Letno poročilo 2006 (pdf)

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Poro~ilo o delu 2006

Annual report 2006

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POROÎLO O DELU 2006 / ANNUAL REPORT 2006

Zaloìl / Published by: Kemijski in{titut Ljubljana, Hajdrihova 19, SI-1001 Ljubljana

Uredili / Edited by: Brigita Pirc, Lucija Kramberger (bibliografija / bibliography)

Lektorirala / Lector: Katja Dragar

Fotografije / Photo: Arhiv Kemijskega in{tituta / Archive of the National Institute of Chemistry

Oblikovanje ovitka / Design: Infiniti d.o.o., Ljubljana

Tisk / Printed by: Tiskarna Littera picta d.o.o.

Ljubljana, 2007

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Kazalo

Govor direktorja na slovesnosti ob 60. obletnici Kemijskega in{tituta ....................................... 5

Govor predsednika vlade Republike Slovenije, gospoda Janeza Jan{e,

na slovesnosti ob 60. obletnici Kemijskega in{tituta ......................................................... 11

Poslanstvo Kemijskega in{tituta ............................................................................................. 15

Organizacijska shema ........................................................................................................... 16

Vodstvo in{tituta .................................................................................................................. 19

Finance ................................................................................................................................. 20

Prihodki Kemijskega in{tituta ................................................................................................ 22

Zaposleni .............................................................................................................................. 23

Doktorati, magisteriji in diplome v letu 2006 ........................................................................ 24

Objave v letu 2006 ............................................................................................................... 26

Mednarodno sodelovanje ..................................................................................................... 29

Nagrade podeljene sodelavcem in{tituta v letu 2006............................................................. 31

Zaposleni v splo{nem sektorju .............................................................................................. 37

Laboratorij za molekularno modeliranje in NMR spektroskopijo ............................................. 39

Laboratorij za spektroskopijo materialov ............................................................................... 51

Laboratorij za kemometrijo ................................................................................................... 59

Laboratorij za analizno kemijo .............................................................................................. 73

Laboratorij za kemijo, biologijo in tehnologijo vod ................................................................ 85

Laboratorij za prehrambeno kemijo ...................................................................................... 95

Laboratorij za polimerno kemijo in tehnologijo ................................................................... 103

Laboratorij za organsko sintezo in kemijo zdravil ................................................................. 113

Laboratorij za anorgansko kemijo in tehnologijo ................................................................. 117

Laboratorij za elektrokemijo materialov ............................................................................... 127

Laboratorij za biosintezo in biotransformacijo ..................................................................... 135

Laboratorij za biotehnologijo .............................................................................................. 149

Laboratorij za katalizo in reakcijsko inènirstvo ................................................................... 159

Laboratorij za procesno inènirstvo .................................................................................... 165

Nacionalni center za NMR spektroskopijo visoke lo~ljivosti - lokacija KI ............................... 173

Center za validacijske tehnologije in analitiko (CVTA) .......................................................... 183

Izbrana bibliografija v letu 2006 ......................................................................................... 187

Kazalo

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Index

Speech of the Direcor at the Celebration of the 60th Anniversary of the

National Institute of Chemistry .......................................................................................... 5

Speech of the Prime Minister of the Republic of Slovenia Mr. Janez Jan{a at

the Celebration of the 60th Anniversary of the National Institute of Chemistry .................. 11

The Mission of the National Institute of Chemistry ................................................................ 15

Organisation Chart ............................................................................................................... 16

Institute Management .......................................................................................................... 19

Finances ............................................................................................................................... 20

Revenues of the National Institute of Chemistry .................................................................... 22

Personnel .............................................................................................................................. 23

Doctoral, Master’s and Graduate Theses ............................................................................... 24

Published Works in Year 2006 ............................................................................................... 26

International Cooperation ..................................................................................................... 29

Awards Given To Collaborators with the Institute in 2006 ..................................................... 31

General Sector - Employees .................................................................................................. 37

Laboratory for Molecular Modelling and NMR Spectroscopy ................................................. 39

Laboratory for Spectroscopy of Materials .............................................................................. 51

Laboratory of Chemometrics ................................................................................................. 59

Analytical Chemistry Laboratory ............................................................................................ 73

Laboratory for Chemistry, Biology and Technology of Water .................................................. 85

Laboratory for Food Chemistry .............................................................................................. 95

Laboratory for Polymer Chemistry and Technology .............................................................. 103

Laboratory for Organic and Medicinal Chemistry ................................................................. 113

Laboratory for Inorganic Chemistry and Technology ............................................................ 117

Laboratory for Materials Electrochemistry ........................................................................... 127

Laboratory for Biosynthesis and Biotransformation .............................................................. 135

Laboratory of Biotechnology ............................................................................................... 149

Laboratory for Catalysis and Chemical Reaction Engineering ............................................... 159

Laboratory for Chemical Process Engineering ...................................................................... 165

National Centre for High Resolution NMR Spectroscopy - Location NIC ............................... 173

Centre for Validation Technologies and Analytics (CVTA) ..................................................... 183

Selected Bibliography in Year 2006 ..................................................................................... 187

Index

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Govor direktorja na slovesnosti ob 60. obletnici Kemijskega in{titutaSpeech of the Direcor at the Celebration of the 60th Anniversary of the National Institute of Chemistry

Govor direktorja na slovesnosti ob 60. obletniciKemijskega in{tituta

Speech of the Direcor at the Celebration of the60th Anniversary of the National Institute ofChemistry

Ljubljana, May 29, 2007

The National Institute of Chemistry (NIC) hasbeen, from its very beginnings under the lead-ership of Professor Maks Samec until today, trueto its mission and fundamental values, whichare: high-level science and cooperation withindustry, to which high-quality education is evermore strongly linked. In the 60 years since itsestablishment, the NIC has developed into amodern, well-equiped research institution,which is a part of global research efforts, withthe aim of aiding the economic advancementand enhancing the quality of life in Slovenia.

Now, let us focus on the implementation of thefundamental strategic goals of the NIC withinthe past 10 years.

NIC has consistently raised the level of under-standing and science in the fields of:

- biotechnology and the chemistry drugs (aswell as food),

- materials and engineering,- environmental protection and analytical

chemistry, as well as- structural and computational chemistry.

Ljubljana, 29. maj, 2007

Kemijski in{titut je bil vse od skromnih za~etkovpod vodstvom profesorja Maksa Samca pa vsedo danes zvest svojemu poslanstvu in osnovnimvrednotam, ki so: odli~na znanost in sodelo-vanje z gospodarstvom, ~emur se vse boljintenzivno pridruùje tudi kakovostno izobra-èvanje. V 60. letih od svoje ustanovitve se jein{titut razvil v moderno, dobro opremljenoraziskovalno ustanovo, ki je vpeta v globalneraziskovalne tokove s ciljem, da ~im boljeprispeva k gospodarskemu napredku inizbolj{evanju kvalitete ìvljenja v Sloveniji.

V nadaljevanju se bom osredoto~il na izvajanjeosnovnih strate{kih ciljev in{tituta v obdobjuzadnjih desetih let.

Kemijski in{titut stalno pove~uje nivo znanja inznanosti na podro~jih:

- biotehnologije in kemije zdravil (tudiprehrane),

- materialov in inènirstva,- varstva okolja in analizne kemije ter- strukturne in ra~unalni{ke kemije.

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The ever higher quality of the research of thoseworking at the NIC is shown by the increase inpublications in better scientific journals, it is alsoevidenced by the higher impact factors of thejournals where our scientific articles are pub-lished. International cooperation is very impor-tant in order to carry out high-quality researchwork and for our successful competition forEuropean and other international researchprojects. To this end, our traditional opennessin the international sphere and the professionalwork of our researchers while visiting prestig-ious institutions abroad, where they are alwayswelcome, has helped us. For research, to becomparable with the best in the world, therecannot be simply enthusiastic scientists, butthere must also be appropriate research equip-ment and working conditions. Within the pastfew years, we have put a lot of energy into in-vestment. Among other things, we have madethe largest investment into an individual pieceof research equipment in Slovenia in the formof an 800 MHz NMR spectrometer, which, to-gether with other instruments in our EuropeanCentre of Excellence, represents an importantpart of Europe’s research infrastructure. Thereis an ever greater interest from abroad in un-dertaking research work at the NIC, which is agood sign that we are heading in the right di-rection. A comparative study of European re-search institutes from 2002 showed the NIC tobe quite competitive with the best in the world,as we managed, despite more modest finan-cial resources, to outdo other European insti-tutions on many criteria.

One of the constants which has been with ourinstitute from its foundation is the strong co-operation with industry. The NIC has consist-ently cooperated in a large-scale and success-ful way with companies. This cooperation hasdemanded a great deal of organization in ourwork and business matters, but at the sametime has allowed us to obtain additional knowl-edge and financial resources, with which wehave been able to buy research equipment forthe long-term development of the institute. Wehave also created a number of long-term part-

Vse ve~jo kvaliteto raziskav sodelavcev Kemij-skega in{tituta potrjujejo objave v vse bolj{ihznanstvenih revijah, na kar kaè na primer rastpovpre~nega faktorja vpliva revij v katerihobjavljamo znanstvene ~lanke. Za kvalitetnoraziskovalno delo je izjemno pomembnomednarodno sodelovanje in na{e uspe{nokonkuriranje za evropske in druge mednarodneraziskovalne projekte. K temu veliko pripomorena{a tradicionalna odprtost v mednarodniprostor in strokovno delo na{ih raziskovalcevmed gostovanjem na najpresti`nej{ih institu-cijah v tujini, kjer so vedno dobrodo{li. Zaraziskave, primerljive z najbolj{imi v svetu jepoleg zagnanih znanstvenikov potrebna tudiustrezna raziskovalna oprema in pogoji dela.Tudi v zadnjem obdobju smo zato vloìli velikoenergije v investicije. Med drugim smo izpeljalitudi najve~jo investicijo v posamezno razisko-valno opremo v Sloveniji, 800 MHz NMRspektrometer, ki skupaj z drugimi instrumenti vna{em evropskem centru odli~nosti predstavljapomembno evropsko raziskovalno infrastru-kturo. Vse ve~ji interes znanstvenikov iz tujineza raziskovalno delo na na{em in{titutu je doberpokazatelj, da smo na pravi poti. Na dobroprimerljivost z najbolj{imi na svetu pa jepokazala tudi primerjalna {tudija evropskihraziskovalnih in{titutov iz leta 2002, kjer smokljub skromnej{im finan~nim virom presegaliostale evropske in{titute po mnogih kriterijih.

Ena izmed stalnic, ki spremlja na{ in{titut èvse od ustanovitve, je nedvomno intenzivnosodelovanje z gospodarstvom. Kemijski in{titutvseskozi veliko in uspe{no sodeluje s podjetji.To sodelovanje od nas zahteva veliko urejenostna{ega dela in poslovanja, ter nam obenemomogo~a pridobivanje dodatnih znanj infinan~nih sredstev, s katerimi lahko kupujemoza dolgoro~ni razvoj in{tituta nujno potrebnoraziskovalno opremo. S podjetji v Sloveniji smovzpostavili mnoga dolgoro~na partnerstva, kitemeljijo na visoki stopnji medsebojnegazaupanja, kar smo mnogokrat okrepili tudi zizmenjavo strokovnjakov.

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Obeleènje 60. obletnice Kemijskega in{tituta, Grand

Hotel Union, Ljubljana, 29. maj 2007

Celebration of the 60th anniversary of the National

Institute of Chemistry, Grand Hotel Union, Ljubljana,

May 29, 2007

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Zato smo na Kemijskem in{titutu zelo zadovoljniob izredno uspe{nem razvoju na{ih gospo-darskih partnerjev, saj se nekateri od njihuvr{~ajo med najve~ja in najuspe{nej{aslovenska podjetja; med tista, ki delujejoglobalno in se uspe{no soo~ajo s svetovnokonkurenco. Zavedamo se, da bomo lahkouspe{no sodelovali in pripomogli k njihoviuspe{nosti tudi v prihodnje le tako, da bo tudina{e znanje globalno konkuren~no. Povpre~noznanje ali znanost enostavno nista dovolj dobra!Vse ve~ Kemijski in{titut sodeluje tudi s podjetjiiz tujine, podjetni{ke izku{nje pa pridobivamotudi s soustanovitvijo podjetja na Nizozemskem,na podro~ju kemometrije skupaj z nekaterimiodli~nimi tujimi raziskovalnimi ustanovami.Ilustracija na{e inovativnosti je uspe{en prebojizuma in{tituta na podro~ju prehranskihdopolnil, ki nam je uspel skupaj z industrijskimpartnerjem.

Odli~en nivo znanja, podkrepljen z ustreznimipogoji dela ter sodobno raziskovalno infrastru-kturo pa ni le nujen pogoj za uspe{nosodelovanje z gospodarstvom in za doseganjeodli~ne znanosti v mednarodnih okvirih, ampakje tudi nujen pogoj za postavitev kvalitetnegaizobraèvanja. Kemijski in{titut uspe{nosodeluje tudi v procesih izobraèvanja. Vobdobju zadnjih desetih let je raziskovalno deloza doktorsko disertacijo opravilo 74 razis-kovalcev, za magisterij 42 raziskovalcev,raziskovalno delo za diplomsko delo pa kar 323{tudentov. Trenutno na in{titutu opravlja svojeraziskovalno delo kar 65 doktorskih {tudentov,pribli`no ena tretjina (od 96) doktorjev znanostipa je habilitiranih na slovenskih univerzah. Nana{o uspe{no sodelovanje pri izobraèvanjukaè tudi odmevna mednarodna zmaga natekmovanju {tudentov najbolj{ih svetovnihuniverz iz podro~ja sintezne biologije v lanskemletu.

Glede na doseèno, ni presenetljivo, da smo vpostopku ustanovitve visoko{olskega zavodaRaziskovalne {ole Kemijskega in{tituta. Prepri~a-ni smo, da v strate{kem partnerstvu z drugimi

nerships with companies in Slovenia, which arebased on a high-level of interpersonal trust andhave been strengthened through exchanges ofexperts.

Therefore, the NIC is very pleased with the ex-ceptionally successful development of our eco-nomic partners, many of whom are among thelargest and most successful in Slovenia, evenamong those who do business globally andmust therefore face tough global competition.We are aware that we can successfully cooper-ate and also contribute to their success in thefuture only if our own knowledge is globallycompetitive. Average knowledge or science issimply not good enough! The NIC is workingmore and more with foreign companies. Weare also gaining business experience throughthe co-establishment of a company in the Neth-erlands in the field of chemometrics, togetherwith other high-level research institutions. Anillustration of our innovativeness has been thebreakthrough invention of our institute in thefield of nutritional supplements in cooperationwith industrial partners.

An excellent level of knowledge strengthenedby appropriate working conditions and a mod-ern research infrastructure are not the only nec-essary conditions for successful cooperationwith industry and for achieving excellent sci-ence in an international framework, anothernecessary condition needed is high-quality edu-cation. The NIC successfully participates in theeducation process. Within the past ten years,research work at the NIC towards a PhD wascompleted by 74 researchers, towards a Mas-ter’s degree by 42 researchers, and towards aB.S. degree by 323 students. At the moment,65 doctoral students are undertaking researchwork at the institute and approximately one-third (out of 96) of our PhD’s are affiliated witha university. Our successful association witheducation is also shown by the amazing winby a Slovenian group at an international com-petition of students from the world’s best uni-versities in the field of synthetic biology last year.

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visoko{olskimi organizacijami lahko prispevamoh globalni konkuren~nosti slovenskega visoko-{olskega izobraèvanja in posredno tudikonkuren~nosti slovenskega gospodarstva.

Za uspe{no tekmo na svetovnem nivoju vprihodnje, bomo morali {e bolje povezati vsena{e sposobnosti in znanja tako na in{titutukot tudi {ir{e v Sloveniji. V teh procesih bo velikaprilo`nost in{tituta njegova interdisciplinarnost.Raziskovalci, ki delajo na Kemijskem in{titutu,prihajajo s podro~ij kemije, fizike, biologije,farmacije, medicine in matematike. Prepri~ansem, da bo prav bolje usklajeno delo posa-meznikov in manj{ih skupin z razli~nihraziskovalnih podro~ij pomembno prispevalo kuspe{nemu sodelovanju tudi v globalno zelokonkuren~nih raziskovalnih projektih. Nekajtak{nih mednarodnih projektov, kjer sodelujeve~ raziskovalnih skupin in{tituta je è v teku.Na primer omenjeni NMR Center, projektgorivnih celic ter projekt nanobiofarmacevtike.

Kemijski in{titut je v 60. letih prehodil izrednouspe{no pot. K temu so s svojim ustvarjalnimdelom najve~ prispevali prav sodelavci in{tituta.Lepa hvala vsem za va{ prispevek k razvojuin{tituta. Meni osebno pa je v veselje, da semlahko sodeloval z vami in tako po svojih mo~ehprispeval k razvoju na{ega in{tituta.

Mnoge uspe{ne projekte pa nismo izpeljali sami,ampak skupaj s partnerji iz akademske sfere ingospodarstva. Zato se èlim ob koncu zahvalitivsem na{im partnerjem za uspe{no sodelovanjez upanjem, da ga v prihodnjih letih {e okrepimo.

With all we have achieved it is no surprise thatwe are in the process of establishing an insti-tute of higher education: the Research Schoolof the National Institute of Chemistry. We areconvinced that in a strategic partnership withother organizations of higher education we cancontribute to the global competitiveness ofSlovenian higher education and, indirectly, tothe competitiveness of the Slovenian economyas a whole.

In order to successfully compete on a globallevel in the future we are going to have to bringtogether all of our knowledge and capabilitiesnot only within the institute but also withinSlovenia itself. The interdisciplinary nature ofthe NIC will be a great advantage in this re-gard. Researchers who work at the institutecome from the fields of chemistry, physics, bi-ology, pharmacy, medicine, and mathematics.I am convinced that closer work between indi-viduals and smaller groups from different fieldsof research will also contribute to successfulcollaboration in highly competitive researchprojects. Such international projects, wheremany research groups from the NIC are alreadyparticipating, are currently up and running, forexample, the previously mentioned NMR Center,a fuel cell project and a project concerningnanobiopharmaceuticals.

The National Institute of Chemistry has trav-elled a remarkably successful road over the past60 years. Those who have worked at the insti-tute have contributed to this success throughtheir own creative work. Thank you all for yourcontribution to the development of the insti-tute. I am personally very pleased to have beenable to work with you and to contribute myown talents to the development of the insti-tute.

Many successful projects have not been carriedout by us alone, but together with partners fromthe academic sphere and the economy. There-fore, I would finally like to thank all of our part-ners for their successful partnerships with thehope that these will only be strengthened inthe future.

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Letno poro~ilo 2006Annual report 2006

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Govor predsednika vlade Republike Slovenije, gospoda Janeza Jan{e, na slovesnosti ob 60. obletnici Kemijskega in{titutaSpeech of the Prime Minister of the Republic of Slovenia Mr. Janez Jan{a at the Celebration of the 60th Anniversary

of the National Institute of Chemistry

Govor predsednika vlade Republike Slovenije,gospoda Janeza Jan{e, na slovesnosti ob60. obletnici Kemijskega in{tituta

Speech of the Prime Minister of the Republic ofSlovenia Mr. Janez Jan{a at the Celebration of the60th Anniversary of the National Institute ofChemistry

Ljubljana, May 29, 2007

Ladies and Gentlemen!

Science and technology have put the limits ofour lives to a test over and over again. Or asGoethe once said: Man must always believe thatthe unknown can be understood, otherwisenothing can be discovered. Things that we didnot even dare imagine in the past are now com-mon in our every day, while the eyes of scien-tists and researchers are already looking into afuture beyond the known and possible.

Today we have available more knowledge andtechnology than 60 years ago when the Na-tional Institute of Chemistry was established. Inthe time since its establishments many thingschanged – the people, the building, the equip-ment, the research methods – however, twomain »chemical« ingredients remain: the lovefor chemistry and a wish to research it. Overthis period the institute has grown into a wellrespected institution in the area of chemistryand related sciences in Slovenia and around theworld. With its reaserch and modern infrastruc-ture it today ensures top science and research

Ljubljana, 29. maj, 2007

Spo{tovani!

Znanost in tehnologija postavljata meje na{egaìvljenja vedno znova na preizku{njo. Ali kakorje neko~ dejal Goethe: » ^lovek mora nepre-stano verjeti, da je nedoumljivo doumljivo, sicerne bi ni~esar odkril.«

Tako so stvari, ki si jih v~asih nismo upali nitizamisliti, danes nekaj vsakdanjega, poglediznanstvenikov in raziskovalcev pa so èusmerjeni v prihodnost, onstran znanega inmo`nega.

Danes imamo na razpolago ve~ znanja intehnologije kot pred 60. leti, ko je bilustanovljen Kemijski in{titut.

V ~asu od ustanovitve pa do danes se jespremenilo mnogo - ljudje, zgradba, oprema,raziskovalne metode, vendar sta glavni»kemijski« sestavini, to sta ljubezen do kemijein èlja po njenem raziskovanju, ostali. V tem~asu je in{titut postal doma in v svetuprepoznavna raziskovalna organizacija napodro~ju kemije in sorodnih disciplin. S svojimraziskovalnim delom in sodobno infrastrukturo

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Govor predsednika vlade Republike Slovenije, gospoda Janeza Jan{e, na slovesnosti ob 60. obletnici Kemijskega in{titutaSpeech of the Prime Minister of the Republic of Slovenia Mr. Janez Jan{a at the Celebration of the 60th Anniversaryof the National Institute of Chemistry

results, the education of professionals, and thetransfer of knowledge into the economy.

In the 60 years of its existence it was not onlythe institute that changed, but our country aswell. We now have a different economic posi-tion that allows us to set our goals higher andto be more ambitious, since only daring, knowl-edge and creativity can raise us above the aver-age. Slovenia is becoming a creative environ-ment for people that have ideas and the en-ergy to make them come true. This should beour comparative advantage in the future as well.It is necessary that we create conditions thatwill allow us to retain and attract the mostprominent experts, a key challenge for bothSlovenia and the European Union. Therefore wecan be pleased with the successful involvementof the National Institute of Chemistry in Euro-pean projects, its cooperation with domesticand foreign universities and industry, and themobility of its researchers.

In research and development Slovenia has setitself ambitious goals as written into the Reso-lution on the National Research and Develop-ment Program for the period up to 2010. In it,Slovenia has made a commitment to increasethe influence of research and development, toincrease the investment in this sector, and toraise the quality of our research system both bysupport for the development of human re-sources as well as by creating an adequate en-vironment for the development of research in-stitutions and high technology companies. Asignificant development movement howeverrequires longterm efforts on the part of thewhole society. The results will not be seen im-mediately. Slovenia is determined that knowl-edge based development, supported by theseventh research and technology developmentframework program of the European Union, isthe only true and possible positive future.

It is therefore a pleasure to see that at the Na-tional Institute of Chemistry you chose to clearlyset out your contribution to Slovenian economicdevelopment and the improvement in the qual-

zagotavlja danes vrhunske znanstveno-raziskovalne dose`ke, vzgojo kadrov in prenosnovih znanj v gospodarstvo.

V teh 60-ih letih delovanja pa se ni spremenilsamo in{titut, ampak tudi na{a dràva in njengospodarski poloàj, ki nam danes omogo~a,da si zastavimo vi{je in bolj ambiciozne cilje,saj nas le drznost, znanje in ustvarjalnost lahkodvigneta iz povpre~ja. Slovenija postajaustvarjalno okolje za ljudi, ki imajo zamisli inenergijo, da jih uresni~ijo. Naj bo to na{aprimerjalna prednost pred drugimi tudi vprihodnje. Potrebno je namre~ ustvariti pogojeza ohranitev in pritegnitev najodli~nej{ihstrokovnjakov, kar je klju~ni izziv Slovenije inEvropske unije, zato velja pozdraviti uspe{nosodelovanje Kemijskega in{tituta v evropskihprojektih, sodelovanje z doma~imi in tujimiuniverzami in industrijo ter mobilnost razisko-valcev.

Slovenija si je na podro~ju raziskav in razvojazastavila ambiciozne cilje, ti so zapisani vResoluciji o nacionalnem raziskovalnem inrazvojnem programu za obdobje do leta 2010.V njej se je zavezala k pove~anju vpliva raziskavin razvoja v Sloveniji, k pove~anju vlaganj v tasektor ter k dvigu kakovosti na{ega razisko-valnega sistema tako s spodbujanjem razvoja~love{kih virov, kot tudi s spodbujanjemprimernega okolja za razvoj raziskovalnihinstitucij in visokotehnolo{kih podjetij. Zarazvojne premike pa so potrebni dolgoro~ninapori celotne dru`be. Rezultati se ne pokaèjotakoj. Slovenija je trdno odlo~ena, da se je naznanju temelje~ razvoj na{e dru`be, ki gasmiselno podpira tudi sedmi okvirni programraziskav in tehnolo{kega razvoja Evropske unije,edina prava in mo`na pozitivna prihodnost.

