to maximize database usefulness and assess the most impactful changes in the food supply. Under the USDA-NIH National Food and Nutrient Analysis Program (NFNAP), over 2,100 foods have been added or updated with nationally representative analytical data, supporting component calculations for thousands of other foods. Recent projects include: 1) A comprehensive update to meat and poultry products and a new study of 25OHD3 in animal flesh; 2) expanded flavonoid and proanthocyanidin databases and new data for sulfa-containing compounds; 3) composition information on commercially processed foods and monitoring of voluntary sodium reductions by the food industry; 4) nutrients in foods consumed by specific subpopulations e.g., immigrants; 5) iodine analyses; 6) carbohydrate fractions

analyzed by new analytical methods in foods; and 7) foods consumed by infants and toddlers. Finally, innovative technologies are being applied to develop an ARS master food composition database system - ARSFooDS - which will include analytical data from SR, the new USDA Branded Food Products Database (manufacturer-contributed food labels), chemometric data and other related USDA consumption and composition databases. AGFD 256 New developments in the analyses of bioactive compounds in foods for developing special interest databases Xianli Wu, xianli.wu@ars.usda.gov, David Haytowitz, Pamela Pehrsson. Nutrient Data Laboratory, USDA ARS Human Nutrition Research Center, Beltsville, Maryland During recent decades, nutritional research and consumer interests have gradually shifted from addressing nutrition deficiencies to preventing chronic diseases. Dietary bioactive compounds may play a critical role in this area. As a major group of dietary phytochemicals, flavonoids are widely distributed in plant foods and have been shown to exert a wide range of bioactivities. Since 1999, USDA's Nutrient Data Lab (NDL) has developed three separate flavonoid databases (Flavonoids, Isoflavones and Proanthocyanidins), and they have been updated frequently. Originally, each of these databases contained only a limited number of foods, but they were expanded with each release. Quick and accurate analysis of certain flavonoids, such as proanthocyanidins and less common flavonoids, is still challenging for many reasons including limitation of instrumentation and availability of standards. To achieve good results, analytical procedures, from sample preparation to identification and quantification methods, must be carefully examined. NDL has recently constructed a new Expanded Flavonoids Database for approximately 2900 commonly consumed foods, using calculated values from analytical data. This database provides full profiles for 29 predominant dietary flavonoids for every food in the database. Glucosinolates are a group of important sulfur-containing compounds found in cruciferous vegetables. There is growing evidence suggesting that they could be the major cancer chemo-preventive agents in cruciferous vegetables. NDL is working on addressing some challenges in analyzing glucosinolates to develop a dietary glucosinolate database. The results are used to determine the quality of the data in the literature, and to support better experimental design in obtaining analytical data. Initially, a database will be developed from literature and will be rated using NDL's Data Quality Evaluation System. In addition, as many vegetables are consumed cooked, a study was designed to estimate retention factors for bioactive compounds in vegetables for common cooking methods. AGFD 257 Challenges in research on phytochemicals: Avoiding some potential pitfalls Barbara C. Sorkin1, sorkinb@mail.nih.gov, D. C. Hopp2. (1) ODS, NIH, North Bethesda, Maryland (2) NCCIH, NIH, Bethesda, Maryland Thousands of phytochemicals from food plants and botanical dietary supplements have been identified, but for most plants hypothesized to exert biological activities neither the active compound(s) nor the causal, molecular mechanisms mediating biological activity(ies) are definitively known. Increasingly, multiple phytochemicals appear to contribute to a given biological activity. Where neither the number nor identity(ies) of the active(s) are known, reproducibility requires the product be characterized as comprehensively as is feasible, rather than relying on a single marker compound. The chemical composition of a single plant species will be affected by many environmental factors, but the source species will constrain the chemistry. Authentication of the source plant identification is therefore critical. DNA barcoding has the potential to sensitively discriminate related species or similar-appearing plants, but has limited applicability. Generating strong, testable hypotheses regarding bioactive(s) and their mechanisms of action may be accelerated through the application of new approaches being