Zelo me veseli, da ste na Kemijskem in{titutuèljo po prispevku h gospodarskem napredkuin izbolj{anju kvalitete ìvljenja, jasno zapisali vsvoje poslanstvo. Zlasti velja pozdraviti va{posluh za mlade, {e posebej {tudente, saj jih jelepo {tevilo vklju~eno v program mladihraziskovalcev.

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Govor predsednika vlade Republike Slovenije, gospoda Janeza Jan{e, na slovesnosti ob 60. obletnici Kemijskega in{titutaSpeech of the Prime Minister of the Republic of Slovenia Mr. Janez Jan{a at the Celebration of the 60th Anniversary

of the National Institute of Chemistry

ity of life into your mission statement. Mostencouraging is your care for young research-ers, especially for students, which can be seenfrom the number of those included in the youngresearchers program. The sovereignty of a hu-man is in his knowledge and we want the Na-tional Institute of Chemistry to become evenmore involved in the programs designed to pro-mote the study of natural sciences and tech-nology and offer its researchers as mentors toelementary and high school students and theirprofessors.

Suverenost ~loveka je v znanju, zato si èlimo,da bi se Kemijski in{titut {e bolj intenzivnovklju~il v programe spodbujanja mladih za {tudijnaravoslovja in tehnike, svoje raziskovalce paponudil kot mentorje osnovno{olcem insrednje{olcem ter njihovim profesorjem.

Predsednik Vlade Republike Slovenije, gospod Janez

Jan{a, je imel slavnostni nagovor

The Prime Minister of the Republic of Slovenia Janez

Jan{a during his address

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Poslanstvo Kemijskega in{titutaThe Mission of the National Institute of Chemistry

Poslanstvo Kemijskega in{tituta

The Mission of the National Institute of Chemistry

- Kemijski in{titut je v Sloveniji vodilna in v svetuprepoznavna raziskovalna organizacija napodro~ju kemije in sorodnih disciplin.

- Z raziskovalnim delom in moderno infra-strukturo zagotavlja vrhunske znanstveno -raziskovalne dose`ke, vzgojo kadrov in prenosnovih znanj v gospodarstvo.

- Kemijski in{titut s svojim delom pomembnoprispeva h gospodarskemu napredku inizbolj{anju kakovosti ìvljenja v Sloveniji.

- The National Institute of Chemistry isSlovenian leading and worldwide known re-search institution in the field of chemistry andrelated disciplines.

- Performed research and modern infra-structure enables top-level scientific researchachievments, nurturing new human poten-tials and transferring knowledge into theeconomy.

- The results of National Institute of Chemistrysubstantially contribute to the economicgrowth and improvement of quality of life inSlovenia.

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Organizacijska shemaOrganisation Chart

Organizacijska shema

17

Organizacijska shemaOrganisation Chart

Organisation Chart

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Vodstvo in{titutaInstitute Management

Vodstvo in{tituta

Institute Management

VODSTVO / MANAGEMENT

- Direktor / DirectorDoc. dr. Peter VENTURINI

- Pomo~niki direktorja /Assistant directorsMag. Janez TOPLI[EK (do avgusta / untilaugust 2006)Andreja VRAN (od septembra / sinceseptember 2006)Mag. Renata VUGA

- Svetovalec direktorja /Councellor to the directorDoc. dr. Janko @MITEK

^LANI UPRAVNEGA ODBORA /BOARD OF GOVERNORS- Dr. Matej Penca, predsednik / president- Dr. Zvonko Bergant (do / until 20. 4. 2006)- Prof. dr. Roman Jerala- Dr. Gregor Gomi{~ek (od / since 20. 4.

2006)- Akad. prof. dr. Du{an Hadì (do / until 20.

4. 2006)- Doc. dr. Andrej Kitanovski (od / since 20.

4. 2006)- Prof. dr. Julijana Kristl (do / until 20. 4.

2006)- Dr. Andrej Kràn- Dr. Brina Ornik- Doc. dr. Janez Plavec- Boò [est (od / since 20. 4. 2006)- Prof. dr. Toma` [olmajer

^LANI ZNANSTVENEGA SVETA /SCIENTIFIC COUNCIL- Doc. dr. Janez Jamnik, predsednik /

president- Dr. Franc Avbelj- Prof. dr. Branko Bor{tnik- Prof. dr. Roman Jerala- Prof. dr. Ven~eslav Kau~i~- Dr. Albin Pintar- Doc. dr. Janez Plavec- Prof. dr. Milenko Ro{- Izr. prof. dr. Majda @igon- Doc. dr. Peter Venturini, direktor (~lan po

funkciji / member by function)

ÂSTNI ^LANI / HONORARY MEMBERS- Prof. dr. Igor BELI^�, 19. 12. 1986- Dr. Marta BLINC�, 19. 12. 1986- Prof. dr. Bojan DR@AJ�, 19. 12. 1986- Dr. Joè FEGE[�, 19. 12. 1986- Prof. dr. Vera JOHANIDES�, 19. 12. 1986- Prof. dr. Roman MODIC�, 19. 12. 1986- Prof. dr. Tihomir NOVAKOV, 19. 12. 1986- Prof. dr. Robert LAFFERTY, 15. 6. 1994- Prof. dr. Walter STEINER, 15. 6. 1994- Prof. dr. D. Luc MASSART�, 8. 3. 1995- Prof. dr. John R. HELLIWELL, 21. 10. 1996- Prof. dr. Joachim MAIER, 17. 4. 1996- Prof. dr. Du{an HAD@I, 9. 10. 2001

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FinanceFinances

Finance

21

FinanceFinances

Finances

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FinanceFinances

Prihodki Kemijskega in{tituta

Revenues of the National Institute of Chemistry

SLIKA

Prihodki Kemijskega in{tituta v mio EUR.

FIGURE

Revenues of the National Institute of Chemistry in

million euros.

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ZaposleniPersonnel

Zaposleni

Personnel

Na dan 31. 12. 2006 je bilo na Kemijskemin{titutu 241 zaposlenih, od tega 95 doktorjevznanosti, 9 magistrov, 91 z visoko izobrazbo,12 z vi{jo izobrazbo, 24 s srednjo in 10 z ni`joizobrazbo. [tevilo zaposlenih se je glede napredhodno leto pove~alo za 6 %, predvsem nara~un uspe{nih prijav na razpis za mladeraziskovalce.

On December 31, 2006, we have recorded 241employees with the following degree ofeducation: Ph.D. (95), Master degree (9),Bachelor degree (91), Associate degree (12),secondary school (24) and less than secondaryschool (10). Compared to the previous year thenumber of employees rose by 6 %, mainly dueto a number of successful applications for the“Young Researcher” tender.

SLIKA

Izobrazbena struktura zaposlenih na Kemijskem

in{titutu v letu 2006.

FIGURE

Employees level of education at the National Insti-

tute of Chemistry in 2006.

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Doktorati, magisteriji in diplome v letu 2006Doctoral, Master’s and Graduate Theses in Year 2006

Doktorati, magisteriji in diplome v letu 2006

Doctoral, Master’s and Graduate Theses in Year 2006

DOKTORATI / DOCTORAL THESES

- Mojca Fir, 11. 12. 2006

- Robi Je{e, 8. 3. 2006

- Mateja Novak [tagoj, 24. 10. 2006

SLIKADoktorati, magisteriji in diplome v letih1998 / 2006.

FIGUREPh.D., M.Sc., and B.Sc. theses in years1998 / 2006.

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Doktorati, magisteriji in diplome v letu 2006Doctoral, Master’s and Graduate Theses in Year 2006

[TEVILO DIPLOM, MAGISTERIJEV, DOKTORATOV, MENTORSTEV IN KOMENTORSTEV SSTRANI ZAPOSLENIH NA KEMIJSKEM IN[TITUTU

NUMBER OF B. Sc., M. Sc., Ph. D. THESES, MENTORSHIPS AND COMENTORSHIPS BYEMPLOYEES OF NATIONAL INSTITUTE OF CHEMISTRY

1 diploma / Undergraduate Thesis1 magisterij / Master’s Thesis3 doktorati / Doctoral Theses6 mentorstev pri diplomah / Mentorships of Undergraduate Theses4 mentorstva pri magisterijih / Mentorships of Master’s Theses2 mentorstvi pri doktoratih / Mentorships of Doctoral Theses16 komentorstev pri diplomah / Comentorships of Undergraduate Theses2 komentorstvi pri magisterijih / Comentorships of Master’s Theses14 komentorstev pri doktoratih / Comentorships of Doctoral Theses

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Objave v letu 2006Published Works in Year 2006

Objave v letu 2006

Published Works in Year 2006

SLIKAObjavljena dela (~lanki, knjige, poglavja, patenti) vletih 1998 / 2006.

FIGUREPublished works (papers, books, chapters, patents)in years 1998 / 2006.

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Objave v letu 2006Published Works in Year 2006

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Mednarodno sodelovanjeInternational Cooperation

Mednarodno sodelovanje

International Cooperation

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31

Nagrade podeljene sodelavcem in{tituta v letu 2006Awards Given To Collaborators with the Institute in 2006

Nagrade podeljene sodelavcem in{titutav letu 2006

Awards Given To Collaborators with theInstitute in 2006

Ob 60. letnici Kemijskega in{tituta so bile prvi~podeljene presti`ne Preglove nagrade (GrandHotel Union, Ljubljana, 29. maj 2007)

Veliko Preglovo nagrado Kemijskegain{tituta za raziskovalno delo je prejelakademik prof. dr. Du{an Hadì, za izjemneznanstvene dose`ke na razli~nih raziskovalnihpodro~jih.

The prestigious Pregl Awards were awarded forthe first time at the occasion of the 60thanniversary of the National institute of Chemistry(Grand Hotel Union, Ljubljana, May 29, 2007)

The Grand Pregl Award of the NationalInstitute of Chemistry for Research Workwas awarded to Member of the SlovenianAcademy of Sciences Professor Du{anHadì for his outstanding work in various fieldsof research.

Direktor, doc. dr. Peter Venturini izro~a Veliko Preglovo

nagrado akademiku, prof. Du{anu Hadìju

The Director of NIC, Dr. Peter Venturini, awards the

Grand Pregl Award to Member of the Slovenian

Academy of Sciences Professor Du{an Hadì

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Preglovo nagrado Kemijskega in{tituta zaizjemne dose`ke je prejel prof. dr. JanezPlavec, za pomembne znanstvene dose`ke napodro~ju raziskav gradnikov nukleinskih kislinz uporabo magnetne resonance.

Preglova nagrada Kemijskega in{tituta zaizjemno doktorsko delo na podro~jukemije in sorodnih ved, 24. 4. 2007:- dr. Primo` [ket: NMR {tudije vezave

kovinskih ionov znotraj G-kvadrupleksnihstruktur DNK; mentor: doc. dr. Janez Plavec

Tekmovanje iGEM (international Gene-tically Engineered Machines), na univerziMassachusetts Institute of Technology (MIT),Cambridge, ZDA; 5. 11. 2006Na mednarodnem tekmovanju {tudentskih ekipiz sintezne biologije je zmagala slovenska ekipa,ki je raziskovalno delo opravljala na Kemijskemin{titutu ter na Fakulteti za kemijo in kemijskotehnologijo Univerze v Ljubljani. Ekipo sta vodilaprof. dr. Roman Jerala s Kemijskega in{tituta indoc. dr. Marko Dolinar s Fakultete za kemijo in

The Pregl Award of the National Instituteof Chemistry for outstanding acheive-ments was received by Professor JanezPlavec, for his important scienctific achieve-ments in the research of nucleic acid buildingblocks using magnetic resonance.

The Pregl Award of the National Institute ofChemistry for outstanding doctoral work in thefield of chemistry and related sciences, April 24,2007:- Dr. Primo` [ket: NMR Studies of cation

binding within G-quadruplex DNA structures;mentor: Dr. Janez Plavec, Assist. Prof.

iGEM (international Genetically Engine-ered Machines) Competition, MassachusettsInstitute of Technology (MIT), Cambridge, USA,Nov. 5, 2006At an international competition of studentteams in the field of synthetic biology, theSlovenian team, which had carried out itsresearch at the NIC and the Faculty for Chemistryand Chemical Technology of the University of

Prof. Janezu Plavcu je med prvimi ~estital premier

Janez Jan{a

Prof. Janez Plavec was among the first to be

congratulated by Prime Minister Janez Jan{a

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kemijsko tehnologijo Univerze v Ljubljani,{tudenti pa so bili z Biotehni{ke fakultete ({tudijmikrobiologije), Fakultete za matematiko infiziko ter Fakultete za kemijo in kemijskotehnologijo (vse Univerza v Ljubljani). Pri izvedbiprojekta so kot mentorji sodelovali tudiraziskovalci Laboratorija za biotehnologijoKemijskega in{tituta.

Hevreka! 06 - osrednja slovenska prireditev napodro~ju inovativnosti (24.-27. oktober 2006,Ljubljana).- Raziskovalna skupina Laboratorija za bioteh-

nologijo pod vodstvom prof. dr. RomanaJerale je bila uvr{~ena med 17 najbolj{ihraziskovalnih skupin v letu 2005.

Dr. Primo` [ket

Ljubljana, won. The team was lead by Dr.Roman Jerala from the NIC and Dr. MarkoDolinar from the Faculty for Chemistry andChemical Technology of the University ofLjubljana, while the students were from theBiotechnical Faculty (studying microbiology)and the Faculty of Mathematics and Physics atthe University of Ljubljana. Researchers fromthe Laboratory for Biotechnology of the NICworked as mentors on the project.

Heureka! 06 – central Slovenian event in thefield of innovation (October 24-27, 2006,Ljubljana)- Research group from the Laboratory for

Biotechnology under the leadership of Prof.

34


Roman Jerala was among the 17 bestresearch groups in 2005.

Innovation “New water soluble form ofCoenzyme Q10, its preparation and use”received two awards:- Gold Award, Chamber of Commerce of

Slovenia – Regional Chambers Ljubljana,May 23, 2006 and

- Gold Award, Chamber of Commerce ofSlovenia, June 28, 2006

Authors of innovation were researchers fromthe NIC: Dr. Mirko Pro{ek, Dr. Janko @mitek,Dr. Andrej [midovnik, Dr. Alenka Golc Wondra,Dr. Samo Andren{ek, Maja Fir and Dr. MonikaStraì{ar.

At the occasions of the Day of Peace theNIC received the award of the capital city,Ljubljana, May 9, 2006

36th Annual Krka Prizes, Novo mesto,Slovenia; October 27, 2006:- Dr. Primo` [ket: »NMR Studies of cation

Inovacija »Nova vodotopna oblika koen-cima Q10, njegova priprava in uporaba«je prejela dve priznanji:- Zlato priznanje Gospodarske zbornice

Slovenije - Obmo~ne zbornice Ljubljana,23. 05. 2006 in

- Zlato priznanje Gospodarske zborniceSlovenije, 28. 06. 2006

Avtorji inovacije so raziskovalci Kemijskegain{tituta: dr. Mirko Pro{ek, dr. Janko @mitek,dr. Andrej [midovnik, dr. Alenka Golc Wondra,dr. Samo Andren{ek, Maja Fir in dr. MonikaStraì{ar.

Kemijski in{titut je ob mestnem prazniku,dvevu miru, prejel nagrado glavnegamesta Ljubljana, 09. 05. 2006

36. Krkine nagrade 2006; Novo mesto, 27.10. 2006- Dr. Primo` [ket: »NMR {tudije vezave

kovinskih ionov znotraj G-kvadrupleksnihstruktur DNK«; mentor: doc. dr. Janez Plavec

Zmagovalna ekipa {tudentov Ljubljanskeuniverze na sprejemu pri direktorju Kemijskegain{tituta (iGEM, 2006)

The winning team of students from theUniversity of Ljubljana with the Director of NIC(iGEM, 2006)

35


Dr. Franci Dem{ar, direktor ARRS izro~apriznanje prof. dr. Romanu Jerali (Hevreka! 06)

Dr. Franci Dem{ar, director of ARRS (SlovenianResearch Agency) handing Prof. Roman Jeralathe award (Heureka! 06)

Zlati priznanji Gospodarske zbornice Slovenije Gold Awards, Chamber of Commerce ofSlovenia

36


- Alja` Godec: »Vpliv prostorske restrikcije nanastanek in stabilnost polimorfnih oblik«;mentor: doc. dr. Miran Gaber{~ek

- Uro{ Maver: »Stresalna naprava z modi-ficiranimi polimernimi siti za lo~evanje inanalizo velikosti delcev«; mentor: dr. MarjanBele

- Borut Zupan~i~: »Novi katalizatorji zaasimetri~no hidrogeniranje«; mentorja: dr.Michael Stephan, dr. Barbara Mohar

Pre{ernove nagrade {tudentom Fakulteteza kemijo in kemijsko tehnologijo, Uni-verza v Ljubljani, 8. 12. 2006- Andrej @nidar{i~: »Sinteza prahov in prevlek

na osnovi kalcijevih fosfatov za uporabo vmedicini in farmaciji«; mentor: doc. dr. MiranGaber{~ek, somentor: dr. Marjan Bele

binding within G-quadruplex DNA struc-tures«; mentor: Dr. Janez Plavec, Assist. Prof.

- Alja` Godec: »The influence of spacerestriction on the formation and stability ofpolymorphs«; mentor: Dr. Miran Gaber{~ek,Assist. Prof.

- Uro{ Maver: »New sieving device withmodified polymeic sieves for separation andparticle size analysis«; mentor: Dr. Marjan Bele

- Borut Zupan~i~: »New Catalysts for Asym-metric Hydrogenation«; mentors: Dr. MichaelStephan, Dr. Barbara Mohar

Faculty Pre{eren Prize presented by theFaculty of Chemistry and ChemicalTechnology of the University of Ljubljana,Slovenia for Undergraduate Thesis Work;December 8, 2006:Andrej @nidar{i~: »Synthesis of powders andcoatings based on calcium phosphates forapplication in medicine and pharmaceutics«;mentor: Dr. Miran Gaber{~ek, Assist. Prof.,comentor: Dr. Marjan Bele

Nagrada glavnega mesta Ljubljana The Award of the capital city, Ljubljana

37

Splo{ni sektorGeneral Sector

Zaposleni v splo{nem sektorju

General Sector - Employees

UPRAVA / ADMINISTRATIONIzidor BabnikFrancka DobnikarMuharem Husi}Sa{a LahMarija MerzelVida Petrov~i~Brigita PircJadranka PoènelTanja SveticVelesa Tov{akAndreja Zupan~i~

TEHNI^NE DELAVNICE /TECHNICAL SERVICESVladimir Mrzel (vodja / head)Toni Ambro`Gregor BabnikMarjan SmoleRobert VidmarPavle Vrhovec

RAÛNOVODSTVO, PLAN INANALIZE / ACCOUNTING, PLANNING ANDANALYSESBarbara Dori}Vedrana Goren{ekMaja Miri}Janja Pintari~Irena OblakZlatka SkokRadovan StritihTanja Volov{ek

KNJI@NICA / LIBRARYLilijana GrahLucija KrambergerZdenka Laznik

[TIPENDIJE / SCOLARSHIPSAlen Kljaji~David [arlahPeter Miklavc

38


39

Laboratorij za molekularno modeliranje in NMR spektroskopijoLaboratory for Molecular Modelling and NMR Spectroscopy

L01Laboratorij za molekularno modeliranjein NMR spektroskopijo

Laboratory for Molecular Modelling andNMR Spectroscopy

VODJA / HEADprof. dr. Branko Bor{tnik

RAZISKOVALCI / RESEARCHERSdr. Franc Avbeljdr. Simona Goli~ Grdadolnikdr. Joè Grdadolnikdr. Milan Hodo{~ekdr. Du{anka Janeì~doc. dr. Janez Mavridr. Franci Merzeldr. Ksenija Poljanecdr. Matej Praprotnikdr. Danilo Pumpernikdr. Jernej Stareprof. dr. Toma` [olmajerdr. Gregor Mlin{ekmag. Dragan Lukman[pela Klofutar

MLADI RAZISKOVALCI / YOUNG RESEARCHERSUrban Bor{tnikUrban BrenNejc CarlJanez KoncBorut Tone OblakMihael Sim~i~Tja{a Urbi~Jernej Zidar

TEHNI^NO OSEBJE / TECHNICAL STAFFTatjana KarbaSilva Zagorc

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PODRO^JA DEJAVNOSTIRaziskovalni program P1-0010 (F. Avbelj)Folding in dinamika biomolekularnih sistemov- Raziskave strukture in dinamike biomoleku-

larnih sistemov (proteinov, ligandov, mem-bran in njihovih kompleksov) z jedrsko mag-netno resonanco, vibracijsko spektroskopijoin z ra~unalni{kimi simulacijami (Monte Car-lo, molekulska dinamika);

- {tudij elektrostatskih interakcij, vodikovih vezi,solvatacije (elektrostatsko sen~enje) in hidro-fobnih interakcij v proteinih, v sistemih lig-and-receptor in v sistemih biomolekula-mem-brana;

- {tudij energetike in kinetike zvitja proteinov;

- razvoj algoritmov za napovedovanje sekunda-rnih in tridimenzionalnih struktur proteinov(problem zvitja proteinov »protein foldingproblem«, strukturna genomika);

- konformacijske {tudije novih u~inkovin v pov-ezavi z njihovim biolo{kim u~inkom;

- razvoj metod vibracijske spektroskopije(ra~unanje opti~nih konstant iz refleksijskihin ATR spektrov);

RESEARCH ACTIVITIESResearch program P1-0010 (F. Avbelj)Protein Folding and Dynamics of BiomolecularSystems- Studies of structure and dynamics of biomo-

lecular systems (proteins, ligands, mem-branes, and related complexes) using nucle-ar magnetic resonance, vibrational spectros-copy, and computer simulations (Monte Car-lo, molecular dynamics)

- Studies of electrostatic interactions, hydro-gen bonds, solvation (electrostatic screening),and hydrophobic interactions in proteins, lig-and-receptor and ligand-membrane com-plexes

- Studies of energetics and kinetics of the pro-tein folding process

- Development of algorithms for predictingsecondary and three-dimensional structure ofproteins (protein folding problem, structuralgenomics)

- Conformational studies of novel drugs in re-lation with their biological activity

- Development of new methods for vibration-

41


al spectroscopy (calculation of optical con-stants)

- Studies of hydrogen bonding using experi-mental and theoretical methods

- Development of new methods for conforma-tional studies of molecules by the high-reso-lution nuclear magnetic resonance spectros-copy

- Application of nuclear magnetic resonancespectroscopy and vibrational spectroscopy inchemical analysis

Research program P1-0012 (B. Bor{tnik)Molecular Simulations and Bioinformatics- Quantum chemical calculations of structural

and electronic parameters of molecules andsupramolecular systems.

- Studies of dynamics of formation and decayof intermolecular bonds atom-transfer reac-tions

- Simulation of proton transfer reactions inhydrated systems using the methods of clas-sical and quantum molecular simulations

- Study of endogeneous cancerogenesis

- Bioinformatics and the study of biologicalevolution

- Statistical mechanics

- Structure-based drug design approach is usedfor mechanistic studies of enzyme inhibitionand design of novel bioactive compounds

Research program P1-0002: (D. Janeì~)Computer Simulation of Molecular Structureand DynamicsResearch projects:J1-6331: (D. Janeì~)Computer Algorithms Development for Mac-romolecular SimulationDevelopment and application of methods formolecular modeling:- Symplectic methods for molecular dynamics

simulations of macromolecules

- Combination of molecular dynamics meth-ods, normal mode vibrational analysis, andquasiharmonic analysis of proteins in solu-tions for studying protein hydration

- {tudij vodikovih vezi z eksperimentalnimi inteotetskimi metodami;

- razvoj metod jedrske magnetne resonance zadolo~anje konformacije molekul v teko~ini;

- uporaba vibracijske spektroskopije in jedrskemagnetne resonance v analizne namene.

Raziskovalni program P1-0012 (B. Bor{tnik)Molekulske simulacije in bioinformatika- Kvantno kemijski izra~uni strukturnih in ele-

ktronskih parametrov molekul in supramole-kularnih sistemov;

- {tudij dinamike tvorbe in razpada medmole-kulskih vezi in dinamike reakcij prenosa ato-ma (atom-transfer reactions);

- simulacija prenosa protona v hidratiranih sis-temih z metodami klasi~ne in kvantne mole-kularne dinamike;

- {tudij endogene karcinogeneze;

- bioinformatika in {tudij biolo{ke evolucije namolekularni osnovi;

- statisti~na mehanika;

- racionalno na~rtovanje novih zdravilnihu~inkovin na osnovi strukture receptorja inprou~evanja mehanizma inhibicije encimov.

Raziskovalni program P1-0002 (D. Janeì~)Ra~unalni{ko modeliranje strukture in dinamikemolekulRaziskovalna projekta:J1-6331: (D. Janeì~)Razvoj ra~unalni{kih algoritmov za simulacijemakromolekularnih sistemovJ1-5115: (F. Merzel)Simulacije in strukturna analiza vode ob povr{iniproteinovRazvoj in uporaba metod za molekularno mod-eliranje:- simplekti~ne metode za simulacijo molekul-

ske dinamike makromolekul;

- kombinacije metod simulacije molekulskedinamike, analize po normalnih na~inih ni-hanja in kvaziharmonske analize proteinov vraztopinah za {tudij hidratacije proteinov;

- razvoj in uporaba QM/MM metod;

42


- Development and use of QM/MM methods

- Development of computationally efficientmethods for determining the time-depend-ent electronic structure of molecules basedon the Kohn-Sham formulation of the densi-ty functional theory

- Development and application of quantumchemical and classical approaches for calcu-lating reaction mechanisms, especially calcu-lating the ionic reactions of isocyanides

- Development and use of the RISM formalism

- Development of new and effective networktopologies for connecting personal comput-ers into computational clusters

BIBLIOGRAPHY38 Original Scientific Articles1 Independent Scientific Component Part in

a Monograph1 Interview3 Other Articles or Component Parts

SLIKA 1:

(a) Sekundarna struktura domene 1 aneksina V (ANX

V/1). Oznake od A do E ozna~ujejo karakteristike

vija~nic. ^rne kroglice I-III kaèjo lege treh kalcijevih

ionov. (b) Vezava aneksina z membrano: tri fosfati-

dilserinske molekule v kompleksu z ANX V/1 pove-

zane s tremi kalcijevimi ioni.

FIGURE 1:

(a) Secondary Structure of Annexin V, domain 1 (ANX

V/1). Labels A to E denote the characteristic helices.

Black spheres I–III show the position of three calcium

ions. (b) Prototype of an annexin–membrane bind-

ing: three phosphatidylserine (PS) molecules in com-

plex with ANX V/1 involving three calcium ions.

- razvoj ra~unsko u~inkovitih metod zadolo~anje ~asovno odvisne elektronske struk-ture molekul na osnovi Kohn-Sham-ove for-mulacije teorije gostotnih funkcionalov;

- razvoj in aplikacija kvantno kemijskih inklasi~nih pristopov za izra~un reakcijskihmehanizmov, predvsem za izra~un ionskihreakcij izocianidov;

- razvoj in uporaba formalizma RISM;

- razvoj novih in u~inkovitih ra~unalni{kihtopologij za povezovanje osebnih ra~u-nalnikov v ra~unalni{ke gru~e.

BIBLIOGRAFIJA38 izvirnih znanstvenih ~lankov1 samostojni znanstveni sestavek v mo-

nografiji1 intervju3 drugi ~lanki ali sestavki4 objavljeni znanstveni prispevki na kon-

ferencah

43


4 Published Scientific Conference Contri-butions

31 Published Scientific Conference Contri-bution Abstracts

2 Published Professional Conference Contri-bution Abstracts

10 Invited Lectures at Foreign Universities4 Unpublished Conference Contributions5 Unpublished Invited Conference Lectures1 Undergraduate Thesis4 Journal Editorships

IMPORTANT ACHIEVEMENTS IN 2006The aggregation of amyloid-forming proteins(prions) in fibrils is characteristic of human neu-rodegenerative diseases, including transmissi-ble spongiform encephalitis, type II diabetes,Alzheimer’s and Parkinson’s diseases. The phys-ical background of fibril nucleation is unclear.We presumed that the aggregation into fibrilsis caused by fluctuating β-strands in denaturedproteins. These local structures present a nu-cleus in the denatured state that seeds the non-specific assembly of other parts of a polypep-tide chain into a large β-sheet structure, pre-sumably by a zipper mechanism. We found rel-atively good correlation of the fibrillisation pro-pensity of stefin mutants with the propensityof forming β-strands in the specific regions ofa protein.Derivatives of pyridylethanol (phenethyl)-aminesdisplay high affinities for various receptors; anotable example is the inhibition of cholesterolbiosynthesis in a cell assay. By application ofNMR methods we identified and explained themechanism of a dynamic process due the tonitrogen inversion at the central amine nitro-gen, which is causing an interesting case of thediastereomeric effect in these compounds. Theconformational properties of the diastereomericpair were determined by the analysis of NOEconnectivities and MO calculations.Conformational requirements for antagonistactivity of linear peptide ligands of myelin ba-sic protein were investigated by NMR and mo-lecular modeling methods. These linear pep-

31 objavljenih povzetkov znanstvenih prispev-kov na konferencah

2 objavljena povzetka strokovnih prispevkovna konferencah

10 predavanj na tujih univerzah4 prispevki na konferencah brez natisa5 vabljenih predavanj na konferencah brez

natisa1 diploma4 uredni{tva revij

GLAVNI DOSE@KI V LETU 2006Agregacija prionskih proteinov v fibrile povzro~abolezni, kot so: BSE, diabetes tipa II, Alzhei-merjevo in Parkinsonovo bolezen. Fizikalni ra-zlog za tvorbo fibrilov ni poznan. Postavili smohipotezo, da β-trakovi v denaturiranem stanjutvorijo nukleacijska mesta za nespecifi~no ve-zavo v ve~je β-plasti (β-sheet) s pomo~jo meh-anizma zadrge. Hipoteza temelji na na{em od-kritju, da nekateri predeli proteinov tvorijo iz-tegnjene β-trakove ( β-strand) è v denaturi-ranem stanju. Hipotezo smo potrdili na mutan-tih stefina. Pokazali smo, da obstaja korelacijamed tendenco tvorbe fibrilov in tendenco tvorbeβ-trakov v denaturiranih proteinih.Derivati piridiletanol(fenetil)aminov imajo visokoafiniteto do razli~nih receptorjev. Najpo-membnej{i primer je inhibicija biosinteze ho-lesterola. Z uporabo NMR metod smo identi-ficirali in razloìli mehanizem dinami~nega proc-esa, ki je posledica inverzije centralnega amin-skega du{ika in povzro~a zanimiv primer dias-teromernega efekta pri tej vrsti spojin. Z anali-zo jedrskega Ovehauser-jevega efekta (NOE) inmolekularno orbitalnimi izra~uni smo dolo~ilikonformacijske lastnosti diasteromernega para.[tudirali smo konformacijske zahteve zabiolo{ko aktivnost linearnih peptidnih antago-nistov mielinskega proteina, ki inhibirajo mod-elni eksperimentalni sistem EAE za {tudij sk-leroze multipleks. Z metodami NMR spektro-skopije in molekularnega modeliranja smo iden-tificirali posamezne populacije antagonistov vraztopini, ki so v skladu z NOE kontakti, in jihprimerjali s kristalno strukturo nativnega agon-

44


tides were found to inhibit experimental au-toimmune encephalomyelitis, which is a mod-el system of multiple sclerosis. Distinct popula-tions of antagonist, which are in agreementwith NOE data, were identified and comparedwith the X-ray structure of native agonist in atri-molecular complex with a Human LeukocyteAntigen (HLA-DR2b) and T-cell receptor (TCR).In antagonist different topology of residue Phe98

with respect to native agonist was found. ThePhe98 of the agonist is in a contact with TCR. Itis proposed that the antagonistic activity of in-vestigated peptides may be due to the loss ofsome hydrophobic interactions between thephenyl side chain and TCR, which hinders theactivation of T-cells.The thermodynamic properties of 3-pentade-cylphenol (PDP) and 3-pentadecyl 2-(N-piperi-dine methyl) phenol (PPMP) were investigatedusing vibrational spectroscopy. The PDP lipidforms a medium strong intermolecular H-bond.The PPMP lipid forms a stronger intramolecu-lar H-bond with broad OH stretching. Bothtypes of H-bonds prevent the hydration of lipidfilms. The differences in H-bonding are alsoreflected in the diverse temperatures of themain transition (T

m). In mixtures with dialcyl-

phosphatidylcholine lipid (DPPC), both lipidssignificantly reduce the T

m for DPPC. The OH

group of the PDP lipid strongly interacts withthe phosphate group from DPPC. For PPMP no

SLIKA 2:

Primerjava med eksperimentalno (leva slika) in napo-

vedano 3D strukturo proteina T097.

FIGURE 2:

Comparison between x-ray structure (left) and pre-

dicted 3D structure of protein T097.

ista v trimolekularnem kompleksu s HLA-DR2bin T-celi~nim receptorjem (TCR). Ugotovili smo,da imajo antagonisti druga~no topologijo ami-nokisliniskega ostanka Phe98, kot jo ima nativniagonist. Phe98 agonista je v kontaktu s TCR. Zatopredpostavljamo, da je razlog za antagonisti~nodelovanje raziskanih linearnih peptidov izgubahidrofobne interakcije stranske verge fenilala-nila s TCR, kar prepe~uje aktivacijo T-celic.Z infrarde~o spektroskopijo smo raziskovali ter-modinamske lastnosti monoalkilnih fenolnih li-pidov z dvema razli~nima polarnima glavama(fenol, N-piperidin metil fenol). Pokazali smo,da se v fenolnih lipidih tvori srednje mo~na inter-molekularna vodikova vez. Nasprotno pa je glav-na zna~ilnost lipidov z N-piperidin metil fenolpolarno glavo tvorba mo~ne intramolekularnevodikove vezi med fenolno skupino in du{ikomiz piperidinskega obro~a. Intramolekularnavodikova vez prepre~uje hidratacijo in dolo~atemperaturo glavnega faznega prehoda. V lip-idnih dvoslojih s diacil fosfolipidom se in-tramolekularna vodikova vez v N-piperidin metilfenolu ohrani, medtem ko fenolna OH skupinamo~no veè s fosfatno skupino. Lipidni dvoslojz diacil fosfolipidi pa v obeh primerih znià tem-peraturo faznega prehoda.Pri {tudiju vpliva nizkih temperatur na kratkevodikove vezi med karboksilno skupino vezanekisline in hidratno vodo v kristalnem dihidratusmo opazili v infrarde~ih in ramanskih spektrih

45


such interaction can be observed. Mixing ofPPMP with various amounts of DPPC preservesthe intra-molecular H-bond between the pipe-ridinic nitrogen and the OH group, which ischaracteristic of pure PPMP films.Formation of hydroxonium ions was observedin the low temperature infrared and Ramanspectra of oxalic acid dihydrate crystals. This ledus to investigate the conductivity of the crys-tals. The results show that polarons are formedat temperatures below 150 K. Since electronsas charge carriers are highly unlikely, the onlypossible ones may be the hydroxonium ions.To our knowledge, this is the first example ofpolaron formation with the hydroxonium ionas charge carrier.We studied chemical reactions between vari-ous ultimate carcinogens and DNA (Guanineat position N7). Quantum chemical calcula-tions in conjunction with different solvationmodels yield activation free energies that are ingood agreement with the experiment.These are the first reported calculations of DNAchemical reactivity with the ultimate carcino-gens from the first principles.We studied dynamics of proton transfer proc-ess in hydrogen bonded systems and enzymecenters. Proper description of proton dynamicsrequires quantum dynamical treatment becauseof the quantum nature of nuclear motion. Weworked on the development of the computa-tional methodology. Applications include vibra-tional dynamics of strong intramolecular hydro-gen bonded systems (substituted picolinic acidN-oxides) reflected in vibrational spectra. Thiswork was performed in colaboration with Dr.Hadì who studied the systems experimental-ly. The other application of the methodology isfor the dynamics of proton transfer in enzymelipoxygenase, and this study was performedtogether with Dr. Warshel.We further developed methodology for calcu-lations of free energy differences that are es-sential for studies of binding and reactivity andapplied it to DNA polymerase.

tvorbo hidronijevega iona, kar nas je navedlona meritve prevodnosti. Meritve pri razli~nihfrekvencah so pokazale na tvorbo polaronov.Ker spro{~anje elektronov pri tej snovi ni verjet-no, so o~itno nosilci naboja hidronijevi ioni. Toje po na{em vedenju prvi primer tvorbe polar-onov s temi ioni.Preu~evali smo kemijsko reakcijo med kon~nimikarcinogeni in DNA (gvanin na poziciji N7).Kvantno kemijski izra~uni skupaj z razli~nimisolvatacijskimi modeli dajo aktivacijske energi-je, ki so v skladu z eksperimentom. To so prviizra~uni kemijske reaktivnosti DNA s kon~nimikarcinogeni epoksidnega tipa.Preu~evali smo dinamiko prenosa protona vvodikovo vezanih sistemih in encimskih centrih.Zanesljive simulacije dinamike protona zahteva-jo kvantno dinamsko obravnavo zaradi kvantnenarave gibanja jeder. Razvijali smo ra~unskometodologijo za tovrstne simulacije. Metod-ologijo smo uporabili za {tudij vibracijske di-namike vodikovo vezanih sistemov (substituiraniN-oksidi pikolinske kisline), ki se odraàjo v vi-bracijskih spektrih. Delo je potekalo v sodelovan-ju s prof. Hadìjem, ki je vodil eksperimentalnidel raziskav. Razvito metodologijo smo upora-bili za simulacijo prenosa vodika v encimu lipok-sigenaza skupaj z dr. Warshelom.Delali smo na razvoju metodologije izra~unovproste energije v biolo{kih sistemih in aplikaci-jah metodologije na DNA polimerazi.Preu~evali smo asimetrijo to~kovnih mutacijmed pribli`no tridesetimi milijoni spremembnukleotidov, ki lo~ijo ~loveka od {impanza. Anal-iza je pokazala, da so tranzicije (zamenjaveznotraj razreda purinov oziroma pirimidinov){tirikrat bolj pogoste kot transverzije (zamen-jave purinov s pirimidini). Ugotovili smo tudi,da tranzicije bogatijo ~love{ki genom z nukle-otidi, ki so v DNA vija~nici povezani s trojnovodikovo vezjo (citozin in gvanin), neto u~inektranzicij pa je ravno nasproten.V okviru dela na raziskovalnem programu P1-0002 smo v letu 2006 objavili 14 originalnihznanstvenih ~lankov, od tega 10 v SCI revijah,od katerih jih je 6 v SCI revijah iz prvega kvarti-

46


The asymmetry of point mutations, which oc-curred in primate lineage since the last com-mon ancestor to human and chimpanzee, wasstudied. It was found that transitions (the in-terchanges within purines or within pyrimidines)are approximately four times more probablethan transversions (the replacements of purineswith pyrimidines, or vice-versa).It was also found that the net effect of transi-tions contributes to a higher level of nucle-otides, which are bound by three hydrogenbonds in DNA (citosine and guanine), while thetransversions have an opposite effect.As part of the work under the research pro-gram P1-0002, we published 14 original sci-entific articles, 10 of which appear in SCI jour-nals and 6 of which are in the first quartile ofSCI journals. Some of the major achievementsare the following:For accurate classical molecular dynamics (MD)simulations of the calcium mediated boundcomplexes of annexin and membrane we havedeveloped new force-field parameters correct-ly describing the interaction of the Ca ion with

SLIKA 3:

V zadnjih {estih milijonih let ~love{ke evolucije se je

genetski zapis v ~love{kem genomu spremenil za

kak{en odstotek, vsebnost {tirih nukleotidov (adeni-

na, citozina, gvanina in timina) pa se je manj spre-

menila. Slika prikazuje smeri neto izmenjav med {tiri-

mi nukleotidi, ki ne bi, ~e bi bili vsi pretoki enaki,

spreminjali sestave genoma.

FIGURE 3:

During the last six million years of human evolution

the nucleotide sequences defining the human ge-

nome changed by approximately one percent while

the composition in terms of four nucleotides (ade-

nine, cytosine, guanine and thymine) witnessed less-

er change. The figure shows the directions of net

mutational flows between four nucleotides. If all the

flows would be equal, the composition of the hu-

man genome would not change.

la. Nekateri glavni dose`ki so naslednji.Za potrebe relevantnih simulacij aneksina, ki seveè na membrano preko kalcijevih ionov, smorazvili nove parametre za potencialno polje, kiopisuje interakcijo kalcijevih ionov z okolico. Spomo~jo kvantno kemijskih ra~unov smodolo~ili potencialne ploskve za kalcijeve ione vtreh razli~nih vezavnih mestih, ki so zna~ilni zadomeno 1 aneksina V (ANX V/1). Na podlagiteh izra~unov smo dolo~ili strukturo vezavnihmest, kvantificirali polarizacijo naboja na atomihv vezavnem mestu ter dolo~ili konstante sil zaharmonsko sklopitev med Ca ioni ter bli`njimikisikovimi atomi, ki smo jo vpeljali, da bi mini-mizirali razliko med klasi~nim in kvantnim po-tencialnim poljem. Pokazali smo, da je z upo-rabo modificiranega potencialnega polja zakalcijeva vezavna mesta mogo~e izvajati MDsimulacije na veliki ~asovni skali, ki ohranjajostrukturne elemente aneksina, kar je neobhod-no potrebno za {tudij delovanja tega proteina.Razvili smo nov algoritem za izra~un topiludostopne molekulske povr{ine (MS) in grafi~nira~unalni{ki program za gibanje po molekulski

47


its environment. We have used quantum chem-ical calculations to investigate the potentialenergy surface experienced by the Ca ion with-in the three different binding sites found indomain 1 of annexin V (ANX V/1). Based onthese calculations we were able to quantify thecharge polarization of atoms within the bind-ing sites and to determine the geometry andforce constants of harmonic restraints betweena Ca ion and its coordinating oxygen atoms.Harmonic restraints were introduced to com-pensate for the deviations between the quan-tum mechanical potential energy surface andthat of the classical force field. Our analysis hasshown that using the refined force field for theCa binding sites enables long-time MD simula-tions that conserve the initial structure of ANXV/1 significantly better than MD simulationsusing the standard force field.We designed a new algorithm to compute asolvent accessible molecular surface (MS) anda graphical computer program for a molecularsurface walk. The surface is generated by roll-ing a spherical probe representing a solventmolecule over the atoms of the investigatedmolecule. We use this surface representationin a graphical computer program MS walk toachieve a new way of viewing the molecules.The advantage of the MS walk approach is thatthe molecular cavities, only partially visible byusing other methods, can be inspected. Ouralgorithm’s performance is comparable to thatof similar existing algorithms and its time con-sumption grows linearly with the number ofatoms. The MS algorithm and the MS walk pro-gram can be accessed through the Web (http://www.cmm.ki.si/konc/ms_walk).In collaboration with the Max Planck Institutefor polymer research, Mainz, Germany we areworking on the development of a new adap-tive resolution technique for efficient particle-based multi-scale molecular dynamics (MD) sim-ulations. The presented approach is tailor-madefor molecular systems where atomistic resolu-tion is required only in spatially localized do-mains whereas a lower mesoscopic level of de-

povr{ini. Povr{ino dobimo s kotaljenjem krogle,ki predstavlja molekulo topila, prek atomovopazovane molekule. Z uporabo tako dobljenepovr{ine v grafi~nem ra~unalni{kem programu»MS walk« doseèmo nov pogled na molekule.Prednost »MS walk« pristopa je, da lahko opa-zujemo votline v molekuli, ki so z drugimi me-todami le delno vidne. Na{ algoritem, ~igar~asovna zahtevnost raste linearno s {tevilomatomov v molekuli, je primerljiv s podobnimiobstoje~imi algoritmi. MS algoritem in »MSwalk« program sta dostopna na spletnem naslo-vu (http://www.cmm.ki.si/konc/ms_walk).V sodelovanju z Max-Planck institute for poly-mer research v Mainzu, Nem~ija delamo na raz-voju adaptivne hibridne simulacijske sheme(Adaptive Resolution Scheme) za u~inkovite hi-bridne atomsko/mezoskopske simulacije mole-kulske dinamike. Simulacije molekulske di-namike, kjer obravnavamo celoten sistem naatomski skali, so zaradi velikega {tevila prosto-stnih stopenj izredno ra~unsko zahtevne. Edenod mo`nih pristopov, kako zmanj{ati ra~unskozahtevnost, je opis sistema na mezoskopski ska-li, kjer skupino atomov zdruìmo v en sam delec.S tem znatno zmanj{amo {tevilo prostostnihstopenj v sistemu, vendar hkrati izgubimo vezdo opisa specifi~nih kemijskih lastnosti sistema,za katerega potrebujemo atomsko resolucijo.Edinstvena lastnost novega pristopa je, da do-voljuje dinami~no spreminjanje {tevila molekul-skih prostostnih stopenj. Na ta na~in lahkospreminjamo med atomsko in mezoskopskoresolucijo opisa sistema med samim potekomsimulacije molekulske dinamike. To namomogo~a obravnavo le tolik{nega {tevila pros-tostnih stopenj, kot je nujno potrebno za danisistem. Ta pristop je zato idealen za moleku-larne sisteme, kjer je atomska resolucija potreb-na le v nekaterih delih sistema, medtem ko zapreostanek sistema zadostuje mezoskopski opisz ni`jo stopnjo podrobnosti. Na ta na~in lahkoobravnavamo dolge krajevne in ~asovne skale,pri ~emer se nam ni treba odpovedati opisu sis-tema na atomski skali, kjer je to potrebno.U~inkovitost novega pristopa je prikazana na

48


tail is sufficient for the rest of the system. Thekey feature of the new approach is that it al-lows for a dynamic change in the number ofmolecular degrees of freedom during the courseof an MD simulation by on-the-fly switchingbetween the atomistic and mesoscopic levelsof detail. This enables us to reach large lengthand time scales while spatially retaining atom-istic details of the system. The efficiency of thenew approach is demonstrated on a model sys-tem composed of a liquid of tetrahedral mole-cules that represents a typical soft matter sys-tem, e.g. colloidal system, methane, etc. Thesimulation box is divided into two regions: onecontaining only atomistically resolved tetrahe-dral molecules, the other containing only oneparticle of coarse-grained spherical molecules.The molecules can freely move between the tworegions while changing their level of resolutionaccordingly. The coarse-grained and the atom-istically resolved systems have the same statis-tical properties.In the period from 15 to 17 February 2006, wehave organized a three day seminar entitled:Writing Scientific Papers, held by Dr. GeorgeW.A. Milne of National Institutes of Health,Bethesda, Maryland (USA). The seminar wasattended by 80 participants daily. Dr. Milne alsoheld these seminars at the Rudjer Bo{kov} In-stitute in Zagreb and at the Faculty for Chemis-try, University of Ljubljana.Dr. Du{anka Janeì~ is an Associate Editor ofthe Journal of Chemical Information Modeling,An American Chemical Society Publicationsjournal.Dr. Milan Hodo{~ek is a coauthor and develop-er of the widely used computer program formolecular modeling – CHARMM (Chemistry atHARvard Molecular Mechanics).

COLLABORATION WITH INDUSTRIAL ANDOTHER PARTNERSIn collaboration with Lek d.d., Ljubljana, Slove-nia - a recent acquisition of Sandoz, we devel-op novel chemical entities (NCE’s) and we alsocollaborate on research projects for processing

modelskem sistemu teko~ine tetraedri~nihmolekul, ki predstavlja tipi~en sistem mehkesnovi, t.j. koloidni sistem, metan itd. Simulaci-jska {katla je razdeljena na dve obmo~ji: enoobmo~je vsebuje le tetraedri~ne molekule zatomsko resolucijo, drugo pa le enodel~nemolekule, ki predstavljajo ustrezen mezoskop-ski model tetraedri~ne molekule. Molekule lahkoprosto prehajajo med obema obmo~jema, pri~emer se ustrezno spreminja stopnja resoluci-je, s katero so opisane. Ta hibridni modelteko~ine ima iste statisti~ne lastnosti kot ust-rezen referen~ni atomski sistem, v katerem sovse molekule opisane na atomskem nivoju.V ~asu od 15. do 17. februarja 2006 smo or-ganizirali tridnevni seminar z naslovom: Writ-ing Scientific Papers, ki ga je vodil dr. GeorgeW. A. Milne iz National Institutes of Health,Bethesda, Maryland (ZDA), ki je od januarja doseptembra 2006 deloval v okviru na{e program-ske in projektne skupine kot uveljavljeni razisk-ovalec. Seminarja se je vsak dan udeleìlo ve~kot 80 slu{ateljev. Dr. George W. A. Milne jeimel tudi seminarje in predavanja na In{titutuRudjer Bo{kovi~ v Zagrebu in dvodnevni semi-nar na Fakulteti za kemijo in kemijsko tehnolog-ijo, Univerza v Ljubljani.Dr. Du{anka Janeì~ je urednica (Associate Edi-tor) revije Journal of Chemical Information andModeling, An American Chemical Society Pub-lications.Dr. Milan Hodo{~ek je soavtor in razvijalec na-jbolj uporabljanega ra~unalni{kega programaza molekularno modeliranje – CHARMM(Chemistry at HARvard Molecular Mechanics).