developed in the NIH-supported CARBON Centers to integrate mass-spectrometric, cell phenotype and omics data from complex botanical extracts. Preclinical research on phytochemicals reported to have pleiotropic effects on animals (including curcumin, epigallocatechin gallate and resveratrol) has largely failed to lead to predicted outcomes in rigorous clinical trials. Recent reports suggest a variety of non-ligand-receptor mechanisms, including fluorescence interference and colloid formation, through which curcumin may produce false-positives in high throughput assays and modulate many cellular functions in vitro, and describe methods to control for these mechanisms. Conclusion: Greater reproducibility in results from botanical products, and enhanced potential for such results to translate successfully to in vivo outcomes should be achievable by more comprehensive characterization of complex products, by considering biological relevance in the design of in vitro experiments, and by including appropriate controls to ensure early detection of effects from non-specific activities. AGFD 258 Analytically based estimates of ingredient content in dietary supplements: Dietary Supplement Ingredient Database, release 4 Karen Andrews, kwandrews@gmail.com. USDA, Beltsville, Maryland The dietary supplement industry has burgeoned into a 39 billion dollar industry as American consumers have increasingly chosen to take dietary supplements (DSs) for their perceived health benefits. Many of these supplements contribute nutrients and other bioactive components to the diet. However, the true content of ingredients may differ from the label claims. In order to more accurately estimate intakes due to the consumption of DSs, the Agricultural Research Service (ARS)/Nutrient Data Laboratory (NDL) and the National Inst.s of Health (NIH)/Office of Dietary Supplements (ODS) have been collaborating since 2004 to develop and maintain the Dietary Supplement Ingredient Database (DSID), an analytically validated database for high priority ingredients in DS products. The results of national nutritional surveys, and recent advances in sampling statistics, data evaluation methodology, and analytical methods are evaluated to identify, sample, and analyze selected DSs that represent the US market. Laboratories are pre-qualified for participation in DSID studies and methodologies are regularly re-evaluated to take into account new supplement matrices, new forms of ingredients and microencapsulation technologies. NDL monitors the accuracy and precision of measurements by incorporating certified reference materials, in-house control materials and product duplicates into analytical batches. Release 4 of the DSID (DSID-4) reports estimates of mean ingredient content with variability information for adult, children’s, and non-prescription prenatal multivitamin/mineral (MVM) products and omega-3 fatty acid supplements. For the first time, improved analytical methods for chromium and vitamins A and D provide data (mean overages of 20-40%) for these ingredients in adult MVMs. Green tea DSs were the first botanicals to be selected for study as part of the DSID botanical initiative and pilot study results for their phytochemical content are also reported in DSID-4. AGFD 259 Botanical initiative for the Dietary Supplement Ingredient Database (DSID): Interlaboratory trial to assess methods for catechins in green tea dietary supplements Sushma Savarala, Sushma617@gmail.com. USDA, Chantilly, Virginia According to national surveys, 7.5% of the US population reports using botanical dietary supplements (DSs), which may or may not be labeled for their bioactive content. As part of the Botanical initiative for the Dietary Supplement Ingredient Database (DSID), a pilot study of green tea (GT) DSs was designed to chemically evaluate their levels of flavan-3-ols or catechins, especially epigallocatechin gallate (EGCG). The goal was to evaluate analytical methods for individual catechins and examine the relationships between label claims and analytical results for EGCG and total catechins. Two lots of 32 DSs containing GT as