SODELOVANJE Z INDUSTRIJSKIMI IN DRU-GIMI PARTNERJIV sodelovanju s firmo Lek d.d., Ljubljana, dela-mo na projektih raziskav novih u~inkovin in naprojektih raziskav za obdelavo NMR (jedrskamagnetna resonanca) spektrov in moleku-larnega modeliranja kot pomo~ pri interpretacijiNMR spektrov.Sodelujemo z Institutom Joèf Stefan, Medicin-sko fakulteto Univerze v Ljubljani, Fakulteto za

49


matematiko in fiziko Univerze v Ljubljani,Biotehni{ko fakulteto Univerze v Ljubljani, Filo-zofsko fakulteto Univerze v Ljubljani, Fakultetoza ra~unalni{tvo in informatiko Univerze vLjubljani, Univerzo na Primorskem, Koper.

MEDNARODNO SODELOVANJESodelujemo v mednarodni delovni skupini Mi-crosatellite Consortium, ki ga financira Evrop-ska komisija, vodi pa jo prof. David Collier sKing’s Collegea v Londonu, Velika Britanija.Kemijski in{titut, Center za molekularno mode-liranje in RIKEN Yokohama Institute, High Per-formance Molecular Simulation Team, Japons-ka sta podpisala tri letni sporazum o znanstvenoraziskovalnem sodelovanju (Collaborative Re-search Agreement) na podro~ju razvoja namen-ske strojne in programske opreme za izvajanjesimulacij molekulske dinamike biolo{kih makro-molekul. Na slovenski strani je odgovorna nosil-ka projekta dr. Du{anka Janeì~, glavni izvaja-lec pa dr. Milan Hodo{~ek. Tovrstno sodelovan-je potrjuje, da smo med vodilnimi svetovnimirazvijalci vzporednih ra~unalni{kih gru~ za iz-vajanje vzporednih simulacij molekulske di-namike velikih sistemov, ki jih uspe{no uvaja-mo v Sloveniji in s {irokim mednarodnimsodelovanjem tudi slovenskim raziskovalcemomogo~amo dostopnost do vrhunske strojnein programske opreme.Sodelujemo na financiranih bilateralnih projek-tih, katerih odgovorna nosilka je dr. Du{ankaJaneì~, z raziskovalci iz naslednjih dràv:- z ZDA, dr. Bernard R. Brooks, National Insti-

tutes of Health, Bethesda, MD

- s Hrva{ko, dr. Sonja Nikoli}, Institut RudjerBo{kovi}, Zagreb

- s Hrva{ko, dr. Sanja Tomi}, Institut RudjerBo{kovi}, Zagreb

- s Tur~ijo, dr. Gamze Tanoglu, Izmit Instituteof Technology, Izmir

- z Romunijo, dr. Mircea Diudea, University ofCluj, Cluj

- z Madàrsko, dr. Istvan Lukovits, Chemical Re-search Center, Hungarian Academy of Scienc-

NMR spectra using molecular modelling ap-proaches.We collaborate with Institute Joèf Stefan, Slov-enia, Faculty of Medicine, The Faculty of Math-ematics and Physics, The Biotechnical faculty,The Faculty of Arts, The Faculty of Computerand Information Science (all members of Uni-versity of Ljubljana, Slovenia) and University ofPrimorska, Koper, Slovenia.

INTERNATIONAL COLLABORATIONWe collaborate with the international workinggroup, Microsatellite Consortium, which is fi-nanced by the European Commission, in theframework of a specific support action coordi-nated by Prof. David Collier at King’s CollegeLondon, United Kingdom.National Institute of Chemistry, Center for Mo-lecular Modeling and RIKEN Yokohama Institute,High Performance Molecular Simulation Team,Japan have signed a three year collaborativeresearch agreement on computer hardware andmolecular dynamics simulation methods devel-opment. The principal investigator in Sloveniais Dr. Du{anka Janeì~, and the chief personnelis Dr. Milan Hodo{~ek. Such collaboration provesthat we are among the leading developers ofparallel computer clusters to be used for mo-lecular dynamics simulations of large systemsthat we successfully introduced to Slovenia.We collaborate on financed bilateral projects(Dr. Du{anka Janeì~) with researchers from thefollowing countries:- USA, Dr. Bernard R. Brooks, National Institutes

of Health, Bethesda, MD

- Croatia, Dr. Sonja Nikoli}, Institute RudjerBo{kovi}, Zagreb

- Croatia, Dr. Sanja Tomi}, Institute RudjerBo{kovi}, Zagreb

- Turkey, Dr. Gamze Tanoglu, Izmit Institute ofTechnology, Izmir

- Romania, Dr. Mircea Diudea, University of Cluj,Cluj

- Hungary, Dr. Istvan Lukovits, Chemical Re-search Center, Hungarian Academy of Scienc-es, Budapest

50


es, Budimpe{ta

POMEMBNI IN[TRUMENTI IN OPREMA- NMR spektrometri v okviru Slovenskega NMR

centra

- FTIR spektrometer Bruker IFS 66S

- PE 2000 NIR Ramanski spektrometer

- izgradili smo vzporedno ra~unalni{ko gru~oVRANA 10, ki jo sestavlja 32x2 AMD Dual-core Opteron 265 procesorjev povezanih zGigabitnimi stikali.

IZOBRA@EVANJE IN OBISKI / GOSTOVANJA- Dr. George W. A. Milne iz National Institutes

of Health, Bethesda, Maryland (ZDA) je bilod januarja do septembra 2006 gostujo~iraziskovalec v okviru programske skupine P1-0002.

- Dr. Franci Merzel je bil izvoljen v naziv do-centa na Fakulteti za matematiko in fiziko,Univerza v Ljubljani.

- Dr. Matej Praprotnik je na podoktorskem iz-popolnjevanju na Max-Planck Institute for Pol-ymer Research v Mainzu, Nem~ija.

Mladi raziskovalci (mentorica dr. Du{ankaJaneì~):- Urbanu Bor{tniku je bila odobrena doktors-

ka tema na Fakulteti za ra~unalni{tvo in in-formatiko, Univerza v Ljubljani;

- Janezu Koncu je bil odobren direktni prehodna doktorski {tudij na Fakulteti za farmacijo,Univerza v Ljubljani;

- Nejc Carl je prejel {tudentsko Pre{ernovo na-grado na Fakulteti za kemijo in kemijsko teh-nologijo, Univerza v Ljubljani.

MAJOR EQUIPMENT- NMR spectrometers at Slovenian NMR Cent-

er

- FTIR spectrometer Bruker IFS 66S

- PE 2000 NIR Raman spectrometer

- We have built the parallel computer cluster,CROW 10 that is composed of 32x2 AMDDual-core Opteron 265 processors connect-ed with Gigabit Switches.

EDUCATION AND IMPORTANT VISITS- Dr. George W. A. Milne of National Institutes

of Health, Bethesda, Maryland (USA) was aguest researcher from January to Septemberon our program team.

- Dr. Franci Merzel obtained the title “docent”at The Faculty of Mathematics and Physics,University of Ljubljana.

- Dr. Matej Praprotnik is on leave at the Max-Planck Institute for Polymer Research, Mainz,Germany.

Young researchers (mentor Dr. Du{ankaJaneì~):- Urban Bor{tnik’s Ph.D. thesis defense was

approved at The Faculty of Computer andInformation Science, University of Ljubljana,

- Janez Konc’s Ph.D. thesis subject was ap-proved at The Faculty of Pharmacy, Universi-ty of Ljubljana,

- Nejc Carl was awarded the Pre{eren studentsaward at the Faculty of Chemistry and Chem-ical Technology, University of Ljubljana.

51

Laboratorij za spektroskopijo materialovLaboratory for Spectroscopy of Materials

L02Laboratorij za spektroskopijo materialov

Laboratory for Spectroscopy of Materials

VODJA / HEADProf. dr. Boris Orel

RAZISKOVALCI / RESEARCHERSdr. Zorica Crnjak Oreldr. Marta Klanj{ek Gundedr. Angela [urca Vukdr. Lidija Slemenik Per{edr. Robi Je{e

MLADI RAZISKOVALCI/YOUNG RESEARCHERSJelica VinceVasko JovanovskiMojca FirMarko BitencNina HauptmanMatja` KoèljIvan Jerman

TEHNI^NO OSEBJE / TECHNICAL STAFFHelena SpreizerPetra Jamnik ({tudentsko delo / student work)

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PODRO^JA DEJAVNOSTIGlavni poudarek je bil na razvoju komponentza energetske sisteme, ki izkori{~ajo son~nosevanje, in nanokompozitnih materialov zadruge aplikacije:- trdni elektroliti na osnovi kondenziranih

ionskih teko~in za Grätzlove fotoelektro-kemijske celice in za elektrokromna (pametna)opti~no preklopna okna;

- ve~funkcionalne nanokompozitne prevleke zatekstil, beton in kovine;

- spektralno selektivne barvne prevleke zakolektorske sisteme in fasade;

- nanostrukturne plasti;

- razvoj analiznih in eksperimentalnih pristopovza raziskave strukture materialov, opti~nihlastnosti (barva, termi~na emisivnost) inpovr{inskih lastnosti (plazemske tehnologije).

BIBLIOGRAFIJA10 izvirnih znanstvenih ~lankov1 pregledni znanstveni ~lanek2 strokovna ~lanka1 poljudni ~lanek

RESEARCH ACTIVITIESIn 2006, we continued with the developmentof materials for energy systems exploiting solarradiation and nanocomposite materials forother applications:- solid electrolytes on the basis of condensed

ionic liquids for photoelectrochemical Grätzelcells and electrochromic (smart) switchablewindows;

- spectrally selective coloured paint coatingsfor collector systems and facades;

- multifunctional nanocomposite impregna-tion for textile, concrete and metal;

- nanostructured layers;

- the development of analytical and experimen-tal approaches for the investigation of struc-ture of various materials, optical properties(colour, thermal emisivity) and surface prop-erties (plasma technology).

BIBLIOGRAPHY10 Original Scientific Articles1 Review Article2 Professional Articles

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4 srednje{olski, osnovno{olski ali drugiu~beniki z recenzijo

3 priro~niki, slovarji, leksikoni, atlasi,zemljevidi

4 objavljeni znanstveni prispevki nakonferencah (vabljeno predavanje)

7 objavljenih znanstvenih prispevkov nakonferencah

1 objavljeni strokovni prispevek nakonferenci

18 objavljenih povzetkov znanstvenihprispevkov na konferencah

2 objavljena povzetka strokovnih prispev-kov na konferencah

1 patentna prijava1 prispevek na konferenci brez natisa2 kon~ni poro~ili o rezultatih raziskav1 elaborat, pred{tudija, {tudija2 diplomi2 doktorata

1 Popular Article4 Reviewed Secondary and Primary School

Textbooks or Other Textbooks3 Manuals, Dictionaries, Lexicons, Atlas,

Maps4 Published Scientific Conference Contribu-

tions (Invited Lecture)7 Published Scientific Conference Contribu-

tions1 Published Professional Conference

Contribution18 Published Scientific Conference Contribu-

tion Abstracts2 Published Professional Conference

Contribution Abstracts1 Patent Application1 Unpublished Conference Contribution2 Final Research Reports1 Treatise, Preliminary Study, Study2 Undergraduate Theses2 Doctoral Dissertations

SLIKA 1:

Spektrometer Perkin-Elmer Lambda 950 UV/VIS/NIR.

FIGURE 1:

Spectrometer Perkin-Elmer Lambda 950 UV/VIS/NIR.

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GLAVNI DOSE@KI V LETU 2006Z nabavo spektrometra Lambda 950 (Perkin-Elmer) smo uspeli v L02 kvalitetno pokritispektroskopijo materialov v celotnem opti~nempodro~ju elektromagnetnega spektra (175 nm– 3300 nm UV-VIS-NIR in 1 mm – 30 mm NIR-IR-Far IR). Tako lahko opravljamo spektroskopskeraziskave, ki vklju~ujejo interakcijo elektro-magnetnega valovanja z energijo med 7.1 eVin 0.04 eV. Poleg analize {tevilnih snovnihparametrov smo dobili tudi mo`nost spektro-skopskega merjenja absorpcije son~ne svetlobein barvnometri~nih lastnosti vzorcev. Tako so seodprle mo`nosti novih raziskav, za katere smobili prej znatno vezani na zunanje ponudnike.Spektroskopska znanja v povezavi s pozna-vanjem snovnih lastnosti so nepogre{ljiva priraziskavah uporabe plazemskih tehnologij. Stemi znanji in z u~inkovito uporabo vrsti~neelektronske mikroskopije smo smiselno nadgra-dili projekte uporabe plazme za obdelavosodobnih kompozitov na kerami~ni osnovi inza biokompatibilne materiale.Uporabo metod barvne metrike smo izpremaznih sistemov raz{irili na barvni videzsvetlobe, ki se variabilno spreminja. Tu smodolgoletno raziskovalno delo laboratorija napodro~ju kromogenih materialov in njihoveuporabe za preklopna okna nadgradili znjihovim vplivom na svetlobne razmere vkonkretnem ambientu. Problematika odpiraopis mo`nosti variabilne svetlobe za pripravou~inkovitih svetlobnih efektov in za hkratnoustrezno uporabo barv objektov v interieru.

IMPORTANT ACHIEVEMENTS IN 2006In 2006, we bought a Lambda 950 UV-VIS-NIRspectrophotometer (Perkin-Elmer). This enablesus, together with spectrofotometers for theinfrared region, to perform advanced spectro-scopic studies all over the optical part of theelectromagnetic spectrum for wavelengthsfrom 175 nm up to 3300 nm (UV-VIS-NIR) andfrom 1 mm to 30 mm (NIR-IR-FarIR). The broadspectral region includes interactions of a sub-stance with electromagnetic energy in the re-gion 7.1 – 0.04 eV. It gives us the opportunityto study plenty of different material properties,including solar absorption and colorimetric dataevaluation. New research possibilities are there-fore opened for the future. Spectroscopy and broad knowledge of mate-rial properties are important in the advancedapplication of plasma technologies. Togetherwith scanning electron spectroscopy we con-tribute considerably to the efficient practical useof cold plasma in different types of compos-ites.The up-to-date methods of colorimetry weresuccessfully applied in a colour rendering studyof continuously variable light. Our year-longresearch of chromogenic materials and its ap-plication on switchable windows was expandedto their influence on light properties in the in-terior of a building with such windows. Thecurrently accomplished research shows possi-bilities of using variable light for preparing sev-eral light-show effects in a simple and energy-

SLIKA 2:

Uporaba hidrofobnih nanokompozitnih materialov za

impregnacijo bomba`nih tkanin: SEM posnetki

neimpregniranih in impregniranih bomba`nih vlaken

z PDMSU (J. Vince et al., Langmuir, 2006, 22, 6489-

6497).

FIGURE 2:

The use of hydrophobic nanocomposite materials for

the impregnation of cotton fabrics: SEM micrographs

of non-impregnated and impregnated cotton fab-

rics with PDMSU (J. Vince et al., Langmuir, 2006, 22,

6489-6497).

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Poznavanje metod barvne metrike in razmero-ma enostavne optike v povezavi z delovanjemo~esa je privedlo tudi do razvoja metod zana~rtovanje kamufla`nih poslikav na objektih,ki jih èlimo zliti z opti~nim vtisom okolice. Teizrazito interdisciplinarne raziskave potekajo vsodelovanju z naravoslovnotehni{ko fakulteto,Oddelek za tekstilstvo.Osnova za raziskave nanokompozitov sopostopki sol-gel kemije, ki smo jih v letu 2006raz{irili na pripravo funkcionaliziranih poliedri~-nih silseskvioksanov (POSS). Dodatek le-teh vrazli~ne polimerne sisteme (selektivne barve,ionske prevodnike ...) izbolj{uje njihovotermi~no stabilnost, trdoto (easy-to-cleanprevleke), hidrofobnost in oleofobnost. Z njimismo uspeli hidrofobizirati tekstil, beton inza{~itili Al-Cu zlitino proti koroziji.Nadaljevali smo s pripravo nanomaterialov sposebnim poudarkom na doseganju specifi~nihmorfolo{kih lastnosti, kot so na primernanodelci in nanoìce, {e posebno v povezavi zbakrovimi oksidi.

SODELOVANJE Z INDUSTRIJSKIMI INDRUGIMI PARTNERJI- Color d.d., Medvode; razvoj premazov za

son~ne zbiralnike in fasade (sodelovanje vokviru Solabs projekta Evropske unije insamostojnega projekta Ministrstva zaobrambo Republike Slovenije).

- Fotona d.d., Ljubljana; razvoj nizkoemitivnihkamufla`nih premazov za tanke (sodelovanjev okviru samostojnega projekta Ministrstvaza obrambo Republike Slovenije).

- Trimo d.d., Trebnje; Barvni selektivni –energetsko u~inkoviti premazi za »Solarnipanel Trimoterm« (sodelovanje v okviruprojekta SEONES – Razvoj sistemov zanizkoenergijske stavbe, 2006–2007).

- Univerza v Ljubljani, Naravoslovnotehni{kafakulteta in Tekstina, tekstilna industrijaAjdov{~ina, d.d.; razvoj ve~funkcionalneza{~itne tekstilije za voja{ke uniforme(sodelovanje v okviru samostojnega projekta

efficient way. The methods were also proposedto choose suitable colours for objects in theinterior.The colorimetric methods, when combined withrelatively simplified optical properties of thehuman eye (to get the optical performance ofan average observer) give us some new ideasfor developing camouflage patterns. The de-velopment of camouflage patterns for a typi-cal urban area is being performed in coopera-tion with University of Ljubljana, Faculty ofNatural Sciences and Technology, Departmentof Textiles.The basis for the development of nano-composite materials are the sol-gel synthesisroutes, which in 2006 were expanded on thepreparation of functionalised polyedricsilsesqvioxanes (POSS). Their addition into vari-ous polymeric systems (selective paints, ionicconductors...) improved their thermic stability,hardness (easy-to-clean coatings), hydro-phobicity and oleophobicity. We succeeded tohydrophobise textile, concrete and Al-Cu alloywith the use of POSS.We continued with the preparation of nano-materials with the special stress on the achieve-ment of specific morphological properties asfor example, nanoparticles and nanowires,mostly with copper oxides.

COLLABORATION WITH INDUSTRIAL ANDOTHER PARTNERS- Color d.d., Medvode, Slovenia; development

of paint coatings for solar collectors and fa-cades (cooperation in the frame of Solabsproject of European union and project of theMinistry of Defence in Republic of Slovenia)

- Fotona d.d., Ljubljana, Slovenia; developmentof low-emitting camouflage paints for tanks(cooperation in the frame of project of theMinistry of Defence in Republic of Slovenia)

- Trimo d.d., Trebnje, Slovenia; Colour selec-tive – energy efficient paints for “Solar panelTrimoterm” (cooperation in the frame ofprojecta SEONES – Development of Systemsfor Low-energy Buildings, 2006-2007)

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Ministrstva za obrambo Republike Slovenije).

- Center odli~nosti »Nanoznanosti in nanoteh-nologije« (CO NIN – RPR), Nanomateriali velektrokemijskih sistemih.

MEDNARODNO SODELOVANJE- Development of unglazed solar absorbers (re-

sorting to coloured selective coatings on steelmaterial) for building facades and integrationinto heating systems (SOLABS), [t. pogodbeN° ENK6-CT-2002-00679, RTD projekt, 1. 1.2003 – 30. 6. 2006 (dr. B. Orel).

- Polymer Electrolytes and Non Noble MetalElectrocatalysts for High Temperature FuelCells (APOLLON-B), STREP EU projekt, 1. 10.2006 – 30. 9. 2009 (dr. S. Ho~evar).

- Polymeric Materials for Solar Thermal Appli-cations, International Energy Agency (IAE),sprejet projekt (december 2005), pro{nja zapridruèno sodelovanje.

- University of Ljubljana, Slovenia, Faculty ofNatural Sciences and Engineering andTekstina, textile industry d.d., Ajdov{~ina,Slovenia; Development of multifunctionalprotection for textiles for military uniforms(cooperation in the frame of project of theMinistry of Defence in Republic of Slovenia)

- Centre of excellence “Nanoscience andnanotechnologies” (CO NIN – RPR), Nano-materials in electrochemical systems

INTERNATIONAL COLLABORATION- Development of unglazed solar absorbers (re-

sorting to coloured selective coatings on steelmaterial) for building facades and integra-tion into heating systems (SOLABS), ContractN° ENK6-CT-2002-00679, RTD project,1.1.2003-30.6.2006 (Dr. B. Orel).

- Polymer Electrolytes and Non Noble MetalElectrocatalysts for High Temperature FuelCells (APOLLON-B), STREP EU project, 1. 10.

SLIKA 3:

Priprava hidrofobnega premaza za barvne solarne

kolektorje z dodatkom nanokompozitov (POSS).

FIFURE 3:

Preparation of hydrophobic polymer resin for solar

absorber paint coatings by the addition of nano-

composites (POSS).

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- Mreà odli~nosti: Nanostructured and Func-tional Polymer-based materials and Nano-composites, Proposal No. NOE 500361-2 (dr.Z. Crnjak Orel).

- Raziskave neurejenih materialov: nano opti~ninanosi, Bilateralno sodelovanje Slovenija–Hrva{ka, 2004–2006, Rudjer Boskovi~ (dr. Z.Crnjak-Orel).

- Priprava in karakterizacija uniformnih delcev,Bilateralno sodelovanje Slovenija–ZDA,Clarkson University (dr. Z. Crnjak-Orel).

- [tudij strukturnih lastnosti sol-gel materialovz nizko emitivnostjo z IR spektroskopijo,Bilateralno sodelovanje Slovenija–Indija, 10.10. 2006 – 31. 12. 2007, Central Glass &Ceramic Research Institute, Sol-Gel Division,Kalkuta (dr. Angela [urca Vuk).

· Sinteze me{anih sistemov na osnovi titano-vega oksida: strukturne, elektrokemijske inpovr{inske lastnosti, Bilateralno sodelovanjeSlovenija–Italija, 1. 3. 2006 – 31. 2. 2009,University of Trento, Trento (dr. Angela [urcaVuk).

- CIE, Division 1 (dr. M. Klanj{ek Gunde, uradna~lanica).

- CIE, Division 2, TC2-53 Multi-geometry colormeasurements of effect materials (dr. M.Klanj{ek Gunde, ~lanica).

- CIE, Division 1, TC1-66 Indoor daylight illu-minant (dr. M. Klanj{ek-Gunde, ~lanica).

POMEMBNI IN[TRUMENTI IN OPREMA- FT-IR spektrometer Bruker IFS 66/S

- FT-IR in FT-Raman spektrometer Perkin Elmer2000

- Hewlett-Packard 8453 UV-VIS spektro-fotometer z diodnim nizom

- AUTOLAB PGSTAT30 in EG&G PAR 273potenciostat/galvanostat

- Spektrometer Lambda 950 UV/VIS/NIR

IZOBRA@EVANJE IN OBISKI / GOSTOVANJA- Robi Je{e: Strukturne in spektroskopske

2006 – 30. 9. 2009 (Dr. S. Ho~evar).

- Polymeric Materials for Solar Thermal Appli-cations, International Energy Agency (IAE),accepted project (December 2005), applica-tion for associated cooperation.

- Network of excellence: Nanostructured andFunctional Polymer-based materials andNanocomposites, Proposal No. NOE 500361-2 (Dr. Z. Crnjak Orel).

- Development of disordered materials: nanooptical coatings, Bilateral cooperationSlovenia-Croatia, 2004-2006, Insitute RudjerBo{kovi~ (Dr. Z. Crnjak-Orel).

- Preparation and characterisation of uniformparticles, Bilateral cooperation Slovenia-USA,Clarkson University (Dr. Z. Crnjak-Orel).

- Investigation of structural properties of sol-gel materials with low emissivity with IRspectroscopy, Bilateral cooperation Slovenia-India, 10. 10. 2006 – 31. 12. 2007, CentralGlass & Ceramic Research Institute, Sol-GelDivision, Kolkota (Dr. Angela [urca Vuk).

- Synthesis of mixed systems on the basis oftitan oxide: structural, electrochemical andsurface properties, Bilateral cooperationSlovenia-Italy, 1. 3. 2006 – 31. 2. 2009, Uni-versity of Trento, Trento (Dr. Angela [urcaVuk).

- CIE, Division 1 (Dr. M. Klanj{ek Gunde, offi-cial member)

- CIE, Division 2, TC2-53 Multi-geometry col-our measurements of effect materials (dr. M.Klanj{ek Gunde, member)

- CIE, Division 1, TC1-66 Indoor daylight illu-minant (Dr. M. Klanj{ek-Gunde, member).

MAJOR EQUIPMENT- FT-IR spectrometer Bruker IFS 66/S

- FT-IR and FT-Raman spectrometer PerkinElmer 2000

- Hewlett-Packard 8453 UV-VIS diode-arrayspectrophotometer

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lastnosti materialov v iono-opti~nih sistemih,doktorska disertacija;

- Mojca Fir: Sol-gel za{~itne nanokompozitneprevleke za Al-Cu zlitino in son~ne absorberje,doktorska disertacija;

- Da{a [ivec: Vpliv cerija na elektrokromnelastnosti nanokristalini~nih tankih plastititanovega (IV) oksida, diplomsko delo;

- Darko Divjak: Nizkotemperaturna sintezacinkovih spojin (cinkovega-hidroksid karbo-nata in cinkovega oksida), diplomsko delo.

- AUTOLAB PGSTAT30 and EG&G PAR 273potentiostat/galvanostat

- Spectrometer Lambda 950 UV/VIS/NIR

EDUCATION AND IMPORTANT VISITS- Robi Je{e: Structural and spectroscopic prop-

erties of materials in iono-optic systems: Ph.D.dissertation;

- Mojca Fir: Sol-gel protection nanocompositecoatings for Al-Cu alloy and solar absorbers,Ph.D. dissertation;

- Da{a [ivec: Influence of cerium on theelectrochromic properties of nanocrystallinethin films of titanium (IV) oxide, B.S. thesis;

- Darko Divjak: Low-temperature synthesis ofzinc compounds (zinc-hydroxide carbonateand zinc oxide), B.S. thesis.

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Laboratorij za kemometrijoLaboratory of Chemometrics

L03Laboratorij za kemometrijo

Laboratory of Chemometrics

VODJA / HEADDr. Marjana Novi~

RAZISKOVALCI / RESEARCHERSdr. Marjan Vra~kodr. Neva Gro{eljdr. Marjan Tu{ardr. Natalja Fjodorova (od maja / since may 2006)dr. Milan Randi} (4 mesece / months)

MLADI RAZISKOVALCI /YOUNG RESEARCHERS[pela @uperlViktor Drgan

RAZISKOVALCI NA DO-DOKTORSKEMDELU IZ TUJINE / YOUNG PRE-DOCSCIENTISTS FROM ABROADAndrea Mauri (2 meseca / months)

RAZISKOVALCI NA PO-DOKTORSKEMDELU IZ TUJINE / YOUNG POST-DOCSCIENTISTS FROM ABROADdr. Sylwester Mazurek (12 mesecev / months)dr. Jaroslaw Panek (11 mesecev / months)dr. Igor Kuzmanovski (5 mesecev / months)

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PODRO^JA DEJAVNOSTIUvajanje kemometrije, to je uporabe {irokepalete matemati~nih, statisti~nih in ra~u-nalni{kih metod za re{evanje kemijskihproblemov, v raziskovalno in razvojno prakso.Modeliranje kemijskih lastnosti in procesov napodro~ju QSAR {tudij in iz podatkov, ki jihdobimo s sklopljenimi analiznimi tehnikami.Uveljavljanje metod umetnih nevronskih mre`v kemiji; {tudij strategij u~enja nevronskih mreìn razvijanje ustreznih ra~unalni{kih programov.Raziskave na podro~ju matemati~ne kemije:uporaba diskretne matematike v strukturnikemiji, v QSAR {tudijah, v proteomiki ingenomiki.[tudij algoritmov in razvoj programskih paketov.Uporaba kemometri~nih metod v analiznikemiji: zagotavljanje in kontrola kakovsti (QA/QC).Raziskave 3D reprezentacij kemijske struktureza uporabo v QSAR.Izobraèvanje na podro~ju kemometrije: vsodelovanju s Fakulteto za kemijo in kemijskotehnologijo Univerze v Ljubljani na dodi-plomskem in podiplomskem nivoju.

RESEARCH ACTIVITIES- Introduction of chemometrics, i.e. math-

ematical, statistical and computational meth-ods for solving chemical problems in theapplicative, research, and control laborato-ries

- Modelling of chemical properties and proc-esses in the field of QSAR (Quantitative Struc-ture Activity Relationship) and of data ac-quired from the hyphenated analytical tech-niques

- Application of artificial neural network meth-ods in chemistry, study of various ANN learn-ing techniques and development of the cor-responding computer software

- Research in the field of mathematical chem-istry: the application of discrete mathemat-ics in structural chemistry, in QSAR studies,in proteomics and genomics

- Study of various algorithms and developmentof computer software

- Application of chemometric methods in ana-lytical chemistry for quality control and qual-ity assurance (QA/QC)

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Izobraèvanje v okviru posebnih te~ajev in {ol vsodelovanju s Fakulteto za kemijo in kemijskotehnologijo Univerze v Mariboru.Izobraèvanje in prenos znanja med razis-kovalnimi skupinami v raznih dràvah prekoevropskih projektov v Marie Curie izobraèvalnihmreàh.

BIBLIOGRAFIJA18 izvirnih znanstvenih ~lankov3 strokovni ~lanki1 samostojni znanstveni sestavek v

monografiji1 samostojni strokovni sestavek v mono-

grafiji2 intervjuja6 objavljenih znanstvenih prispevkov na

konferencah15 objavljenih povzetkov znanstvenih

prispevkov na konferencah1 prispevek na konferenci brez natisa3 vabljena predavanja na konferencah brez

natisa4 uredni{tva revij

DOSE@KI V LETU 2006- Raziskave, ki smo jih v letu 2006 izvajali

sodelavci Laboratorija za kemometrijo, smopredstavili v 16 znanstvenih ~lankih in dvehpoglavjih v monografijah, o rezultatih smoporo~ali v 12 prispevkih na mednarodnih in6 prispevkih na doma~ih znanstvenih konfe-rencah. Objavljena dela kaèjo nadaljevanjedela na raziskovalnem programu Modeliranjerelacij med kemijsko strukturo in lastnostjosnovi – QSAR – QSPR po zastavljenem na~rtu.

- Evropski project IBAAC (An IntegratedBiomimetic Approach to Asymmetric Cataly-sis), v katerega smo integrirani kot kemo-informatiki, smo v letu 2006 nadaljevali zenim podoktorskim raziskovalcem, ki jenadaljeval raziskave, za~ete v prej{njem letuter z dvema novima tujima podoktorskimaraziskovalcema ter enim doktorantom. Na{cilj je optimizacija katalizatorjev za asi-metri~no kemijsko sintezo v okolju, ki simulira

- Research of 3D structural structure represen-tations for QSAR

- Education in chemometrics in collaborationwith the Faculty of Chemistry and ChemicalTechnology, University of Ljubljana, Sloveniaon the pre- and postgraduate levels

- Education in the form of special courses inthe collaboration with the Faculty of Chem-istry and Chemical Technology, University ofMaribor, Slovenia

- Education and knowledge transfer betweenresearch groups in several countries on thebasis of Eurepan Union projects within MarieCurie training networks

BIBLIOGRAPHY18 Original Scientific Articles3 Professional Articles1 Independent Scientific Component Part

in Monograph1 Independent Professional Component

Part in a Monograph2 Interviews6 Published Scientific Conference Contribu-

tions15 Published Scientific Conference Contribu-

tion Abstracts1 Unpublished Conference Contribution3 Unpublished Invited Conference Lectures4 Journal Editorships

ACHIEVEMENTS IN 2006- The research work of the Laboratory of

Chemometrics in 2006 is demonstrated in16 scientific papers and two chapters in themonograph, the results were reported in 12contributions internationally and 6 at na-tional scientific conferences. The presentedwork shows the continuation of the progressin the scope of the research program “Mod-elling of Structure–property Relationships –QSAR–QSPR” according to the presumedresearch plan.

- The European project IBAAC (An IntegratedBiomimetic Approach to Asymmetric Cataly-

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biolo{kega (npr. proteini ali dendrimeri,katerih osnovne enote so aminokisline). Orezultatih smo poro~ali na sestankih IBAACprojekta v Ljubljani in v Bologni ter nakonferencah v Mariboru (Slovenski kemijskidnevi) in v Berlinu (Quantum chemistry –methods and applications). Pomembensestanek na polovici izvajanja projekta smoorganizirali sodelavci Laboratorija za kemo-metrijo 1. in 2. junija v Ljubljani. Prisoten jebil tudi dr. Sergio di Virgilio iz Evropske unije,ki je zadolèn za spremljanje dela na projektu.Dobili smo pozitivno oceno, kar je bil pogojza nadaljnje financiranje.

- V evropskem projektu TRACE smo nadaljevalis statisti~no obravnavo analiznih rezultatovzemlje, vode, olj~nega in le{nikovega olja spomo~jo nevronskih mre`. Za~etno nalogo,razvoj orodja na osnovi umetnih nevronskihmre` v MATLAB okolju, smo v prvi razli~iciizvedli ter programe testirali s podatki, ki sona voljo v TRACE-u. Orodje smo razvili dotak{ne faze, da je primerno za testiranje skaterim koli podatkovnim nizom, urejenimglede na zahteve stare programske opreme,razvite za WINDOWS okolje. O rezultatih smoporo~ali na sestankih TRACE projekta vTarragoni, Genovi in v Pragi ter na konferenciv Mariboru (Slovenski kemijski dnevi).

- Aprila 2006 smo za~eli z novim evropskimprojektom CAESAR (Computer-AssistedEvaluation of industrial chemical SubstancesAccording to Regulations). Na prvemsestanku 18. in 19. maja 2006 v Milanu,Italija, smo natan~no dolo~ili naloge posa-meznih partnerjev, tako da smo na nasled-njem sestanku decembra è lahko poro~ali odelnih rezultatih. Na{a skupina je pripravilapodatkovno bazo karcinogenih spojin,izbranih iz raznih javno dostopnih virov, terpo ve~stopenjskem filtriranju izlo~ila okoli 250spojin s poznanimi kemijskimi strukturami indolo~eno stopnjo karcinogenosti. To jeosnova za nadaljnje iskanje korelacij medstrukturo (popisano s strukturnimi des-

sis), in which we are involved as specialists ofchemo-informatics, developed by the integra-tion of two new foreign post-docs and onepre-doc, while one post-doc continued theresearch he started in the previous year. Ourgoal is the optimisation of catalysts of asym-metric synthesis in a bio-simulated environ-ment (proteins of dendrimers of amino-ac-ids). We reported the results at the meetingsof IBAAC partners in Ljubljana and Bologna,and at conferences in Maribor (SlovenianChemistry Days) and in Berlin (Quantumchemistry - methods and applications). Wewere the organizers of an important mid-term meeting in Ljubljana, 1-2 June 2006. Itis worthy to note the presence of the Euro-pean officer, Dr. Sergio di Virgilio, who is re-sponsible for monitoring the progress of theIBAAC project. He was the assessor at theLjubljana meeting. Being satisfied with theprogress, he delivered a report with a posi-tive opinion to Brussels, which was the re-quirement for further financing.

- Within the TRACE European Union projectwe continued with statistical evaluation ofchemical analyses of earth, water, olive andhazelnuts oil samples with the use of artifi-cial neural networks. The initial task, devel-oping a tool for artificial neural networks inthe MATLAB environment, was accomplishedthrough the testing phase. It can be testedfor any data providing the suitable input for-mat prescribed in the old WINDOWS soft-ware. We reported the results at the TRACEmeetings in Tarragona, Genoa, Prague, andin Maribor at Slovenian Chemistry Days.

- In April 2006 we started with a new Euro-pean project CAESAR (Computer-AssistedEvaluation of industrial chemical SubstancesAccording to Regulations). At the first meet-ing on 18 and 19 May 2006 in Milano, Italy,we browsed through the tasks and assignedshort-terms goals for each participant group.At the next meeting we already reported onpartial results. Our group was responsible for

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kriptorji) in lastnostjo, stopnjo karcinogenosti,kar kon~no vodi h klasifikacijskemu alinapovednemu modelu.

- V letu 2006 smo izvajali dva industrijskaprojekta. Prvi je BIO11/2006, v kateremnadaljujemo v prej{njem letu za~eto ovred-notenje podobnosti/identi~nosti kemijskihstruktur nekaterih u~inkovin, ki jih raziskujefarmacevtska dru`ba Lek Pharmaceuticals,d.d., Ljubljana. Drugi je projekt s podjetjemIMS-ADITOIL d.o.o., Trzin, pogodba {t. 120/06-L03 o dolgoro~nem sodelovanju napodro~ju raziskav in razvoja nizko tempe-raturnih bitumnov in asfaltnih zmesi. V okvirupogodbe sodelavci Kemijskega in{titutaopravljamo temeljne in aplikativne raziskave,razvijamo analitske metode, pripravljamoekspertna mnenja, skupaj z IMS-ADITOILd.o.o. pripravljamo projekte in predstavitveza strokovno javnost o nizko temperaturnihbitumnih in asfaltnih zmeseh.

- V okviru sodelovanja s Skupnim raziskovalnimcentrom (European Chemical Bureau, Insti-tute for Health and Consumer Protection,Joint Research Centre, Ispra, Italija) jesodelavec (dr. Marjan Vra~ko), ki je marcazaklju~il enoletno bivanje kot gostujo~iznanstvenik (Senior Scientist Visitor),predstavil nevronske mreè kot ustreznoorodje za postavitev QSAR modelov, ki souporabni za regulacijke namene. V revijiSAR&QSAR Environ. Res. smo skupaj sstrokovnjaki iz ECB objavili ~lanek o validacijiprotito~nih (counter-propagation) nevronskihmre` v lu~i OECD principov validacije QSARmodelov, ki se uporabljajo za regulacijskenamene. Dokument je dostopen na spletnistrani OECD:

http://www.oecd.org/dataoecd/55/35/38130292.pdf

Poleg tega smo bili aktivni na podro~jurazvoja kemometrijskih metod in aplikacij inna podro~ju teorije grafov z uporabo vstrukturnih reprezentacijah, v proteomiki ingenomiki, kot je razvidno iz bibliografije.

a compiling a carcinogenicity data base fromopen public sources. After several filteringswe selected cca. 250 compounds with knownchemical structures and ascribed theircarcinogenicity. On this basis a further searchfor the relationship between chemical struc-ture and carcinogenicity will be carried out,with the aim of obtaining the classificationand predictive models.

- Two industrial projects were going on in2006. The first one, BIO11/2006, is a con-tinuation of the project started in the previ-ous year, in which we were evaluating thesimilarity/identity of molecular structures ofdrugs investigated by Lek Pharmaceuticals,d.d., Ljubljana, Slovenia. The second projectwith the company IMS-ADITOIL d.o.o., Trzin,Slovenia; contract no. 120/06-L03, was forlong-term collaboration in the field of re-search and development of low temperaturebitumen and asphalt mixes. In the frame ofthis contract, researchers for the NationalInstitute of Chemistry work on basic andapplicative research, develop analytical meth-ods, prepare expert studies; in collaborationwith IMS-ADITOIL d.o.o. we apply for projectsand prepare presentations about low tem-perature bitumen and asphalt mixes for thepublic in the field of road construction.

- In March 2006, one of our co-workers (Dr.Marjan Vra~ko) finished his appointment asthe senior scientist visitor in the EuropeanChemical Bureau, Institute for Health andConsumer Protection, Joint Research Centre(JRC), Ispra, Italy. In our contribution to thework of JRC we presented the counter propa-gation neural networks as a suitable tool forQSAR modelling. In the journal SAR&QSAREnviron. Res. we published, together withinvited experts the article, research on vali-dation of counter propagation neural net-works in terms of OECD principles for valida-tion of QSAR models used for regulatorypurposes. The document is available on theOECD website:

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- V letu 2006 smo podpisali Sporazum odolgoro~nem sodelovanju z Univerzo v Trstu,(Biophysics and Macromolecular Chemistry(BBCM)). Sporazum temelji na skupnihraziskovalnih interesih Oddelka za biokemijo,biofiziko in makromolekularno kemijoUniverze v Trstu (profesorica dr. SabinaPassamonti) in Laboratorija za kemometrijoKI (dr. Marjana Novi~). K sporazumu soprispevale skupne raziskave o delovanjuproteinskih transporterjev (bilitranslokaze), kiso bile med drugim rezultat trimese~negabivanja na{e mlade raziskovalke v njihovemlaboratoriju, kar je omogo~ilo, da so biliteoreti~ni izra~uni nadgrajeni z eksperi-mentalnimi rezultati.

- Pod mentorstvom na{ih sodelavcev in vsodelovanju s Fakulteto za kemijo in kemijskotehnologijo Univerze v Ljubljani sta dva mladaraziskovalca nadaljevala doktorsko izobra-èvanje. Enemu od njih je bil na osnovidoseènih rezultatov è odobren direktenprehod na doktorat brez magisterija, drugibo za prehod zaprosil naslednje leto.

KRATEK OPIS DELA IN REZULTATOVGlavnino raziskav smo opravili v okvirufinanciranja raziskovalnega programa P1-017,Modeliranje relacij med kemijsko strukturo inlastnostjo snovi – QSAR – QSPR. Raziskovalna

http://www.oecd.org/dataoecd/55/35/38130292.pdf

Other activities, mainly in the field of devel-opment and application of chemometricsmethods and in the field of graph theoreti-cal descriptors for proteomics and genomics,are apparent from the bibliography.

- In 2006, we signed an agreement for longterm collaboration with the Biophysics andMacromolecular Chemistry (BBCM) Depart-ment of University of Trieste, Italy. The agree-ment is based on the common research in-terest of BBCM (Prof. Sabina Passamonti) andour group in the Laboratory for Chemo-metrics (Dr. Marjana Novi~). The basis for theagreement was collaboration on the researchof mechanism and structural details of pro-tein transporters (bilitranslocase), which,among other things, resulted in a threemonth stay of our young researcher in theirlaboratory. This collaboration linked our theo-retical approach with their experimental re-sults.

- Under the mentorship of our co-workers andin collaboration with Faculty of Chemistry andChemical Technology of the University ofLjubljana, Slovenia, two Ph.D. students arecontinuing with their education. On the ba-sis of the results one was allowed to work

SLIKA:

Vrhnja mapa 6 x 6 nevronov (a), ravnina odgovorov

(b) in 3D pogled na ravnino odgovorov (c) napo-

vednega modela na osnovi protito~ne nevronske

mreè, trenirane s petnajstimi spojinami iz druìne

flavonoidov.

FIGURE:

Top-map of 6x6 neurons (a), response surface (b),

and 3D view on the response surface (c) of a predic-

tive model based on counter propagation of an arti-

ficial neural network trained with fifteen flavonols.

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tematika programa nam omogo~a vrstomednarodnih povezav in vklju~itev v evropskein doma~e industrijske projekte. Del raziskav, kijih posve~amo razvoju in uporabi topolo{kihindeksov ter uporabe teorije grafov, je objavlje-nih v devetih publikacijah v sodelovanju zmnogimi strokovnjaki teoretsko-matema-ti~nega podro~ja. Nosilni steber tovrstnihraziskav, profesor Milan Randi}, se je tudi toleto pridruìl na{i raziskovalni skupini za dalj{e~asovno obdobje. Skupne raziskave imajorezultate, kar je razvidno iz objav v publikacijah,v katerih se pokaè tudi prakti~no uporabnavrednost graf-teoreti~nih invariant, predvsem naQSAR podro~ju. Nadaljevali smo z matema-ti~nim pristopom analize podatkov v proteomikiin genomiki. V sodelovanju z Zavodom zazdravstveno varstvo Maribor (ZZVMB) smozaklju~ili {tudijo kvalitete voda razli~nihvodnjakov. Nadaljujemo s spremljanjemprisotnosti pesticidov metolaklora in njegovihrazgradnih produktov v povr{inskih vodah.Metolaklor, selektivni herbicid za zatiranjedolo~enih vrst trave in {irokolistnega plevela,se zaradi polarnega zna~aja izpira s povr{ine inje prisoten v vodnih vzorcih, poleg tega pa tudimetabolira, zato je spremljanje metabolitov {eposebej pomembno, ~e èlimo dobiti slikoonesnaènja.Aktivno smo se vklju~ili v delovanje centraSENARC (Slovenian European Natural ResearchCentre), in sicer na poletni {oli v Mariboru, 3. –14. julija 2006, kjer smo se odzvali na vabila inimeli tri predavanja (Uvod v analizo podatkov zve~ spremenljivkami, Izbrana poglavja izkemometrije in Vloga QSAR modelov inkemometrijskih metod v evropski zakonodaji).Namen poletne {ole je bil zbrati podiplomske{tudente iz zahodnih balkanskih dràv nauvodnem te~aju o problemih, povezanih zmeritvami, ter prakti~nem usposabljanju vlaboratoriju, da bi s tem vzpostavili nadaljnjesodelovanje v raziskavah. Naslednji dogodek, vkaterem smo sodelovali, je bil v Lipici 26. – 27.septembra 2006 (12. mednarodni simpozij oseparacijskih tehnikah), in sicer smo prispevali

directly towards his Ph.D. without first ob-taining a Master degree. The other will applyfor passing the next year.

SHORT DESCRIPTION OF RESEARCH ANDRESULTSThe majority of the research work was accom-plished in the financing frame of the researchprogram P1-017, Modelling of Structure–prop-erty Relationships – QSAR–QSPR. The subjectmatter of the research project enables us tomaintain many international collaborations andto integrate with several European and domes-tic industrial projects. The results of the researchdirected towards graph theory and investiga-tion of topological indices are presented in 9papers in collaboration with many theoreticiansfrom different parts of the world. The protago-nist of this kind of research is professor MilanRandi}, who is joining us for a full year. Fromthe attached bibliography one can see thatpublished results of common research workdemonstrate the practical application of graph-theoretical invariants, especially in the field ofQSAR modelling. We continued with the math-ematical approach in analysis of data fromproteomics and genomics. In collaboration withthe Institute of Public Health Maribor, Slovenia(IPHMB), we completed the study of waterquality from different water wells. We continuemonitoring metalachlor and degradation prod-ucts in surface waters. Metolachlor, a selectiveherbicide used to control specific annual grassesand broadleaf weed and is leachable into thegroundwater due to its highly polar character-istics, so it is present in water samples. Addi-tionally, it metabolises, so the monitoring ofmetabolites is of special importance if we wantto obtain the pattern of pollution.We were actively involved in the endeavours ofSENARC, (Slovenian European Natural ResearchCentre) with three invited lectures at SummerSchool in Maribor, 3 – 14 July 2006: Introduc-tion to Multivariate Analysis, Selected Topicsfrom Chemometrics, and The Role of QSARModels and Chemometrical Methods in Euro-

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k organizaciji in izvedbi delavnice o pripravivzorcev in validaciji.Poseben poudarek velja {iritvi sodelovanjana{ega laboratorija z industrijo. Poleg podalj-{anja projekta s farmacevtsko dru`bo Lek Phar-maceuticals, d.d., Ljubljana (BIO11/2006) smouspeli podpisati novo pogodbo o dolgoro~nemsodelovanju s podjetjem IMS-ADITOIL d.o.o.,Trzin, (120/06-L03). V prvem primeru gre zanadaljevanje prej{nje leto za~etih raziskav vsmislu ovrednotenja podobnosti/identi~nostikemijskih struktur nekaterih u~inkovin v zdravilih(generikov), ki jih raziskuje farmacevtska dru`baLek Pharmaceuticals. V nadaljevanju so v L11pripravili nove preparate z dodatki, ki bi ~imbolj izena~ili novi proizvod z originalnimzdravilom. Na{a naloga je bila ovrednotitipodobnosti 2D NMR spektrov posameznihizolatov z razli~nimi dodatki. Rezultati dela sozbrani v ~lanku, ki smo ga poslali v objavo, ter vpredstavitvah na konferencah. Drugi projekt,Raziskave in razvoj nizko temperaturnihbitumnov in asfaltnih zmesi za IMS-ADITOIL, jenamenjen temeljnim in aplikativnim raziskavam,razvijanju analitske metode, pripravljanjuekspertnih mnenj, pripravljanju projektov inpredstavitev za strokovno javnost o nizkotemperaturnih bitumnih in asfaltnih zmeseh. Vokviru navedene pogodbe smo na Kemijskemin{titutu v letu 2006 izvedli naslednje dejavnosti:(i) za Dneve ob~inskih cest smo pripravili

predstavitev z naslovom Uporaba nizko-temperaturnih asfaltov na ob~inskih cestah,parkiri{~ih, plo~nikih in dvori{~ih (5. maja2006), kjer je bila za ciljno publiko (ob~inskiinvestitorji in izvajalci) poudarjena raba nizkotemperaturnih bitumnov in asfaltnih zmesina manj obremenjenih povr{inah. Poudarjenoje bilo, da nizkotemperaturne asfalte zmesiomogo~ajo dalj{i ~as med proizvodnjo invgradnjo, kar je pomembno pri oskrbovanjuve~ manj{ih gadbi{~. Prometne povr{ine lahkotudi po vgradnji tak{nih asfaltnih zmesi hitrejepredamo prometu.