the only or primary botanical were purchased in various market channels and sent for analysis to three laboratories experienced with the analysis of GT. The laboratories used reversed-phase high-performance or ultra-high performance liquid chromatography with either ultraviolet absorbance or mass spectrometric detection. Quality control results from all three laboratories showed good agreement with certified values provided by several GT Standard Reference Materials. The analytical data revealed a wide range of levels for individual and total catechin content among the products tested. DSs providing label information for EGCG content had significantly higher EGCG content as compared to DSs without EGCG claims (298± 48 vs. 114 ± 26 mg/day; mean ± SE, n=18 and 14, respectively). As required by law, all analyzed DSs provided the weight of GT leaf/extract on the label. However, this information did not predict analytically determined phytochemical content. At the most common labeled level (500 mg of leaf/extract per serving), a wide range (0.5 – 309.5 mg/serving) of EGCG content was found (n=9). Statistical analysis did not indicate a laboratory effect on catechin measurements. Thus, methods utilized by two commercial and one Res. Lab. provided consistent results suitable for including in our analytical database. AGFD 260 NIST Tools for analysis of foods & dietary supplements: Ensuring quality in nutrient databases Melissa M. Phillips, melissa.phillips@nist.gov, Catherine Rimmer, Laura Wood. NIST, Gaithersburg, Maryland The quality of analytical data can be challenged by sample complexity, which leads to difficulties in extraction of the components from a matrix, isolation from other extractable components, and determination of the quantity of the components present. The National Inst. of Standards and Tech. (NIST) offers a variety of tools for evaluation of accuracy in food and dietary supplement analysis. NIST provides reference materials (RMs) in a variety of forms that can be used in method development, method validation, and quality control. RMs, in the form of calibration solutions, botanical raw materials, botanical extracts, and finished products, can be used to ensure accuracy in the determination of nutrients, botanical markers, and undesirable contaminants toward the goals of accurate labeling, product efficacy, and safety. Since the 1990s, NIST has offered matrix-based food RMs as tools for method development and validation, and currently available materials include peanut butter, meat homogenate, breakfast cereal, infant formula, egg powder, and baking chocolate, among others. Developed in collaboration with the National Inst.s of Health-Office of Dietary Supplements (NIH-ODS), dietary supplement RMs are currently available for Ginkgo biloba, green tea, Vaccinium berries, soy, St. John’s wort, fish oils, and multivitamin tablets, among others; many more RMs are in preparation. NIST and NIH also coordinate the Dietary Supplements Laboratory Quality Assurance Program (DSQAP), which has been assisting laboratories in making better measurements since 2007. In this free program, registered laboratories test food and dietary supplement samples and submit results in exchange for information about their performance relative to other participating laboratories as well as relative to the “true” composition of the sample. The DSQAP is an interactive program in which NIST provides feedback regarding potential sources of bias with the goal of improving laboratory performance. Collectively, these tools are intended to assist manufacturers interested in product quality, laboratories establishing the appropriateness of analytical methods, and clinicians performing efficacy studies to accurately evaluate the content of a food or agro 1 dietary supplement product. Improved chemical characterization of foods and supplements translates directly to improved accuracy in databases for the composition of foods and dietary supplements. AGFD 261 Study starch content and a variety of physical characteristics of rice (Oryza sativa L.) Karzan A. Omer,

karzan.abdulkareem@koyaUniv..org. Chemistry, Koya Univ., Erbil, Iraq Rice becomes one of the main nutritional foods widely consumed by people in the worldwide. The physical characteristics of rice are fundamental in designing appropriate equipment for process operations such as designing storage structures, handling, sorting, transporting in food processing industry based on their physical properties. Also, Starch is one of the major components of rice and, the quality of rice depends on the physical properties and starch contain up to a great extent. Therefore, in this research, the Physical characteristics and starch contain some rice (Oryza sativa L.) Samples have been studied. The starch content of rice samples was observed in the range of 81.23-88.85%. The physical properties such as length, width, thickness, equivalent diameter, surface area, sphericity, aspect ratio, volume, bulk density, true density, porosity, and thousand kernel weights were studied for five different rice samples. There were significant differences in their physical characteristics among the examined rice samples. Therefore, these data could be very useful for resolving some problems associated with the design, development, and analysis of the behavior of products during post-harvest processing. AGFD 262 Novel swollenin from Talaromyces leycettanus JCM12802 with broad substrate specificity and synergistic action with a cellulase on avicel degradation Yuan Wang, wangyuan08@caas.cn, Fei Zheng, Tao Tu, Huiying Luo. Key Laboratory for Feed Biotechnology of the Ministry of Agriculture, Feed Research Inst., Chinese Academy of Agricultural Sciences, Beijing, China Conversion of the crystalline regions of native cellulose into amorphous and accessible regions is a critical step, and is a great challenge for efficient hydrolysis of lignocelluloses. Fungal swollenin, which can disrupt avicel, have great potential for applications in conversion of biomass, food and animal feed industries. A novel swollenin gene, swo, was isolated from the thermophilic fungus Talaromyces leycettanus JCM12802 and successfully expressed in Pichia pastoris. The purified recombinant TlSWO was optimally active at 50 °C and pH 3.0, and exhibited excellent stability over a broad pH range of 2.0–9.0 (exhibiting over 80% maximum activity after incubated at 37°C for 1 h), and was highly thermostable at 60°C and below. The TlSWO was highly active towards laminarin, CMC-Na, barley β-glucan, glucomannan and lichen polysaccharide. The main products degraded by TlSWO from cellotetraose, cellopentaose and cellohexose were cellobiose and cellotriose, orcellobiose, cellotriose and cellotetraose, respectively. TlSWO and cellulase from Novozymes showed significant synergistic effects on the degradation of avicel, releasing more reduced sugars (up to 0.26 folds) by simultaneous addition. This study providesa novel fungal swollenin with broad substrate specificity for synergistic degradation for the efficient hydrolysis of plant biomass. AGFD 263 Isomelezitose production from sucrose via glucansucrases Gregory L. Cote, greg.cote@ars.usda.gov, Christopher D. Skory. USDA ARS, Peoria, Illinois Isomelezitose is an unusual trisaccharide with the structure α-D-glucopyranosyl (1→6) β-D-fructofuranosyl (2↔1) α-D-glucopyranoside. Similar to melezitose, it may have applications in cryopreservation of cells and organs. We recently found that most glucansucrases, which produce dextran and related polymers of glucose via transfer from sucrose, also produce trace amounts of isomelezitose. Yields are typically very low, but significant, ranging from less than 1% to approximately 5% based on sucrose. This trisaccharide may arise in either of two ways: glucopyranosyl transfer to the 6Fru-OH position of sucrose, or to the anomeric –OH position of isomaltulose, a glucansucrase byproduct from transglucosylation of fructose. Based on experiments with exogenously added isomaltulose, we will present evidence that the former mechanism is the most likely. These results may explain