(ii)Na DARS-ov razpis razvojno raziskovalnihnalog je bila poslana ponudba z naslovom

pean Chemical Legislation. The aim of the Sum-mer School was to bring together post-gradu-ate students from the Western Balkan Coun-tries to initiate further research collaborationby an introductory course on measurements,related issues and hands-on training. The nextevent in which we participated as experts fromSENARC centre was in Lipica: 12th InternationalSymposium on Separation Sciences, 27 - 29September 2006, in particular focusing on or-ganization and implementation of the work-shop on sample preparation and validationmethods.A special emphasis should be given to the ex-tended collaboration of our laboratory with theindustry. Apart from the prolongation of thepreviously started project with Lek Pharmaceu-ticals, d.d., Ljubljana, Slovenia (BIO11/2006),we succeeded in a new long term collabora-tion agreement with the company IMS-ADITOILd.o.o., Trzin, Slovenia (120/06-L03). In the firstcase we continued with the evaluation of simi-larity/identity of molecular structures of drugsin biopharmaceuticals being investigated by LekPharmaceuticals, d.d. In L11 new isolates withvarious additives were prepared in order to iden-tify and eliminate the difference between thenew isolates and original drug. Our task was toevaluate the similarity of 2D NMR spectra ofindividual isolates with different additives. Theresults were reported in a manuscript, sent forpublication by the end of the year and demon-strated at international scientific conferences.The second project, research and developmentof low temperature bitumen and asphalt mixesfor IMS-ADITOIL d.o.o., encompasses the basicand applicative research, development of ana-lytical methods, preparation of expert studies,applications for projects, and presentationsabout low temperature bitumen and asphaltmixes for the public in the field of road con-struction.In the framework of this contract the followingactivities were completed:(i)For a meeting called “Dnevi ob~inskih cest”

we prepared a presentation with title: ½Use

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Nizkotemperaturni asfalti in ohranitevnizkotemperaturnih lastnosti pri reciklaì (14.junija 2006). Pri nalogi smo nameravili razvitianalitske metode, ki bi omogo~ale kvanti-tativno dolo~evanje nizkotemperaturnegadodatka v recikliranih asfaltnih zmeseh.Naloga ni bila sprejeta iz povsem formalnihrazlogov.

(iii)Referat z naslovom Nizko temperaturnabitumenska veziva je bil predstavljen na 8.kongresu o cestah in prometu v Portoroù(26. oktobra 2006). V zborniku je bilpredstavljen tudi prispevek v obliki ~lanka. Vreferatu so bili zbrani vsi podatki o vgradnjinizko temperaturnih asfaltnih zmesi natestnih poljih v Sloveniji ter tudi predstavljenipodatki o prihranku pri energiji, zmanj{anjuemisije toplogrednih plinov pri proizvodnji teremisije bitumenskih hlapov pri vgradnji.

(iv)Pri vgrajevanju nizkotemperaturnega asfaltav Luki Koper je bi opravljen strokovni ogled,pripravili smo poro~ilo o ogledu ter podalitudi priporo~ila izvajalcem (10. novembra2006). Ob tej priliki so bili odvzeti vzorcibitumna in asfalta. Na teh vzorcih so bileizvedene preiskave na ZAG-u, na Kemijskemin{titutu pa spektroskopska presku{anja {epotekajo.

(v)V skladu z dogovorom z gospodom Aljo{oLipov{kom, direktorjem podjetja SCT Finalnadela, Ljubljana, je bil napisan predlog projektaz naslovom [tudija vplivov nizkotempe-raturnih dodatkov v litem asfaltu na okolje,ki bo predvidoma poslan na razpis Ministrstvaza gospodarstvo. Pri vgradnji litih asfaltov jezahtevana {e vi{ja temperatura, kar vodi {edo ve~je emisije bitumenskih hlapov. Ker jevgradnja litega asfalta izvedena ro~no, lahkoz zniànjem temperature veliko prispevamok zdravstveni za{~iti vgrajevalcev.

Bilateralni projekt med ZDA in RepublikoSlovenijo z naslovom Avtomati~na primerjavain ovrednotenje proteomi~nih podatkov smorealizirali v obliki dalj{ega obiska ameri{kegasodelavca dr. Sola Bobsta v Sloveniji (6 tednov)

of low temperature asphalt mixes on lowvolume roads, parking places, paved foot-ways and backyards” (5 May 2006). For thetarget audience (local investors and contrac-tors) main stress was put on use of low tem-perature asphalt mixes on less trafficked pave-ments. It was emphasized that with low tem-perature asphalts a contactor has more timebetween productions and build in; that ismore important when the producer of as-phalt has to supply many small constructionplaces. When using low temperature asphaltmixes pavements can be more quickly openedto traffic;

(ii) On a public official invitation for R&D stud-ies from DARS (Highway agency, Ljubljana,Slovenia) we sent an offer for a project enti-tled: “Low temperature asphalt mixes andpreservation of low temperature asphaltproperties in the recycling process” (14thJune.2006). In this project we intended todevelop analytical methods for quantitativedetermination of low temperature additivein recycled asphalt mixes. Project was notaccepted due to formal reasons;

(iii) A lecture with title “Low temperature bitu-men binders” was orally presented at the 8thSlovene road congress in Portoro` (26 Octo-ber 2006). In the conference proceedings alsoan article was published, in which we col-lected all information about building in lowtemperature asphalt mixes in Slovenia, i.e.test fields, energy savings, reduction ofGreenhouse gas emission at production andemission of bitumen fumes in building in lowtemperature asphalts;

(iv) For laying low temperature asphalts in thePort of Koper, Slovenia we prepared a reportbased on an inspection of work. This reportalso included recommendations for construc-tors (10 November 2006). During inspectionsamples of bitumen and asphalt were taken.On these samples some analyses were per-formed in the National Institute of Buildingand Civil Engineering and the National Insti-

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ter kraj{ega obiska dveh sodelavcev L03 (dr.Marjana Novi~, dr. Marjan Vra~ko) v ZDA. Dr.Sol Bobst je med {esttedenskim bivanjem vSloveniji pripravil okolje za pregledovanje inshranjevanje javno dostopnih proteomskih mapna osebnem ra~unalniku. Naredili smo tudinekaj testnih {tudij (rokopis ~lanka je v pripravi),s pomo~jo katerih bomo prikazali mo`nostuporabe proteomskih podatkov v regulatornenamene. Obisk obeh slovenskih raziskovalcev vZDA (The McKim Conference on the Use ofQSARs and Aquatic Toxicology in Risk Assess-ment, 27. – 29. junij 2006) je bil namenjenravno prou~evanju mo`nosti uporabe proteo-mike v ameri{ki agenciji za za{~ito okolja (EPA).V okviru slovensko-indijskega bilateralnegaprojekta: QSAR protituberkuloznih u~inkovin,primerjava modelov nevronskih mre` inlinearnih modelov smo izvedli dva obiska. Aprilaje na Kemijskem in{titutu gostoval prof. ManishBagshi z Indijskega in{tituta za kemijskobiologijo (Indian Institute of Chemical Biology),v decembru je dr. Marjan Vra~ko obiskalomenjeni in{titut v Kalkuti. [tudirali smo niz 37quinoksalinskih spojin in njihovo aktivnost protibakteriji Mycobacterium tuberculosis. Primerjalismo linearne in modele nevronskih mre`.Modele nevronskih mre` smo uporabili tudi zaklasifikacijo omenjenih spojin. V pripravi sta dvarokopisa.Omeniti velja {e doprinos na{e raziskovalneskupine k IBAAC projektu, ki je v letu 2006dosegel najve~jo intenziteto ({tirje tuji doktorskiin podoktorski sodelavci). Nadaljevali smo sprakso, da gredo raziskovalci, ki se vklju~ijo vIBAAC projekt kot doktoranti ali podoktoranti,najprej za dolo~en ~as (1–3 mesece) v laboratorijenega od partnerjev, kjer se seznanijo sproblematiko organske biokatalize, ter potemnadaljujejo z raziskavami v na{em laboratoriju.Tako je bil letos eden od podoktorantov pri{vicarskem partnerju IBAAC projekta, profesorjuThomasu Wardu na Univerzi v Neuchatelu,drugi pa na Univerzi v Bernu pri profesorju Jean-

tute of Chemistry;

(v) In agreement with Mr. Aljo{a Lipov{kek (di-rector of SCT Final works, Ljubljana, Slovenia)we prepared a project “Study of low tem-perature additives in mastic asphalt on theenvironment”. When laying mastic asphalt,even higher temperatures are needed andemissions of bitumen fumes are higher thanfor ordinary asphalts. Due to the fact thatbuilding with mastic asphalt is done manu-ally, the health risk to workers is better pre-vented when using low temperature addi-tives.

The bilateral project between the USA and RSlovenia entitled Proteomics Data for AutomaticComparison and Evaluation was realised in thesense of a longer visit (6 weeks) by the Ameri-can principal investigator, Dr. Sol Bobst inSlovenia and two shorter visits of Slovenian in-vestigators (Dr. Marjana Novi~, Dr. MarjanVra~ko) in the USA. During his stay in SloveniaDr. Sol Bobst prepared the computer environ-ment (PC) for browsing and storing publiclyavailable proteomic maps. We also performedsome test studies (the manuscript is in prepa-ration), which would show the suitability ofproteomics data for regulatory purposes. Thevisit of the Slovenian scientists in the USA (TheMcKim Conference on the Use of QSARs andAquatic Toxicology in Risk Assessment, June 27-29, 2006) was meant to evaluate how similaractivities are adopted by the US EnvironmentalProtection Agency (EPA).In the framework of the Slovenian-Indian bi-lateral cooperation project entitled: QSAR ofAntituberculosis Drugs: A Comparison of Sta-tistical and Neural Net Methods’, we completedtwo visits. In April 2006, Prof. Manish Bagshifrom the Indian Institute of Chemical Biologyvisited KI, and in December 2006, Dr. MarjanVra~ko visited the institute in Calcutta. We stud-ied the set of 37 quinoxaline compounds andtheir activities against Mycobacterium tuber-culosis. We compared linear models and coun-ter propagation neural network models, which

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Louis Reymondu. Eden od obeh je {el {e naenomese~no specializacijo iz kvanto-meha-nskih ra~unov v Wisconsin, Minnesota, kprofesorju Qiang-u Cui-u. Prvi del kemoinfor-macijske kompleksne raziskave sistema »Avi-din/Streptavidin – biotiniran ligand« jezaklju~en in pripravljen za objavo, medtem koso preliminarni rezultati v letu 2006 objavljeniv dveh revijah z visokim faktorjem vpliva (JACSin Inorg. Chem.).Plod sodelovanja z Univerzo v Trstu, Italija, jeobjava raziskave delovanja bilitranslokaze,proteina, ki je odgovoren za transportbilirubina (in drugih molekul) skozi celi~nomembrano v jetrih. Na{ namen je bil osvetlitina~in interakcije flavonoidov z bilitranslokazo.Ugotovili smo, da vezavna interakcija temeljina sposobnosti tvorbe vodikovih vezi, karzmanj{uje pomen interakcij nabitih delovmolekule. Posebno pozornost smo posvetiliizboru molekularnih deskriptorjev, potrebnihza izgradnjo modela. Rezultati te raziskavekaèjo, da ve~ina flavonolov, prisotnih v hrani,za razliko od antocianov ne reagira zbilitranslokazo, medtem ko se nekateriaglikoni {ibko veèjo. Kvantitativna analizapovezave med molekulsko strukturo insposobnostjo vezave je vodila k identifikacijitistih delov molekule, ki so potencialnoodgovorni za vezavne interakcije z bilitranslo-kazo, ter nam omogo~ila postaviti hipotezo omehanizmu vezave med ligandom in protei-nom.

SODELOVANJE Z INDUSTRIJO- Lek Pharmaceuticals, d.d., Ljubljana; projekt

BIO11/2006

- IMS-ADITOIL d.o.o., Trzin; pogodba {t. 120/06-L03

POTENCIALNI INDUSTRIJSKI UPORABNIKILaboratoriji za kontrolo in zagotavljanjekvalitete v vseh vejah kemijske (in druge)predelovalne industrije, v katerih lahko zmetodami na~rtovanja eksperimentov in

were additionally used for classification ofcompounds. Two manuscripts are in prepa-ration.It is worth mentioning the contribution of ourresearch group to the European Union projectIBAAC, which culminated in 2006 with fourforeign post-docs and post graduate students.We continued with the practice that fellowsspend a shorter period in an experimentallaboratory for organic catalysis with one ofour project partners to become acquaintedwith the subject of the project (bio-catalysis).Then they continue with the chemo-infor-matics part in our group. In 2006, one of thepost-docs was in Bern with Professor ThomasWard at the University of Neuchatel, whilethe other was at the University of Bernu withProfessor Jean-Louis Reymond. One of themmade a one-month specialisation on quan-tum-mechanical calculations at the Universityof Wisconsin, Minnesota, with ProfessorQiang Cui. The first part of a complex chemo-informatics investigation of the system “Avi-din/Streptavidin – biotinilated ligands” is com-pleted and ready for publishing, while thepreliminary results were published in 2006 intwo journals with high impact factors (JACSand Inorg. Chem.).Our collaboration with the University ofTrieste, Italy, resulted in a common publica-tion on the investigation of the transportmechanism of bilitranslocase, the membraneprotein responsible for transport of bilirubinfrom liver cells to the blood. Our purpose wasto shed light on the nature of flavonoid inter-action with bilitranslocase. It was found thatbinding relies on the ability to establish hy-drogen bonds, ruling out the involvement ofcharge interactions. Special attention wasdedicated to the examination of the kind ofmolecular descriptors needed to create themodel. The results of this work show that,contrary to dietary anthocyanins, most dietaryflavonols do not interact with bilitranslocase,whereas, some flavonol aglycones act as poorligands of that carrier. The quantitative analy-

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modeliranjem lastnosti ve~komponentnihizdelkov bistveno skr~imo drago in teàvnoeksperimentalno delo ter tako pocenimo izdelkein izbolj{amo njihovo kvaliteto.

MEDNARODNO SODELOVANJE Mednarodni projekti:- projekt TRACE (FP6-2003-FOOD-2-A) (Trac-

ing Food Commodities in Europe). (ContractNo. TRACE-IP-006942);

- projekt IBAAC (An Integrated BiomimeticApproach to Asymmetric Catalysis) (ContractNo. MCRTN –CT-2003-505020);

- projekt CAESAR (Computer-Assisted Evalua-tion of industrial chemical Substances Accord-ing to Regulations) (SSPI-022674);

- projekt COST D2 (New fluorous media andprocesses for cleaner and safer chemistry;)

- bilateralni projekt v okviru slovensko-indijskega programa znanstveno tehno-lo{kega sodelovanja 2004–2006 z naslovom:QSAR protituberkuloznih spojin: primerjavestatisti~nih modelov in nevronskih mre`.Nosilca: dr. Marjan Vra~ko in dr. ManishBagshi;

- bilateralni projekt v okviru znanstveno-tehnolo{kega sodelovanja med RepublikoSlovenijo in Republiko Makedonijo v letih2004, 2005 in 2006 z naslovom: [tudij relacijmed kemijsko strukturo in aktivnostjomolekul, ki inhibirajo HIV-1. Nosilca: dr.Marjana Novi~ in dr. Igor Kuzmanovski;

- bilateralni projekt v okviru znanstveno-raziskovalnega sodelovanja med RepublikoSlovenijo in Zdruènimi dràvami Amerike vletih 2006–2007 z naslovom: Avtomati~naprimerjava in ovrednotenje proteomi~nihpodatkov. Nosilca: dr. Marjana Novi~ in dr.Sol Bobst. (BI-US/06-07-013).

POMEMBNEJ[I IN[TRUMENTI IN DRUGAOPREMA- ra~unalni{ka u~ilnica s 30 sedeì in 16

osebnimi ra~unalniki;

sis of the structure–activity relationship led tothe identification of parts of ligands potentiallyinvolved in the binding to bilitranslocase, alongwith a reliable hypothesis on the kind(s) of in-teraction between the ligand and the target.

COLLABORATION WITH THE INDUSTRY- Lek Pharmaceuticals, d.d., Ljubljana, Slovenia;

Project BIO11/2006

- IMS-ADITOIL d.o.o., Trzin, Slovenia; Contractno. 120/06-L03

POTENTIAL INDUSTRY PARTNERSQuality assurance and quality control labora-tories in all branches of chemical, pharmaceu-tical and other kind of secondary industry, inwhich the application of experimental design,modelling and optimization techniques one canreduce the expensive and tedious experimentalwork and thus lower the prize and improvequality of products.

INTERNATIONAL COLLABORATIONProjects:- Project TRACE (FP6-2003-FOOD-2-A) (Trac-

ing Food Commodities in Europe). (ContractNo. TRACE-IP-006942)

- Project IBAAC (An Integrated BiomimeticApproach to Asymmetric Catalysis) (ContractNo. MCRTN –CT-2003-505020)

- Project CAESAR (Computer-Assisted Evalua-tion of industrial chemical Substances Accord-ing to Regulations) (SSPI-022674)

- Project COST D2 (New fluorous media andprocesses for cleaner and safer chemistry)

- Bilateral projects in the frame of ‘Slovenian-Indian intergovernmental science and tech-nology cooperation programme for the pe-riod 2004 - 2005’ entitled ‘QSAR of antituber-culosis drugs: A comparison of statistical andneural nets models’. Principal investigatorsare dr. Marjan Vra~ko and dr. Manish Bagshi.

- Bilateral projects in the frame of ‘Scientificand technological cooperation between R

71


- DIONEX-DX500 ionski kromatograf z novimavtomatskim vzor~evalnikom

IZOBRA@EVANJE IN OBISKI / GOSTOVANJAKot vsako leto smo tudi letos povabili natrimese~ni delovni obisk profesorja MilanaRandi}a, uveljavljenega raziskovalca napodro~ju teorije grafov, ki je è ve~ let zunanjisodelavec na{e programske skupine. V letu2006 smo tudi uspe{no konkurirali na javnemrazpisu za (so)financiranje uveljavljenihraziskovalcev iz tujine, tako da smo za obiskprofesorja Randi}a dobili dodatna sredstva inna tej osnovi je za~etni obisk (maj – september2006) dopolnil s kraj{im obiskom v decembru,kar nam je omogo~ilo kon~ati delo (rokopis),za~eto med prvim obiskom.Mlada raziskovalka [pela @uperl je bila trimesece na dodatnem doktorskem izpopol-njevanju v Italiji pri dr. Sabini Passamonti (naUniverzi v Trstu, Italija, na Oddelku za biokemijo,biofiziko in kemijo makromolekul). Namenusposabljanja je bilo spoznavanje mehanizmovprenosa u~inkovin v celice. Te raziskave sovklju~ene tudi v predlogu teme doktorskedisertacije.

Slovenia and R Macedonia for the period2004 - 2006’ entitled ‘Quantitative Structure-Activity Relationship Studies of HIV-1 Inhibi-tor Molecules’ Principal investigators are dr.Marjana Novi~ and dr. Igor Kuzmanovski.

- Bilateral project in the framework of scien-tific between Republic of Slovenia and UnitedStates of America in the years 2006 – 2007’,entitled “Proteomics data for automatic com-parison and evaluation”. Principal investiga-tors are Dr. Marjana Novi~ and Dr. Sol Bobst.(BI-US/06-07-013).

IMPORTANT INSTRUMENTS- Computer supported class-room with 30

seats and 16 PCs;

- DIONEX-DX500 ion chromatograph withnew auto sampler.

EDUCATION AND IMPORTANT VISITSProfessor Milana Randi}, recognized researcherin the field of graph theory, was invited for a 4-months research visit to our group. He is anexternal collaborator of our research programP1-017 for a longer period. In 2006 we suc-cessfully applied for funding of his visit, call ofARRS for (co)financing visits of eminent foreignresearchers. On this basis with additional fund-ing professor Randi} completed his stay with asecond visit in December, which enabled us tofinish the paper work of the research activitiesstarted during the first visit.Young researcher [pela @uperl was on a three-month doctoral specialization with professorSabina Passamonti, in the Biophysics andMacromolecular Chemistry (BBCM) Departmentof University of Trieste, Italy. The purpose of herspecialization was to get insight into the ex-perimental part of investigation of mechanismsof transport through the cell membrane. Thissubject is included in the proposal of her doc-toral thesis.

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73

Laboratorij za analizno kemijoAnalytical Chemistry Laboratory

L04Laboratorij za analizno kemijo

Analytical Chemistry Laboratory

VODJA / HEADDr. Boìdar Ogorevc

RAZISKOVALCI / RESEARCHERSdr. Bojan Budi~dr. Johannes T. van Elterendr. Irena Grgi}dr. Samo Ho~evardr. Miroslav Kova~evi~ (do / until 14. 5.)doc. dr. Milko Novi~dr. Janja Tur{i~ (dopolnilno delovno razmerje /part time)

MLADI RAZISKOVALCI / YOUNG RESEARCHERSMarija SlavecLea MaukoMersida Janeva (od novembra / from november)Darja Kotnik (od novembra / from november)Petra Apat (od oktobra / from october)

TEHNI^NO OSEBJE / TECHNICAL STAFFNu{a Verbi~Breda NovakLidija @ivec (polovi~ni delovni ~as / part time)Helena Radi} (od septembra / from september)Vesna Lenar~i~ (kraj{i delovni ~as / part time)

[TUDENTI - PRAKTIKANTI / STUDENTPLACEMENTS (6 mes. / months)Marjana @nidar (od septembra / from september)Barbara Feren~ak (od oktobra / from october)Sabina Matja{ec (od septembra / from september)

74


PODRO^JA DEJAVNOSTIPodro~je raziskovalne dejavnosti Laboratorija zaanalizno kemijo je analitika in kemijskakarakterizacija materialov in procesov. Obsega{tudij in razvoj sodobnih analiznih metodologijin orodij za analizo (sledov) in dolo~evanjekemijskih zvrsti elementov in spojin pri re{evanjuokoljskih, biomedicinskih, atmosferskih,industrijskih idr. problematik. Strokovna znanjain izku{nje ~lanov Laboratorija za analiznokemijo so zelo {iroke in pokrivajo med drugimpodro~ja, kot so: elektrokemija (mikro-elektrodein senzorji), sklopljene tehnike (npr. teko~inskakromatografija in laserska ablacija v povezavi zICP-masno spektrometrijo), ionska kromato-grafija, kemijski procesi v atmosferski vodni fazi,vzor~evanje in karakterizacija atmosferskihaerosolov (po velikostnih frakcijah), ICP-atomskaemisijska spektrometrija, priprava vzorcev(razklop v mikrovalovni pe~i in sekven~na/selektivna ekstrakcija) in modeliranje (ekstrak-cijskih in separacijskih procesov). V na{eraziskovalno delo so vklju~eni tudi podiplomski{tudenti, podoktorski gostje in specializanti.Dejavnost Laboratorija zajema tudi pogodbenodelo in storitve za neposredne industrijske indruge partnerje, kar vklju~uje razvoj in izbolj{avemetod ter analize vseh vrst vzorcev (okoljski,industrijski, biolo{ki) in dolo~evanje prakti~novseh elementov periodnega sistema kot tudi

RESEARCH ACTIVITIESThe Analytical Chemistry Laboratory’s field ofresearch covers analytics, the chemical charac-terization of materials and processes and en-compasses the study and development of mod-ern analytical methodologies and tools for(trace) analysis and chemical speciation to solveselected problems in environmental, biomedi-cal, atmospheric, industrial and related topics.The analytical expertise of the research team isvery broad and covers amongst others electro-chemistry (micro-electrodes and sensors), hy-phenated techniques (such as liquid chroma-tography and laser ablation interfaced with ICP-Mass Spectrometry), ion chromatography,chemical processes in an atmospheric aqueousphase, sampling and characterization of size-segregated atmospheric aerosols, ICP-AtomicEmission Spectrometry, sample preparation(MW-assisted digestion and sequential/selectiveextraction) and modelling (extraction and sepa-ration processes).The Analytical Chemistry Laboratory’s activitiesalso include contract work and special analyti-cal services for industrial and other partners withemphasis on the development and adaptationof methods and analyses of all kind of samples(environmental, industrial, biological) and fordetermining practically all the elements in theperiodic table, as well as many inorganic andorganic ions.