some earlier reports that dextran molecules are terminated or “capped” by a sucrose molecule. AGFD 264 Sensory and chemical characterization of Cabernet Sauvignon wines from Chinese Loess Plateau Ke Tang, tandy81@126.com, Yue Ma, Yan Xu. Jiangnan Univ., Wuxi, China In this study the aroma properties of Cabernet Sauvignon wines from a new grape growing region, Chinese Loess Plateau, were studied by correlating data on the volatile composition with sensory evaluations. Five vineyards (SLP, TYP, NT, DA and DST) with different altitudes and slope directions in this area were investigated. Ten aromatic descriptors were identified as sensory characteristics. The wine samples were evaluated in parallel by descriptive sensory analysis by a trained panel. A total of 76 odorants in Loess Plateau Cabernet Sauvignon wines were perceived by Gas-chromatography–olfactometry (GC-O). 45 volatile compounds were further selected as the important aroma impact components and quantitated by five different methods. PLSR established correlations between the chemical and the sensory profiles of the wines. The correlation model of Chinese Loess plateau Cabernet Sauvignon wines region, sensory characteristic and aroma compounds was established to determine the influence of various aroma active substances on aroma attributes. This study could define the aroma characteristics of Chinese Loess Plateau Cabernet Sauvignon wines. AGFD 265 Effect of mixing intensity on hydrolysis of rice straw and its consequence on methane production in anaerobic digestion Moonkyung Kim, strikingirl@snu.ac.kr, Byung-Chul Kim, Yongju Choi, Kyoungphile Nam. Seoul National Univ. Civil Environ Eng, Seoul, Korea (the Republic of) Immense amount of rice straw is generated every year in Korea, however, only 37.6% of produced rice straw can be recycled, indicating 62.4% of produced rice straw (3,762,000 ton/year) is regarded as waste, despite its potential for the conversion into other energy resources. In this study, rice straw was selected as substrate for anaerobic digestion, and valorized for the production of renewable energy as methane. Mixing intensity is known to be an important factor in the performance of anaerobic digestion process due to its effect on settlability of sludge.This study investigated the improvement of methane production by applying various mixing intensity to batch test and semi-continuous reactor using rice straw as substrate in order to investigate the effects of mixing intensity on hydrolysis of rice straw and consequently, methane production. Extracted extracellular polymeric substances (EPS) content and the result of particle size distribution curve were found to be negatively correlated with intermittent mixing samples. The maximum value of EPS amount were found in once a week mixing conditions in batch test as 261.1±1.7 mg TOC/g SS representing 63% higher than the minimum value analyzed from 300 rpm sample for EPS content. The positive correlation of development of substrae-microbe aggregates and methane production were determined by the produced methane amount of 373.0±4.05 mL and 232.5±2.1 CH4/g TC from the once a week and 300 rpm sample, respectively. Similar tendency was observed with semi-continuous reactor results, extracted EPS content of 50 rpm with occasional 150 rpm mixing Reactor dropped from 259.2 to 158.6 mg TOC/g SS, in occasional 150 rpm mixing condition, and recovered up to 254.8, after mixing intensity retrieved to 50 rpm. The maximum content of produced methane was achieved as 53 – 55% in No mixing Reactor (semi-continuous reactor), indicating mixing might have the adverse effect on the development of substrate-microbe aggregate which can lead to the diminution of methane production in anaerobic digestion of rice straw. AGFD 266 Effect of caffeine concentration on the break-down of starch into sugars by α-amylase Neel Rajan, Stephen Koellner, Vincent T. Calabrese, Arshad Khan, kub@psu.edu. Chemistry,

Pennsylvania State, State College α-Amylase, an enzyme present in our saliva and pancreatic secretion, is responsible for the break-down of starch into glucose molecules. Glucose enters into our blood steam and provides energy for various activities. In this study we have noticed that in the presence of caffeine, the enzyme activity is decreased with a decrease in the amount of glucose liberated from the starch hydrolysis. This finding may suggest a positive role played by caffeine in the controlling of blood sugar. A possible explanation of enzyme inactivation by caffeine will be discussed in terms of a two-step model that we proposed earlier. AGFD 267 Tuning of complex natural products’ properties used in flavors and fragrances by enzymatic treatment Helene Bouges, helene.bouges@gmail.com, Sylvain Antoniotti. Univ. of Cote d'Azur, CNRS, ICN, Nice, France Natural complex substances are mixtures of ubiquitous saturated and unsaturated hydrocarbons, alcohols, aldehydes, esters, ethers, ketones belonging to the phenolics and terpenes families which give them various properties. If some of these may be desirable such as a pleasant odor, as well as antioxidants or relaxing effects, other such as toxicity and dermal sensitization have to be considered and avoided. In this context, our laboratory focuses on the optimization of the properties of essential oils and extracts used in the field of flavors and fragrances by green and sustainable treatments. The main purpose is to tune biological and sensory properties of natural raw materials by enzymatic methods. To achieve these goals, highly selective and substrate specific processes are developed. They allow us to modify the chemical composition of mixtures with an excellent sustainability profile and low energy consumption achieving both specificity and selectivity. In consequence, this project is embedded in the general and challenging concept of “green chemistry”. Such trends are of interest for the field of flavors and fragrances due to the additional advantage of providing products eligible to the valuable “natural” grade. As an example of the strategies, we developed, toxic compounds could be removed without a loss of the organoleptic properties and with a good preservation of the chemical composition. Alternatively, the olfactory quality of essential oils could be improved by enzymatic modifications of some of their constituents. From a technical point of view, the qualitative and quantitative evaluation of chemical composition of natural complex substances is elucidated on the basis of high performance liquid chromatography, gas chromatography and mass spectrometry studies. Through an academic/industrial collaboration, the organoleptic evaluation of the products is provided by experts in the field. AGFD 268 Probing the role of cation-π interaction in the thermotolerance and catalytic performance of endo-polygalacturonases Tao Tu, tutao@caas.cn, Yeqing Li, Yuan Wang, Bin Yao, Huiying Luo. Key Laboratory for Feed Biotechnology of the Ministry of Agriculture, Feed Research Inst., Chinese Academy of Agricultural Sciences, Beijing, China Polygalacturonases are the most well-studied pectinases that catalyze the hydrolysis of the α-1,4-glycosidic bonds between the polygalacturonic acid at the smooth pectin regions, and thus are often preferred for technical applications, such as in fruit juice, feed, paper, and textile industries, as well as for the extraction of oils. Full understanding the dynamics of this key pectinase and improving its thermotolerance and catalytic efficiency is a key towards the engineering of new polygalacturonases for various applications. By combining structure analysis and molecular dynamics (MD) simulations, eight mutagenesis sites involved in the formation of cation-π interactions were identified in the widely used fungal endo-polygalacturonase PG63. In comparison with wild-type, three single mutants H58Y, T71Y and T304Y showed the most pronounced shifts in temperature of maximum enzymatic activity, temperature at which 50% of the maximal activity of an enzyme is retained, and melting temperature, of about 10–15°C, 3–16°C, and