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mnogih anorganskih in organskih ionov terdrugih zvrsti.Ve~ informacij na na{i spletni stranihttp://www.ki.si/index.php?id=184

BIBLIOGRAFIJA11 izvirnih znanstvenih ~lankov1 samostojni znanstveni sestavek v

monografiji1 objavljeni znanstveni prispevek na

konferenci (vabljeno predavanje)3 objavljeni znanstveni prispevki na


prispevkov na konferencah1 prispevek na konferenci brez natisa1 vabljeno predavanje na konferenci brez

natisa2 kon~ni poro~ili o rezultatih raziskav6 elaboratov, pred{tudij, {tudij1 diploma

GLAVNI DOSE@KI V LETU 2006- V sodelovanju s partnerjem iz Velike Britanije

v okviru skupnega projekta smo okarak-terizirali kemijske zvrsti arzena na odlagali{~uodpadkov iz procesa kalcinacije, pri ~emersmo uporabljali vrsto razli~nih fizikalno-kemijskih metod, primernih za {tudij specia-cije elementov, kot so XRD, XANES, EXAFS,sekven~na ekstrakcija in sklopljene analiznetehnike. S kombinacijo omenjenih metodsmo ugotovili, da je bil arzen prisotenpredvsem v petvalentni obliki, vezan naamorfne in slabo kristalizirane okside èleza(verjetno alfa-hematit). Na{li smo tudimajhno koli~ino neklasificirane kristalini~nefaze èlezovega arzenata. Kljub poprej{njimdruga~nim predpostavkam so celokupnirezultati te zahtevne raziskave torej pokazali,da je relativna “varnost” obravnavanih arzenvsebujo~ih odpadkov dokaj vpra{ljiva, saj jele majhen del arzena prisoten v kristalini~niobliki kot nenevarni èlezov arzenat.

- Da bi pridobili bolj{i vpogled v okoljski ciklusarzena, smo v okviru multiralnega sodelo-

More information is available at: http://www.ki.si/index.phg?id=184&L=1

BIBLIOGRAPHY11 Original Scientific Articles1 Independent Scientific Component Part

in Monograph1 Published Scientific Conference Contribu-

tion (Invited Lecture)3 Published Scientific Conference Contribu-


tion Abstracts1 Unpublished Conference Contribution1 Unpublished Invited Conference Lecture2 Final Research Reports6 Treatises, Preliminary Studies, Studies1 Undergraduate Thesis

IMPORTANT ACHIEVEMENTS IN 2006- In collaborative work with our partner from

Great Britain, an array of physical-chemicaltechniques (XRD, XANES, EXAFS, SequentialExtraction Schemes and Hyphenated Elemen-tal Speciation methods) were applied to char-acterize arsenic in a calciner residue dump(Cornwall, UK). Arsenic was predominantlypresent in pentavalent form, bound to amor-phous or poorly-crystalline hydrous oxides ofFe (probably alpha-hematite). A smallamount of a non-classified crystalline ironarsenate phase was found, viz. Fe

2(As(AsO

4)3.

The overall results make us believe that thenormally assumed relative safety, from amobility point of view, is questionable sinceonly a small fraction of arsenic is found in acrystalline iron arsenate form.

- In order to get a better understanding of theenvironmental cycling of arsenic and itschemical species, they were biomonitored,within a multilateral cooperation study, in in-dustrial areas in Portugal using transplantedlichens and tree bark. INAA, ICP-MS andHPLC-HGAFS were used to determine totalarsenic and arsenic species. Since lichens con-tained methylated arsenic species, and aero-

76


vanja spremljali arzen in njegove spojine naindustrijskih obmo~jih Portugalske z uporabobiomonitoringa s transplantiranimi li{aji indrevesno skorjo. Za dolo~itev celokupnihkoncentracij arzena ter njegovih spojin smouporabili INAA, ICP-MS in HPLC-HGAFS. Kersmo ugotovili, da so li{aji vsebovali metiliranearzenove spojine, atmosferski aerosoli z istihmonitoring to~k pa ne, smo sklepali, da se vtej {tudiji uporabljeni transplantirani li{aji neobna{ajo kot pasivni biomonitorji, ampakaktivno metilirajo arzen in ga transformirajov biolo{ko manj nevarno obliko.

- Sodelovali smo pri razvoju nove metode zadolo~evanje èleza (II) in celokupnega èlezana osnovi sorpcije z uporabo SepPak C-18kolone modificirane s ferozenom za dolo~itevFe(II), ali z 1-nitrozo-2-naftolom za dolo~itevcelokupnega èleza. V vrsti eksperimentov zradioaktivnimi sledilci smo preizku{aliuporabnost metode za dolo~anje zvrsti ̀ elezav morski vodi. Rezultati so pokazali, da jemetoda primerna za dolo~evanje zvrsti ̀ elezav morski vodi pri zelo nizkih koncentracijah(nmol/L).

- Rezultati {tudije, v okviru katere smo dolo~ilikemijsko sestavo in higroskopne lastnostiaerosolskih delcev po velikostnih razredihzbranih na slovenski obali, so pokazali, da jeizvor zra~nih mas pomemben faktor, ki vplivana spremembe v kemijski sestavi glavnihkomponent po velikostnih razredih. Razlikamed dvema razli~nima izvoroma zra~nih mas(kontinentalni in morski) se je najbolj odraàlav koncentraciji vodotopnih organskihkomponent v aerosolih, Cl-, Na+, Mg2+ inCa2+, kakor tudi v faktorju pove~anja maseaerosola z nara{~ajo~o relativno vlago.

- V sodelovanju z avstrijskim partnerjem vokviru bilateralnega projekta smo izvedliprimerjavo celokupnih koncentracij in masneporazdelitve ogljikovih ter drugih frakcijaerosolov po velikostnih razredih zbranih nadveh razli~nih urbanih lokacijah (Ljubljana inDunaj, zimski ~as). Kljub dokaj podobnimgeografskim karakteristikam in vremenskim

sols from the same area did not, it could beconcluded that the lichen transplants stud-ied (Parmelia caperata) do not behave asgenuine passive biomonitors but are able toactively methylate inorganic arsenic to meth-ylated arsenic species.

- We took part in a collaborative study on de-veloping an approach to determine iron(II)and total iron, consisting of passing samplesthrough preloaded SepPak C-18 cartridgeswith either ferrozine (FZ) for Fe(II) measure-ment or 1-nitroso-2-naphthol (1N2N) for thetotal iron analysis. A series of experimentswas carried out to investigate the method’sapplicability for iron speciation in seawaterusing radio-iron. The described approacheswere tested for seawater iron concentrationsand are promising for iron speciation in thelow nmol/L range.

- The results of a study on the chemical com-position and water uptake characteristics ofRHw size-segregated aerosols collected onthe Slovenian coast showed that the originof air masses is an important factor control-ling the variation in the size distribution ofthe main components. The difference be-tween the two different air mass origins (con-tinental and marine) was particularly ex-pressed for water soluble organic com-pounds, for Cl-, Na+, Mg2+ and Ca2+ as wellas in the mass growth factors of aerosols.

- In the framework of cooperation with ourAustrian partner within a bilateral project weperformed a comparison study on total con-centrations and mass size distributions ofcarbonaceous and other fractions of aero-sols collected at two different urban locations(Ljubljana and Vienna, during wintertime).Although the two sites seem rather similar(both for geographical characteristics andweather patterns in winter), there are someinteresting differences. For example, the con-centrations of low molecular weight carboxy-lic acids were much higher in Ljubljana (4 %vs. 1 % of the total mass), indicating differ-ent source characteristics for this fraction of

77


zna~ilnostim so se pokazale nekaterezanimive razlike. Na primer: koncentracijenizkomolekularnih karboksilnih kislin so bilev Ljubljani bistveno vi{je (4 % vs. 1 % odcelokupne mase), kar kaè na razli~en izvor.Druga pomembna razlika je bila v razmerjumed BC (black carbon) in TC (total carbon),ki je za dunajske aerosole bistveno vi{je inkaè na vi{ji prispevek dizelskih izpuhov.

- V okviru aplikativnega projekta smo izvedlidruge, {e obse`nej{e meritve emisij delcev nadimniku Termo elektrarne [o{tanj. Specialnisistem za meritve emisij delcev po velikostnihrazredih, ki smo ga razvili v na{em labora-toriju, smo {e dodatno nadgradili, tako dasmo lahko vzor~evali tudi dalj{e ~ase.Vzporedno smo izpeljali tudi meritve imisijdelcev po velikostnih razredih na dveh vplivnihlokacijah. Zbrane depozite delcev smogravimetri~no in kemijsko analizirali, pri~emer smo posebno pozornost posvetilipotencialnim sledilcem iz tega izvora.

- Razvili smo metodologijo za hkratno direktnostripping voltametri~no merjenje kobalta inniklja v nekaterih simuliranih in pravih

the aerosol. Another important difference isthe BC/TC ratio (BC - black carbon, TC - totalcarbon), which was significantly higher forVienna, indicating a larger contribution ofdiesel exhaust particles.

- In the framework of an applied researchproject we carried out an extensive campaignof aerosol emission measurements at thestack of a thermo-powerplant. A special sys-tem for the measurement of emission of size-segregated particles, designed in our lab, wasadditionally improved to allow the collectingof particles for a longer time. In parallel sam-pling, size-segregated particles were collectedat two influential locations. All samples werethen gravimetrically and chemically analyzed,with emphasis on determination of potentialfinger-prints for this source.

- We have developed a methodology for theuse of a bismuth film microelectrode in thesimultaneous direct stripping voltammetricmeasurement of trace cobalt and nickel insome simulated and real low-volume bodyfluids (tears, sweat, cerebrospinal fluid, aque-ous humor). It has been demonstrated that

SLIKA 1:

Shematski prikaz in-vivo merjenja ̀ iv~nih prena{alcev

v mo`ganih anestezirane eksperimentalne podgane

z uporabo v na{em laboratoriju razvitega elektroke-

mijskega mikrosenzorja in ustrezne opreme (elektoke-

mijske delovne postaje).

FIGURE 1:

A schematic presentation of in-vivo measurement of

neurotransmitters in the brain of an anesthetized

experimental rat by application of an electrochemical

microsensor, developed in our laboratory, and the

appropriate instrumentation (electrochemical

workstation).

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nizkovolumskih vzorcih telesnih teko~in (solze,pot, cerebrospinalna teko~ina, o~esna vodica)z uporabo bizmutove tankoslojne mikro-elektrode. Dokazali smo, da je to elektrodomo`no uporabiti za dolo~evanje obehstrupenih elementov v zelo majhnih vzorcih(100 do 400 mL) brez priprave vzorcev, razenrazred~enja z ustreznim pufrom.

- Uporabo bizmutove tankoslojne elektrode(BiFE) smo raz{irili na merjenje kositra vpovezavi z anodno stripping voltametrijo. Pritej novi metodi smo BiFE prpravili in-situ, t.j.so~asno z elektrolitsko predkoncentracijo skateholom zakompleksanih kositrovih ionov.Ta elektroanalizna metoda z uporabo BiFE imazelo dobre detekcijske karakteristike s spodnjomejo zaznave 0,26 mg/L in je uporabna zadolo~evanje kositra npr. v morski vodi.

- Razvili smo tudi nov tip bizmutove elektrode,ki je osnovana na elektrodi iz ogljikove pastemodificirani z bizmutovim prahom (Bi-CPE).Ta kompozitna elektroda zdruùje izjemneelektroanalizne karakteristike kovinskegabizmuta z vsemi prednostmi elektrod izogljikove paste. Po optimizirani sestavekompozitnega elektrodnega materiala smougodne zmogljivosti Bi-CPE demonstrirali zanodnimo stripping voltametrijo nekaterihte`kih kovin v sledovih, kot so Pb, Cd, Zn, Tl,In in Mn.

- V sodelovanju s partnerji z Medicinskefakultete UL smo uspe{no izvedli hkratno in-vivo merjenje treh pomembnih biolo{kihspojin dopamina, serotonina in askorbata vstriatumu anesteziranih podgan (Sliki 1 in 2).Pri tem smo uporabili elektrokemijski mikro-senzor, ki je bil razvit v na{em laboratoriju intemelji na elektrodi iz ogljikovega vlakna(premer 7 mm) prekritega z membrano izpreoksidiranega polifenilendiamina (OPPD/CFME). In-vivo meritve so pokazale izjemnelastnosti tega mikrosenzorja za detekcijoomenjenih spojin pod fiziolo{kimi pogoji, kardokazuje, da ga je mo`no uporabljati pripomembnih nevrofiziolo{kih raziskavah.

this modified microelectrode can be success-fully applied to determine both toxic elementsin microvolume samples (100 to 400 mL)without any sample pretreatment except fordilution with the appropriate buffer solution.

- The applicability of bismuth film electrodes(BiFE) has been expanded to the measure-ment of tin in combination with anodic strip-ping voltammetry. The BiFE was prepared in-situ, i.e. simultaneously with the electrolyticpreconcentration of tin ions complexed withcatechol. The electrode exhibited attractiveelectroanalytical performance, with a limit ofdetection of 0.26 mg/L, and can, for exam-ple be used for the measurement of tin inseawater.

- In cooperation with our Czech partners wehave developed a new type of bismuth elec-trode based on a carbon paste electrodemodified with metallic bismuth powder (Bi-CPE). This composite electrode showed fa-vourable synergistic characteristics for bothcomponents, the metallic bismuth and car-bon paste. Upon the optimisation of the com-posite electrode material composition, theremarkable performance of Bi-CPE was dem-onstrated by applying anodic strippingvoltammetric measurements of some traceheavy metals, such as Pb, Cd, Zn, Tl, In, andMn.

- In the framework of our collaboration withpartners from a Medical School (ULJ) we havesuccessfully carried out simultaneous in-vivomeasurements of three significant biologicalcompounds- dopamine, serotonine andascorbate in the striatum of anesthetized rats(Figures 1 and 2). The experiments were per-formed using the microsensor (designed andprepared in our laboratory) based on a car-bon fiber microelectrode (diameter of 7 mm)coated with a membrane of overoxidizedpoly-phenylenediamine. These in-vivo meas-urements demonstrated the applicability ofthe developed microsensor to simultaneouslydetect all three compounds under physiologi-

79


SODELOVANJE Z INDUSTRIJSKIMI INDRUGIMI PARTNERJIV letu 2006 smo sodelovali z ve~ desetindustrijskimi in drugimi partnerji v okvirupogodb ali naro~il za razvoj ali adaptacije inoptimizacije metod oz. izdelave kemijskih analizrazli~nih vzorcev iz proizvodnje, okolja aliraziskav, ki zahtevajo posebna znanja in izku{njeter specialno instrumentacijo; vse to nudimo vna{em laboratoriju. Med najpomembnej{eindustrijske partnerje tovrstnega sodelovanja vletu 2006 sodijo:- Salonit Anhovo d.d., Deskle;

- Lek d.d., Ljubljana;

- Belinka Perkemija d.o.o., Ljubljana;

- Pivovarna Union d.d., Ljubljana;

- Melamin d.d., Ko~evje;

- Regeneracija d.o.o., Lesce;

- Eta d.o.o., Cerkno;

- Julon d.d., Ljubljana;

- Keko Varicon d.o.o., @uèmberk;

- Mitol d.d.; Seàna;

- Kolektor PRO d.o.o., Idrija;

- Tanin Sevnica;

- Pivovarna La{ko d.d., La{ko idr.

Sodelovanje z neindustrijskimi partnerji v letu2006 je zajemalo pogodbeno in druga~norazvojno in raziskovalno delo z naslednjimineposrednimi partnerji:- Agencija Republike Slovenije za okolje,

Ljubljana;

- Elektroin{titut Milan Vidmar, Ljubljana;

- Fakulteta za kemijo in kemijsko tehnologijo,Univerza v Lljubljani;

- Enota za patologijo prehrane in higienookolja, NVI, Veterinarska fakulteta, Univerzav Lljubljani;

- In{titut Joèf Stefan, Ljubljana;

- Fakulteta za strojni{tvo, Univerza v Mariboru;

- Zavod za gradbeni{tvo Slovenije, Ljubljana;

- In{titut za hmeljarstvo in pivovarstvo Slovenije,@alec;

cal conditions, making it promising for usein important neurophysiological studies.

COLLABORATION WITH INDUSTRIAL ANDOTHER PARTNERSIn 2006 we collaborated with several industrialand other partners within the framework ofcontracts and other types of cooperation fordevelopment and adaptation of methods andto perform analyses of various samples fromindustrial processes, the environment and re-search, all of which require the analytical ex-pertise and special instrumentation that theAnalytical Chemistry Laboratory can provideowing to its research activity.A selected list of the most important industrialpartners in 2006 comprises:Salonit Anhovo d.d., Deskle; Lek d.d., Ljubljana;Belinka Perkemija d.o.o., Ljubljana; PivovarnaUnion d.d., Ljubljana; Melamin d.d., Ko~evje;Regeneracija d.o.o., Lesce; Eta d.o.o., Cerkno;Julon d.d., Ljubljana; Keko Varicon d.o.o.,@uèmberk; Mitol d.d.; Seàna; Kolektor PROd.o.o., Idrija; Tanin Sevnica; Pivovarna La{kod.d., La{ko, all Slovenia etc.Non-industrial partners for contract and re-search and development work in 2006 com-prises:Melamin d.d., Ko~evje; Agency of the Republicof Slovenia for the Environment, Ljubljana; The“Milan Vidmar” Electroinstitute, Ljubljana; Fac-ulty of Chemistry and Chemical Technology,University of Ljubljana; Unit for Pathology ofAnimal Nutrition and Environmental Hygiene(NVI, Veterinary Faculty, University of Ljubljana);Joèf Stefan Institute, Ljubljana; Slovenian In-stitute of Hop Research and Brewing, Agroche-mistry department, @alec; Faculty of Civil Engi-neering University of Maribor, Slovenian Na-tional Building and Civil Engineering Institute,Ljubljana; Laboratory for Astroparticle Physicsand Laboratory for Environmental Research(Nova Gorica Polytechnic); Eye Clinic (MedicalSchool, University of Ljubljana); Laboratory forBrain Research (Institute of Pathophysiology,Medical School, University of Ljubljana), allSlovenia etc.

80


- Laboratorij za astrofiziko osnovnih delcev inLaboratorij za raziskave v okolju, Univerza vNovi Gorici;

- O~esna klinika, Klini~ni center, Ljubljana;

- Laboratorij za raziskavo mo`ganov, In{titutza patolo{ko fiziologijo, Medicinska fakulteta,Univerza v Lljubljani idr.

V letu 2006 smo nadaljevali z izvajanjemraziskovalno-aplikativnega projekta z naslovom:Vpliv emisijskih virov na onesnaènje zraka s

trdnimi delci v sodelovanju z Elektroin{titutomMilan Vidmar in Termoelektrarno [o{tanj.

MEDNARODNO SODELOVANJEV letu 2006 so bili sodelavci Laboratorija zaanalizno kemijo vklju~eni v naslednje medna-rodne projekte:- INTROP (Interdisciplinary Tropospheric Re-

search: from the Laboratory to GlobalChange). Program evropske znanstvenefundacije; trajanje: 2004 – 2008; nacionalnakoordinatorka in ~lanica vodstvenega odbora:I. Grgi}.

- COST Action 633 »Particulate Matter: Prop-erties Related to Health Effects«, projektpoteka v okviru Evropske znanstvene funda-cije; trajanje: 2002 – 2007; nacionalnakoordinatorka ter podpredsednica COST 633:J. Tur{i~.

- Bilateralni projekt z naslovom: Razvoj novih

elektrokemijskih (mikro) senzorjev z uporabo

sodobnih materialov za meritve v biomedicini

in okoljevarstvu (BI-US/06-07/22) v okviruslovensko-ameri{kega znanstvenega sodelo-vanja; trajanje 2006 – 2007; partner: prof.Joseph Wang, Arizona State University;nosilec projekta: S. Ho~evar.

- Bilateralni projekt z naslovom: Mo`nosti

analize z lasersko ablacijo – induktivno

sklopljeno plazmo na podro~ju konzerva-

torstva/restavriranja kulturne dedi{~ine (steklo

in keramika) (BI-GB/06-021) v okviru sloven-sko-britanskega znanstvenega sodelovanja;partner: prof. Norman H. Tennent, Fyne Con-

In 2006, we continued carrying out the appliedresearch project entitled “Influence of Emissionon Ambient Air Pollution by Particulate Mat-ter” in collaboration with the “Milan Vidmar”Electroinstitute, Ljubljana and the Thermo-power plant [o{tanj, Slovenia.

INTERNATIONAL COLLABORATIONIn 2006, the Analytical Chemistry Laboratoryteam members were involved in the followinginternational projects:- A European Science Foundation Program

INTROP (“Interdisciplinary Tropospheric Re-search: from the Laboratory to GlobalChange”); duration: 2004 - 2008; nationalcoordinator and member of the SteeringCommittee: I. Grgi}.

- COST Action 633 project entitled “ParticulateMatter: Properties Related to Health Effects”in the frame of European Science Founda-tion; duration: 2002 - 2007; national repre-sentative and vice-chair of COST 633: J. Tur{i~.

- A bilateral project entitled “Development ofNovel Electrochemical (Micro)sensors UsingAdvanced Materials for Biomedical and Envi-ronmental Measurements” in the frameworkof S&T cooperation between Slovenia and theUSA, 2006 – 2007. Partner: Prof. JosephWang, Arizona State University, USA. P.I.: S.Ho~evar.

- A bilateral project entitled “Exploration of theScope of Laser Ablation – Inductively Cou-pled Plasma Analysis in the Field of Conser-vation-Restoration of Cultural Heritage Com-prising Glass and Ceramics” in the frameworkof S&T cooperation between Slovenia andGreat Britain. Partner: Prof. Norman H.Tennent, Fyne Conservation services, St.Catherine´s, Scotland, Great Britain. P.I.: J. T.van Elteren.

- A bilateral project entitled “ Modelling ofSeparation Mechanisms in Modern Ion Chro-matography: The Determination of Traces ofAnions and Cations in Complicated Matricesand New Sample Preparation Tools and Meth-

81


servation Services, St. Catherine´s, Scotland,UK; nosilec projekta: J. T. van Elteren.

- Bilateralni projekt z naslovom: Modeliranje

separacijskih mehanizmov v moderni ionski

kromatografiji: Dolo~anje sledov anionov in

kationov v kompleksnih vzorcih ter novi na~ini

pred piprave vzorcev (BI SLO-USA O7-07/29);partner: dr. Cristopher Pohl, Dionex Corpora-tion; nosilec projekta: Mi. Novi~.

- Bilateralni projekt z naslovom Nove aplikacije

in matemati~no modeliranje separacijskih

postopkov v ionski kromatografiji (BI-CN/06-07/10); partner: prof. Zhu Yan, Zhejiang Uni-versity, Department of Chemistry; nosilecprojekta: Mi. Novi~.

ods” in the framework of S&T cooperationbetween Slovenia and the USA. Partner: Ph.D.Cristopher Pohl, Dionex Corporation. P.I.: Mi.Novi~.

- A bilateral project entitled “New Applicationsand Mathematical Modelling of Ion Chroma-tography Separation Procedures” in theframework of S&T cooperation betweenSlovenia and China. Partner: Prof. Zhu Yan,Zhejiang University, Department of Chemis-try, China. PI: Mi. Novi~.

MAJOR EQUIPMENT- Inductively coupled plasma mass spectro-

meter (ICP-MS, Agilent Technologies, Model

SLIKA 2:

Voltametri~na zapisa in-vivo meritev dopamina (DA),

serotonina (S) in askorbata (AA) z elektrokemijskim

mikrosenzorjem v mo`ganih (striatum) anestezirane

poizkusne podgane po shemi, prikazani na sliki 1.

Voltamogram ozna~en s ~rtkano linijo predstavlja

meritev izvedeno tik pred smrtjo, voltamogram

ozna~en s polno linijo pa meritev izvedeno ca. 90 s

po nastopu smrti. Mo~no pove~anje tokovno-

napetostnega signala za ìv~ni prena{alec dopamin

takoj po smrti podgane je posledica kombinacije

izlo~anja dopamina ob nastopu smrti in zmanj{anega

delovanja encima monoamino-oksidaze ter prene-

hanja povratne regulacije nivoja dopamina.

FIGURE 2:

Voltammetric recordings of in-vivo measurements of

dopamine (DA), serotonin (S) and ascorbate (AA)

using an electrochemical microsensor in the brain

(striatum) of an anesthetized experimental rat, ac-

cording to the scheme displayed in Figure 1. The first

voltammogram (dashed line) was recorded just prior

to, and the second one (full line) approximately 90 s

after the rat’s death. A strong enhancement of the

current response signal of the neurotransmitter

dopamine is a consequence of a combination of con-

tinued dopamine secretion after death and a de-

creased activity of the monoamine-oxidase enzyme,

as well as the termination of the reverse regulation

of the dopamine level.

82


POMEMBNI IN[TRUMENTI IN OPREMA- Masni spektrometer z induktivno sklopljeno

plazmo (ICP-MS, Agilent Technologies, model

7500 ce&cs z dodatno opremo.

- Instrument za lasersko ablacijo, New WaveResearch, model UP 213 A/F.

- Masni spektrometer z induktivno sklopljenoplazmo (ICP-MS, Hewlett Packard, model HP4500 PLUS) s HPLC modulom in UV/Visspektrometrom (DAD, Agilent, 1100 Series).