0.6-3.9°C upward, respectively, with the half-life extended by 10–45 min at 55°C. Another distinguishing characteristic of the three mutants were its catalytic activity by improved up to 32-fold. Hydrolysis product analysis indicated that a larger amount of shorter sugars were released from the polygalacturonic acid by these three mutants than by the wild-type. MD analysis of the enzyme-substrate complexes suggested that the introduced cation-π interaction have modified the conformation of the catalytic crevice and provided an enviable environment for catalytic processes. Moreover, the lower plasticity of T3 loop 2 at the edge of the subsite tunnel appears to recruit the reducing ends of oligogalacturonide into the active site tunnel and initiates new hydrolysis reactions for enhancing the efficiency of substrate degradation. This study reveals the significance of cation-π interaction in protein conformation and provides a realistic strategy to enhance the catalytic performance of proteins. AGFD 269 Development of a green alternative procedure for simultaneous separation and quantification of phytochemicals Yu-Chiao Yang1,2, ycyang230@gmail.com, Show-Jen Hong2, Da-Hsiang Wei2, Pei-Hui Lin1, Ming-Chi Wei3. (1) Kaohsiung Medical Univ., Kaohsiung, Taiwan (2) Dept. of Surgery, Davis Heart and Lung Research Inst., The Ohio State Univ., Columbus (3) Dept. of Applied Geoinformatics, Chia Nan Univ. of Pharmacy and Science, Tainan, Taiwan Perilla frutescens leaves is valuable as a medicinal plant as well as a natural medicine and functional food. Perilla leaves are an important source of essential oils and had antidepressive, anxiolytic, chemopreventive and strong antitumor-promoting activities. Four different isolation techniques, specifically ultrasound-assisted supercritical carbon dioxide (USC-CO2) extraction, heat-reflux extraction (HRE), conventional supercritical carbon dioxide (SC-CO2) extraction and hydrodistillation (HD) were employed to obtain essential oils from purple-leafed of Perilla frutescens. The essential oils were further analyzed using gas chromatography (GC) with flame ionization detection and gas chromatography with mass spectrometry (GC-MS). The maximum yield of oil was extracted via USC-CO2 extraction (1.92%, weight of the extracted oil/weight of feeding material) while utilizing less severe operating parameters, such as temperature (48 °C), pressure (25 MPa), organic solvent (0 mL) and the time consumed (85 min) by the process. The results revealed that the dominant component was perillaldehyde (>25%) in total average content. AGFD 270 Ultra-sensitive enzyme immunoassays for the determination of imidaclothiz using phage-displayed peptide yuan ding1, 2015202046@njau.edu.cn, Xiude Hua2, huaxiude@njau.edu.cn. (1) pesticide, Nanjing, China (2) Nanjing Agricultural Univ., Nanjing, China Six phage-displayed peptides that specifically bind to anti-imidaclothiz monoclonal antibody (mAb) were obtained by biopanning the phage-displayed peptide libraries. A phage enzyme linked immunosorbent assay (P-ELISA) and a phage chemiluminescent enzyme immunoassay (P-CLEIA) for imidaclothiz were developed by using a clone L4-29. The optimal buffers of P-ELISA and P-CLEIA were pH 8, PBS buffer containing 0.14 M NaCl and 2.5% methanol. Under the optimal conditions, the half maximal inhibition concentration (IC50) values, limit of detection (LOD, IC10 values) and linear range (IC10 to IC90) of the P-ELISA were 1.45, 0.55 and 0.55 to 3.82 ng mL-1, while the P-CLEIA were 0.86, 0.13 and 0.13 to 5.84 ng mL-1, respectively. The sensitivities of P-ELISA and P-CLEIA were improved more than 60-fold and 100-fold respectively than the conventional ELISA. The P-CLEIA showed higher sensitivity and wider linear range than P-ELISA. Two analyses had no significant cross-reactivity with the analogues of imidaclothiz except for imidacloprid. Recoveries of the P-ELISA and P-CLEIA for imidaclothiz in paddy water, soil, cabbage, rice, apple, pakchoi, pear and tomato samples were 72.3-

101.3% and 73.9-102.6%, respectively. The amounts of imidaclothiz in the containing incurred residues samples detected by the P-ELISA and P-CLEIA were significantly correlated with that detected by high-performance liquid chromatography (HPLC). AGFD 271 Three dimensional plasmonic hot spot for label-free sensing of food toxin Paresh C. Ray1, paresh10027@yahoo.com, Stacy J. Jones2, Avijit Pramanik3. (1) Jackson State Univ., Jackson, Mississippi (2) Chemistry and Biochemistry, Jackson State Univ., Jackson, Mississippi (3) Dept of Chemistry, Jackson State Univ., Jackson, Mississippi Drug resistant food toxin infection is one of topmost threats to human health for our society. Plasmonic nanoparticles can be used for ultrasensitive bio-sensing through the amplification of electromagnetic fields at nanoscale “hot spots”. One of the main challenges in plasmonic sensing is the designing of plasmonic substrate with large number of “hot spots” . Here we will dsicuss our recent reports on the design of three dimensional (3D) plasmonic “hot spots” based substrate using gold nanoparticle attached hybrid graphene oxide (GO) which breaks the traditional 2D limitation. Experimental result shows that the 3D substrate has the capability for highly sensitive label-free sensing of food toxin. Reported experimental results demonstrated that 3D-substrate based SERS can be used for finger-print identification for several food toxin with detection limits of 5 colony forming unit /mL. AGFD 272 Real-time detection of heavy metals and bacteria in water using a graphene-based field-effect transistor sensing platform Junhong Chen, jhchen@uwm.edu. Mechanical Engineering, Univ. of Wisconsin-Milwaukee The National Academy of Eng. identified “providing access to clean water” as one of the top 10 grand challenges for engineering in the 21st century. A central requirement for safe drinking water is the availability of low-cost and real-time water quality monitoring. Current detection methods for heavy metals and bacteria in water are often too expensive or unsuitable for in-situ and real-time detection (an unmet need). As a result, there is a lack of water quality monitoring along the water distribution line and at the point of use, which is inadequate because of potential deterioration in water quality within water distribution systems (e.g., Flint Water Crisis). Here we report a graphene-based field-effect transistor platform that can be useful for real-time detection of a wide range of water contaminants such as heavy metals and bacteria. The working principle of the sensor is that the graphene conductivity (usually measured in resistance) changes with the binding of chemical or biological species to probes anchored on the graphene surface. As such, the presence of the analytes (heavy metals and bacteria) can be determined by measuring the sensor resistance change. The breakthrough technology allows for real-time detection (no sample preparation) of deadly contaminants with unprecedented sensitivity and specificity in field settings (outside a central laboratory facility) for single point testing (e.g., handheld device) or in-line continuous flow testing. This talk will introduce the platform technology and its development from concept to prototype product through partnership with industries. AGFD 273 DNAzyme- and DNA aptamer-based nanosensors for on-site and real-time detection in food safety and quality Yi Lu1, yi-lu@uiuc.edu, JingJing Zhang1, Tian Lan2. (1) Dept of Chemistry, Univ of Illinois, Urbana (2) GlucoSentient, Inc., Champaign, Illinois Selective sensors are very useful for on-site and real-time detection of adulterants or contaminants in food safety and quality. Despite a lot of effort, few such sensors are commercially available, especially for metal ions and organic toxins. We have identified challenges in both fundamental science and in technological development, and have made significant progresses in meeting these challenges. In fundamental science, designing sensors based on a single class of molecules for a broad range of targets is a major challenge. Most

processes are based on a trial and error where successes in designing sensors for one target can be difficult to translate success in designing sensors for other targets. To meet these challenges, we have used in vitro selection or SELEX to obtain DNAzymes, a class of metalloenzymes that use DNA molecules exclusively for catalysis, and DNA aptamers, a class of nucleic acids that rival antibodies in binding targets of choice strongly and specifically, and used negative selection strategy to improve the selectivity. By labeling the resulting DNAzymes and aptamers with fluorophore/quenchers, gold nanoparticles, and quantum dots, we have developed new classes of fluorescent and colorimetric sensors for metal ions and a wide range of other targets with high sensitivity (down to 14 pM) and selectivity (> 1 million fold selectivity).1 For example, we recently has taken advantage of size-dependent modulation of graphene oxide-aptamer interaction for amplified fluorescent detection of aflatoxin B1 with tunable dynamic ranges.2 In technological development, there are still significant barriers for the public to adopt new devices or technologies developed in labs. We are exploring ways to overcome this barrier by taking advantages of the wide availability and low cost of the pocket-sized electrochemical devices such as glucose meters to detect many non-glucose targets,3 including those in food safety and quality, such as melamine and Ochratoxin A.4 Since in vitro selection can be used to obtain DNAzymes and DNA aptamers to bind a wide range of targets, this approach can be readily used by the general public to detect many other targets in food safety and quality. AGFD 274 Easy-to-use, portable and inexpensive nano-engineered sensors for assessing food quality and safety Emanuela Andreescu, eandrees@clarkson.edu, Ali Othman, Kevin Kirk, Fatima Mustafa. Clarkson Univ., Potsdam, NY The demand for inexpensive field portable devices that could respond to the today’s needs for low cost and rapid detection with on-site measurement capabilities is growing. This presentation will discuss development, scalable manufacturing, analytical characterization and deployment of portable biosensors that incorporate functional nanoparticles, and their application for food monitoring and quality assurance. To fabricate the sensors, we use nanoparticles that have tunable redox activity, optical and catalytic properties and can transduce and catalytically amplify signals in chemical and biological detection schemes involving biomolecules. The modification of nanoparticles with biological receptors and adaptation of this technology. to paper-based sensors will be described. The biofunctionalized surface reacts specifically and generates distinct optically or electrochemically detectable signals based on the chemical composition and concentration of active ingredients. A unique feature of these devices is the built-in detection mechanism with all the sensing components needed for analysis deposited onto the sensing platform that can function as an all-in-one bioanalytical device. These sensors have been interfaced with portable databases and user-friendly signal transduction methods, and have demonstrated excellent analytical performance when used in the field. The platform can be inexpensively produced in large quantities by printing; it can also be added to packaging and used as smart label during manufacturing, storage and use. Several prototype systems designed for food safety monitoring and authentication of active ingredients in cosmetic and food products will be discussed, with examples of applications. These sensors can be used by consumers, regulatory agencies or industry to check the quality, shelf life and origin of raw materials or products. AGFD 275 Exploiting bio-magnetic properties for a simple and rapid label-free extraction and concentration of pathogens from complex matrices Evangelyn C. Alocilja, alocilja@msu.edu. Biosystems and Agricultural Engineering, Michigan State Univ., East Lansing We present a novel functionalized magnetic nanoparticles that can be used to extract and concentrate pathogenic bacteria by taking advantage of their cellular bio-magnetic properties. We

hypothesize that the interaction between the cellular bio-magnetic properties and the functionalized magnetic nanoparticles results in the bio-filtration of target/non-target cells, extraction of pathogenic bacterial cells, and concentration of the extracted cells, resulting in an increased number of cells for downstream processing, detection and diagnosis. We will demonstrate the assay for the extraction and concentration Escherichia coli O157:H7, Salmonella species, and other organisms in complex matrices with a processing time of less than 10 min at a cost of less than $0.05 per assay. Results show that the extraction efficiency is 80-100%, concentration factor is 2-20 times, and the limit of detection is 10^1 colony forming units per milliliter (cfu/ml). The new functionalized magnetic nanoparticles has great potential applications in rapid diagnostics, food safety, healthcare, water quality, and biodefense. AGFD 276 withdrawn AGFD 277 Electrochemical conversion of magnetic nanoparticles with multiple interfacial effects for biosensing of avian influenza virus Yingchun Fu1, ycfu@zju.edu.cn, Qi Zhang1, Lingyan Li2, Qingji Xie2, Shouzhuo Yao2, Yanbin Li1. (1) Zhejiang Univ., Hangzhou, Zhejiang, China (2) Hunan Normal Univ., Changsha,

China A serious impetus always exists to exploit new methods to enrich the prospect of nanomaterials.1 Here, we report electrochemical conversion (ECC) of magnetic nanoparticles (MNPs) into electroactive Prussian blue (PB) analogues accompanying with multiple interfacial effects and its exploitation for a novel label self-sacrificial biosensing strategy. The ECC-MNP method involves a high potential step to create strong acidic condition by splitting H2O to release Fe3+ from the MNPs, and then a low potential step to cause the reduction of co-existing K3Fe(CN)6 and Fe3+ to K4Fe(CN)6 and Fe2+, respectively, which react to form PB analogues. The method enriched the functionalization of MNPs besides the magnetic properties, and presented a series of interesting surficial “templating”, “generation-confinement”, and “refreshing” effects/modes, which significantly benefited the production, properties and performance of PB. The ECC-MNP has endowed the biosensing technolgy for avian influenza virus H5N1 using MNPs as self-sacrificial labels with superior sensitivity and simplicity, such as a detection limit of 7.4×10−4 HAU (in 5 mL sample), which was magnitudes lower than that of most analogues. The ECC-MNP method may create a new electrochemistry mode and lead to a new direction for the application of nanomaterials.

mark March 18-22, 2018 on your calendar for the 255th ACS National Meeting in New Orleans

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Schedule of AGFD Technical, Business, Planning, and Social Activities

Sun 12:00-1:00pm Sun 5:00-7:00pm

Mon 12:00-1:00pm Mon 5:00-8:00pm

Mon 8:00-10:00pm Tues 12:00-1:00pm

Tues 5:30-8:00pm

Special Topics AGFD General Posters

Future Programs Executive Committee Meeting

Sci-Mix Business Meeting

AGFD Awards Banquet

Convention Center East Overlook Convention Center Hall C Convention Center West Overlook Convention Center West Overlook Convention Center Halls D/E Convention Center Room 146C B Too 1324 14thSt NW (directions on cover)