7500 ce&cs with additional accessories)

- Instrument for laser ablation (New Wave Re-search, Model UP 213 A/F)

- Inductively coupled plasma mass spectro-meter (ICP-MS, Hewlett Packard, Model HP4500 PLUS) with the HPLC module and di-ode array spectrophotometric detector(Agilent, 1100 Series)

- Inductively coupled plasma atomic emissionspectrometer (ICP-AES, Thermo Jarrell Ash,

SLIKA 3:

Direktna multielementna analiza prsti (v obliki

pre{anega prahu) z uporabo sklopljenega analiznega

sistema laserska ablacija - masni spektrometer z

induktivno sklopljeno plazmo (LA-ICP-MS); grafitni

prah, dopiran z Ru, Rh in Os kot internimi standardi,

je sluìl kot vezivo pri pripravi tablete. Zgoraj levo:

fotografija uporabljene LA-ICP-MS instrumentacije;

zgoraj desno: tabletka s stisnjenim vzorcem prsti

(sponka je priloèna za primerjavo velikosti) in

milroskopska slika ablacijskega kraterja (premer 80

mm), ki ga je izdolbel laserski àrek; spodaj: rezultati

analize vzorca standardnega materiala prsti prikazani

v obliki odmikov od certificiranih vrednosti za

koncentracije 26-tih merjenih elementov.

FIGURE 3:

Direct multi-elemental analysis of soil (in pressed

powder form) using a hyphenated laser ablation –

inductively coupled plasma mass spectrometer (LA-

ICP-MS) system; graphite doped with Ru, Rh and Os

is used as a binder with internal standardization prop-

erties. Top left: photo of the LA-ICP-MS instrumenta-

tion used; top right: pellet fabricated and a micro-

scope image of an ablation crater

83


Model Atomscan 25) equipped with an ul-trasonic nebulizer (Cetac, Model U-6000 AT)

- High resolution scanning electron microscope(SEM) (Carl Zeiss, model SUPRA 35 VP),equipped with an energy dispersive X-raySpectrometer (EDX) (Oxford Instruments,model Inca 400) /SEM/EDX is shared withsome other institute’s research units

- UV/Vis spectrophotometer (Perkin Elmer,model Lambda 25)

- Ion chromatography (IC) system with conduc-tivity and spectrophotometric detection

- Flow injection analyzer (ASIA Ismatec)

- Three computer assisted electrochemicalworkstations (Autolab, Eco Chemie) and aportable electrochemical system (PalmSens)

- Inverted optical microscope (Eclipse, Nikon)

- Microelectrode fabrication tools (capillarypuller, stereo-zoom microscope, micro-electrode beveller, computerised microman-ipulator, etc.)

- Reaction chamber for the investigation ofaerosol particle reactivity under controlledconditions

- Equipment for aerosol sampling (low-pres-sure Berner-type cascade impactors)

- Microwave oven for sample digestion (MLS1200 MEGA, Milestone)

- Micro and analytical balances (Sartorius)placed in a specialised air conditioned (tem-perature and humidity control) room equip-ped with an ion emitter

- Water purification system (Millipore) includ-ing Elix and Milli-Q Gradient units

EDUCATION AND IMPORTANT VISITSVisits abroad:- J.T. van Elteren, 6-week research visit to Prof.

P. R. D. Mason, Utrecht University, The Neth-erlands.

- L. Mauko, 3-week study visit to Prof. K.Kalcher, Institute of Chemistry, Karl-FranzensUniversity, Graz, Austria.

- Atomski emisijski spektrometer z induktivnosklopljeno plazmo (ICP-AES, Thermo JarrellAsh, Model Atomscan 25) opremljen zultrazvo~nim razpr{ilcem (Cetac, model U-6000 AT).

- Vrsti~ni elektronski mikroskop z visokolo~ljivostjo (SEM) (Carl Zeiss, model SUPRA35 VP) opremljen z energijsko disperzijskimspektrometrom (EDX) (Oxford Instruments,model Inca 400/SEM/EDX je skupna opremave~ organizacijskih enot na in{titutu.

- UV/Vis spektrofotometer (Perkin Elmer, modelLambda 25).

- Sistem za ionsko kromatografijo (IC) skonduktometri~no in spektrofotometri~nodetekcijo.

- Preto~no injekcijski analizator (ASIA Ismatec)

- Tri ra~unalni{ko vodene elektrokemijskedelovne postaje (Autolab, Eco Chemie) in enprenosni elektrokemijski sistem (PalmSens).

- Invertni opti~ni mikroskop (Eclipse, Nikon).

- Oprema za izdelavo mikroelektrod (aparat zavle~enje kapilar, stereo le~a, aparat zabru{enje mikroelektrod, ra~unalni{ko vodenimikromanipulator idr.).

- Reakcijska komora za raziskovanje reak-tivnosti aerosolskih delcev pod kontroliranimipogoji.

- Oprema za vzor~evanje aerosolov z Berner-jevimi nizkotla~nimi 10-stopenjskim kaskad-nimi impaktorji.

- Mikrovalovna pe~ za razklope (MLS 1200MEGA, Milestone).

- Sistem za pripravo ~iste in ultra~iste vode(Millipore) z Elix in Milli-Q Gradient enotama.

- Mikro in analizne tehtnice (Sartorius)name{~ene v specialno klimatizirani tehtalnici(kontrola temperature in vlage) opremljeni zionizatorjem.

84


IZOBRA@EVANJE IN OBISKI / GOSTOVANJAObiski v tujino:- J.T. van Elteren je bil na 6-tedenskem

delovnem obisku pri prof. P. R. D. Masonu naUtrecht University, Nizozemska.

- L. Mauko je bila na 3-tedenskem izpopol-njevanju pri prof. K. Kalcherju na Institute ofChemistry, Karl-Franzens University, Graz,Avstrija.

- J.T. van Elteren je bil na enotedenskemdelovnem obisku pri prof. N. H.Tennantu vFine Conservation Services, Glasgow, VelikaBritanija.

- J.T. van Elteren je bil na enotedenskemdelovnem obisku pri prof. A.C. Cefalasu naTheoretical and Physical Chemistry Institute,National Hellenic Research Foundation,Atene, Gr~ija.

- Mi. Novi~ je bil na 10-dnevnem delovnemobisku v Dionex, Sunnyvaley, CA, ZDA.

- S. Ho~evar je bil na 8-dnevnem delovnemobisku pri prof. S. Danieleju na University ofVenice, Benetke, Italija.

- S. Ho~evar je bil na 3-tedenskem delovnemobisku pri prof. J. Wangu na Center forBioelectronics and Biosensors, Arizona StateUniversitye, Tempe, AZ, ZDA.

Obiski iz tujine:- Michael Beeston z University of Exeter (Velika

Britanija) je bil na ve~ mese~nem delovnemobisku in je pod vodstvom somentorja dr. vanElterena opravljal raziskovalno delo zadoktorsko disertacijo.

- Prof. N. H. Tennant s Fine Conservation Serv-ices, Glasgow, Velika Britanija, je bil naenotedenskem delovnem obisku v okvirubilateralnega projekta.

- Doc. dr. Valentin Mir~eski z Univerze v Skopju,Makedonija, je bil na 3-dnevnem delovnemobisku.

- J.T. van Elteren, one-week research visit toProf. N. H. Tennant, Fine Conservation Serv-ices, Glasgow, Scotland.

- J.T. van Elteren, one-week research visit toProf. A. C. Cefalas, Theoretical and PhysicalChemistry Institute, National Hellenic Re-search Foundation, Athens, Greece.

- Mi. Novi~, 10-day research visit to Dionex,Sunnyvaley, CA, USA.

- S. Ho~eva, 8-day research visit to Prof. S.Daniele, University of Venice, Venice, Italy.

- S. Ho~evar, 3-week research visit to Prof. J.Wang, Center for Bioelectronics and Bio-sensors, Arizona State University, Tempe, AZ,USA.

Visits from abroad:- Mr. Michael P. Beeston from the University of

Exeter, Great Britain, has been on a severalmonth work visit under the supervision of hisco-mentor, Dr. van Elteren from our labora-tory to perform part of his Ph.D. researchprogram.

- Prof. N. H. Tennant, Fine Conservation Serv-ices, Glasgow, Scotland, one-week visit in theframework of a bilateral project.

- Prof. Valentin Mir~eski University of Skopje,Macedonia, three-day work visit.

85

Laboratorij za kemijo, biologijo in tehnologijo vodLaboratory for Chemistry, Biology and Technology of Water

L05Laboratorij za kemijo,biologijo in tehnologijo vod

Laboratory for Chemistry,Biology and Technology of Water

VODJA / HEADProf. dr. Milenko Ro{

RAZISKOVALCI / RESEARCHERSdr. Magda Cotmandoc. dr. Andreja Drolcdoc. dr. Tatjana Ti{lerdr. Janez Vrtov{ekprof. dr. Jana Zagorc Kon~andr. Gregor D. Zupan~i~

MLADI RAZISKOVALCI /YOUNG RESEARCHERSAnita JemecTanja Kurbus

TEHNI^NO OSEBJE / TECHNICAL STAFFJelka JelnikarEmil MedenMatja` Omerzel

PRIPRAVNIKI / TRAINEESCarolina Miranda Ribeiro (IAESTE)Jan Zupan~i~ (1 mese~na dija{ka praksa / 1month)Kristina Krajnc (6 mese~na {tudentska praksa /6 months)Petra Igli~ar (3 mese~na {tudentska praksa / 3months)

86


PODRO^JA DEJAVNOSTIa) Raziskovalni program:- Integralni pristop k prepre~evanju onesna-

èvanja voda (Ministrstvo za visoko {olstvo,znanost in tehnologijo, Univerza v Ljubljani);nosilec: M. Ro{.

b) Raziskovalni in razvojni projekti:- Meroslovna sledljivost v kemiji – vloga

referen~nih materialov in referen~nih merjenj(Ministrstvo za visoko {olstvo, znanost intehnologijo, Univerza v Ljubljani); nosilka: A.Drolc;

- Razvoj postopka za stabilizacijo, minera-lizacijo in higienizacijo blata iz malih ~istilnihnaprav (Ministrstvo za visoko {olstvo, znanostin tehnologijo, Univerza v Ljubljani, Komu-nalno podjetje Velenje); nosilec: G. D.Zupan~i~;

- Kemijsko in biolo{ko sledenje neonukleotidovin njihovega vpliva v okolju (Ministrstvo zavisoko {olstvo, znanost in tehnologijo,Univerza v Ljubljani); nosilka: P. Treb{e,Politehnika Nova Gorica;

- Biolo{ki testi za ugotavljanje toksi~nosti in

RESEARCH ACTIVITIESa) Research programme- Integrated Approach to Water Pollution Pre-

vention (Ministry of Higher Education, Sci-ence and Technology, Republic of Slovenia)– Principal investigator: M. Ro{

b) Research and applied projects:- Metrological Traceability in Chemistry – Role

of Reference Materials and Reference Meas-urements (Ministry of Higher Education,Science and Technology, Republic ofSlovenia) – Principal investigator: A. Drolc;

- Procedure Development for Stabilization,Mineralization and Hygienization ofWastewater Sludge from Small WWTP (Min-istry of Higher Education, Science and Tech-nology, Republic of Slovenia, Municipalityof Velenje) – Principal investigator: G. D.Zupan~i~;

- Chemical and Biological Monitoring ofNeonicotinoids and Their Impact Assess-ment in the Environment (Ministry of HigherEducation, Science and Technology, Repub-lic of Slovenia) - Principal researcher: Dr.

87


genotoksi~nosti vode, zemlje in hrane(Ministrstvo za visoko {olstvo, znanost intehnologijo, Univerza v Ljubljani); nosilka: R.Marin{ek Logar, Biotehni{ka fakulteta;

- Razvoj celovitega sistema za ugotavljanjetoksi~nosti in genotoksi~nosti v zemlji, vodiin hrani v soglasju s smernicami Evropskeunije (Ministrstvo za visoko {olstvo, znanostin tehnologijo, Univerza v Ljubljani); nosilka:R. Marin{ek Logar, Biotehni{ka fakulteta;

- Preu~evanje {kodljivih u~inkov in mehanizmovdolgotrajnega delovanja organofosfornihsnovi na ljudi, ìvali in okolje in na~rtovanjeustreznih protiukrepov; vodja projekta:Matja` Harmel, Oikos, Domàle;

- Organiziranje medlaboratorijskih primerjav zalaboratorije, ki izvajajo monitoring odpadnihvod (Ministrstvo za okolje in prostor, AgencijaRS za okolje);

- Zagotavljanje sledljivosti (Urad RepublikeSlovenije za meroslovje);

- Pridobivanje obnovljive energije iz organskihsubstratov (Pivovarna Union, Ljubljana; Lekd.d., Ljubljana).

d) Center odli~nosti – okoljske tehnologijeSodelovanje na projektih:- Razvoj novih metod za ~i{~enje odpadnih vod

v SBR;

- Biolo{ka stabilizacija blata.

e) Vzdrèvanje sistema kakovosti v skladu sstandardom SIST EN ISO/IEC 17025.

BIBLIOGRAFIJA3 izvirni znanstveni ~lanki2 poljudna ~lanka1 drugi ~lanek ali sestavek1 objavljeni znanstveni prispevek na

konferenci (vabljeno predavanje)1 objavljeni strokovni prispevek na

konferenci (vabljeno predavanje)15 objavljenih znanstvenih prispevkov na

konferencah4 objavljeni strokovni prispevki na konfe-

rencah

Polonca Treb{e (University of Nova Gorica);

- Biological Tests for Toxicity and GenotoxicityDetermination in Water, Soil, and Food (Min-istry of Higher Education, Science and Tech-nology, Republic of Slovenia) - Principal re-searcher: Prof. Dr. Romana Marin{ek Logar(Biotechnical faculty, University of Ljubljana);

- Development of an integrated system forassessment of toxicity and genotoxicity in soil,water and food in concordance with the EUdirectives (Ministry of Higher Education, Sci-ence and Technology, Republic of Slovenia) -Principal researcher: Prof. Dr. RomanaMarin{ek Logar (Biotechnical faculty, Univer-sity of Ljubljana);

- Study of harmful effects and mechanisms oflong term exposures of organophosphoruscompounds to human, animals and environ-ment and plans for corresponding preven-tive measures, Principal researcher: Matja`Harmel, Oikos, Domàle, Slovenia;

- Organization of Interlaboratory Comparisonsfor Slovenian Laboratories which PerformMonitoring of Waste Water (Agency for theEnvironment);

- Renewable Energy – Biogas Production fromVarious Organic Substrates (Union Brewery,Ljubljana, Slovenia, pharmaceutical substrate– Lek d.d., Ljubljana, Slovenia).

d) EU Centre of excellence – environmentaltechnologies- Participation on projects:

- Development of waste water treatment pro-cedures in SBR

- Biological sludge treatment

e) Operation of laboratory according to require-ments of the standard SIST EN ISO/IEC 17025

BIBLIOGRAPHY3 Original Scientific Articles2 Popular Articles1 Other Article or Component Part1 Published Scientific Conference Contribu-

tion (Invited Lecture)

88



3 prispevki na konferencah brez natisa7 vabljenih predavanj na konferenci brez

natisa8 kon~nih poro~il o rezultatih raziskav6 elaboratov, pred{tudij, {tudij4 diplome2 magisterija

GLAVNI DOSE@KI V LETU 2006- Preu~evali smo kinetiko procesov biolo{kega

~i{~enja v dveh {ar`nih reaktorjih pri visokistarosti oziroma koncentraciji biomase (X >10 g/L). Prvi reaktor je deloval s klasi~notehnologijo z dispergirano biomaso, vdrugem pa smo uvajali novo tehnologijo~i{~enja z granulirano biomaso. V obehreaktorjih smo dosegli visoko u~inkovitost~i{~enja ob odli~nih usedalnih lastnostihblata.

- Izvedli smo tudi prve preskuse na podro~juseparacije mikroorganizmov z membranami(filtri). Kot filter smo uporabili material,katerega delovanje ne temelji na velikosti por,temve~ na lastnostih nano delcev dodanegaanorganskega materiala. Ti preskusi bodosluìli kot osnova za {tudij na podro~jumembranskih bioreaktorjev (MBR).

- Razvili smo nov proces za namen pridobivanjabioenergije: anaerobne obdelave odpadnihgo{~ in mo~no obremenjenih voda, kjerobremenitev reaktorja lahko 2,5 krat preseèobremenitev obi~ajnega procesa.

- Razvili smo aerobno tehnologijo obdelaveblata za majhne ~istilne naprave. Proces jeprirejen za ^N do 5000 PE. Uporabili smoautotermalni efekt za dosego higienizacijeblata, pri tem pa smo precej pove~ali u~inekodstranitve organskih komponent in hraniv,kot je amonijev du{ik.

- Dolo~ili smo tehnologijo obi~ajne anaerobnesoobdelave iz~rpanega odve~nega micelija izproizvodnje farmacevtskih u~inkovin zdrugimi obi~ajnimi substrati do te mere, da

1 Published Professional ConferenceContribution (Invited Lecture)

15 Published Scientific Conference Contribu-tions

4 Published Professional ConferenceContributions

12 Published Scientific Conference Contribu-tion Abstracts

3 Unpublished Conference Contributions7 Unpublished Invited Lectures at a

Conference8 Final Research Reports6 Treatises, Preliminary Studies, Studies4 Undergraduate Theses2 Master’s Theses

IMPORTANT ACHIEVEMENTS IN 2006- Biological treatment processes were studied

in two Sequencing Batch Reactors (SBRs). Inthe first SBR (anoxic/aerobic) high flocculentbiomass concentration (X > 10 g/L) wasachieved with long solid retention time (SRT).In the second SBR (aerobic) high biomassconcentration (X > 10 g/L) was achieved withgranulation. High treatment efficiency andgood biomass settling properties were real-ised in both SBRs.

- Basic microfiltration tests with nano mate-rial membranes were performed for the in-troduction of the Membrane BioReactor(MBR) technology.

- We developed the technology for the anaero-bic treatment of organic waste and slurries.The process is designed to sustain 2.5 timeshigher organic loads than conventional proc-esses.

- We developed an aerobic treatment of wastesludge from small WWTP’s. The technologyis suitable for WWTP’s up to 5000 PE. Weused auto-thermal properties to achievepathogen removal and at the same timemanaged to substantially increase volatilesolids removal and nitrogen ammonia re-moval as well.

89


je proces pridobivanja bioplina nemoten inda ostanek obdelave ni {kodljiv okolju.

- Razvili smo metode za dolo~anje subletalnihvplivov strupenih snovi na aktivnosti bio-kemijskih biomarkerjev v rakih vodne bolhe(Daphnia magna), ki nam omogo~ajozaznavanje sprememb è pri nizkih koncen-tracijah strupenih snovi v vodi. Vodne bolhesmo za 21 dni izpostavili kromu, kadmiju inrazli~nim pesticidom ter ugotavljali preìvetjein razmnoèvanje vodnih bolh ter dolo~iliaktivnosti acetilholinesteraze, glutation S-transferaze in katalaze.

- Uvedli smo biolo{ki preskus za dolo~anjeprisotnosti estrogenov in drugih kseno-estrogenih motilcev hormonskega sistema vodpadnih vodah s kvasovko Saccharomyces

cerevisiae.

- Nadaljevali smo tudi z optimizacijo ATPmetode za dolo~anje strupenosti dotokov nabiolo{ke ~istilne naprave v smislu primerjaveob~utljivosti z è uveljavljenima testomastrupenosti z bakterijami Vibrio fischeri inmikroorganizmi aktivnega blata.

- We also developed the technology for theconventional anaerobic treatment of wastemycelia from pharmaceutical industry pro-duction combined with other common or-ganic substrates. We managed to sustain andincrease biogas production from mycelia aswell as to produce treatment residue, whichcan be used as fertilizer without adverse ef-fects to environment.

- We developed the methods for determiningsub lethal effects of pollutants on the activ-ity of biochemical biomarkers in the waterflea Daphnia magna with the aim to detectearly changes at cellular levels in aquatic or-ganisms at low toxic concentrations of chemi-cals. Methods for measuring the activity ofbiochemical biomarkers were optimised af-ter long term, chronic exposure to toxicchemicals. During 21 days of exposure tochromium, cadmium and pesticides the sur-vival and reproduction of water fleas waschecked and the activity of acetyl cholineste-rase, glutathione S-transferase and catalasewere determined.

SLIKA 1:

~istilna naprava Javor Furnir, Prestranek

FIGURE 1:

Industrial wastewater treatment plant Javor Furnir,

Prestranek

90


- Na podro~ju meroslovja v kemiji smo razvilimetodologijo za pripravo referen~nihmaterialov za izbrane merjene veli~ine obupo{tevanju vseh zna~ilnosti, ki bi lahkovplivale na integriteto testnih vzorcev,predvsem homogenost in stabilnost vzorcev.Pripisane vrednosti merjenih veli~in referen-~nih materialov, ki smo jih uporabili pri izvedbimedlaboratorijske primerjave, smo dolo~ili naosnovi referen~nih merjenj. Referen~namerjenja smo izvajali na osnovi validiranihmetod, pri ~emer so bili rezultati merjenjsledljivi do mednarodnih referenc z ocenjenomerilno negotovostjo. Uspe{nost sodelovanjalaboratorijev smo ovrednotili z izra~unom Z-rezultata.

- A bioassay with modified yeast Saccharomy-

ces cerevisiae which contain human receptorin genome was introduced to detect estro-gens and xenoestrogens in waste waters.

- Sensitivity of the ATP method proposed fortoxicity measurement of inflows into biologi-cal waste water treatment plants was com-pared with standardised methods using bac-teria Vibrio fischeri and micro-organisms ofactivated sludge.

- In the field of metrology in chemistry a meth-odology for the preparation of referencematerials for selected measurands was de-veloped. All the indications that could affectthe integrity of test samples, such as stability

SLIKA 2:

Organizmi v aktivnem blatu iz SBR – pove~ava-10×

FIGURE 2:

Organisms in the activated sludge from SBR – mag-

nification-10×

91


and homogeneity were taken into account.Reference values of the test material, whichare the base for evaluating results, were de-termined using reference measurements.Reference measurements were performedusing validated methods – results were trace-able to international references and meas-urement uncertainty of the results was evalu-ated. The laboratory’s performance wasevaluated by calculating Z-score.

- The quality system of the Laboratory forChemistry, Biology and Technology of Waterwas successfully presented at EUROMET con-ference – TC Quality, in February 2006 inMalta.

- We provided two distributions of samples inthe ILC-Waste Water and organized an inter-national workshop together with JRC-IRMMBelgium.

- The ILC-Waste Water is registered in the EPTISdatabase.

COLLABORATION WITH INDUSTRIAL ANDOTHER PARTNERS- Biotechnical Faculty: Departments for Biol-

ogy and Zootechnic, University of Ljubljana,Slovenia;

- Dr. Duhovnik d.o.o., Seni~ica, Slovenia;

- Esotech d.d., Velenje, Slovenia;

- Faculty for Chemistry and Chemical Technol-ogy, University of Ljubljana, Slovenia;

- Geological Survey of Slovenia, Ljubljana,Slovenia;

- Institute for Physical Biology, Grosuplje,Slovenia;

- Public Utility Energetics, Ljubljana, Slovenia;

- Municipality of Velenje, Velenje, Slovenia;

- LEK - Sandoz Company, Ljubljana, Slovenia;

- Ministry of Environment and Spatial planning

- Environmental Agency, Republic of Slovenia;

- Nuclear Power Plant Kr{ko, Kr{ko, Slovenia;

- Oikos, Development Consulting, Domàle,Slovenia;

- Uspe{no smo predstavili sistem kakovostiLaboratorija za kemijo, biologijo in tehnolo-gijo vod na konferenci EUROMET – tehni~niodbor Kakovost, Malta, februar 2006.

- Izvedli smo dve medlaboratorijski primerjaviza slovenske in tuje laboratorije, ki izvajajomonitoring odpadnih vod in mednarodnodelavnico na podro~ju meroslovja v kemiji,skupaj z JRC-IRMM, Belgija.

- Bili smo vpisani v mednarodno bazo EPTIS(BAM Nem~ija), kot prva in edina slovenskashema medlaboratorijskih primerjav.

SODELOVANJE Z INDUSTRIJSKIMI INDRUGIMI PARTNERJI- Biotehni{ka fakulteta: Oddelek za biologijo

in Oddelek za zootehniko, Univerza vLjubljani;

- Dr. Duhovnik d.o.o., Seni~ica;

- Esotech d.d., Velenje;

- Fakulteta za kemijo in kemijsko tehnologijo,Univerza v Ljubljani;

- Geolo{ki zavod Slovenije, Ljubljana;

- In{titut za fizikalno biologijo, Grosuplje;

- Komunalna Energetika Ljubljana (KEL),Ljubljana;

- Komunalno Podjetje Velenje d.o.o., Velenje;

- LEK d.d., Ljubljana;

- Ministrstvo za okolje in prostor – AgencijaRS za okolje, Ljubljana;

- Nuklearna elektrarna Kr{ko, Kr{ko;

- Oikos, Svetovanje za razvoj, Domàle;

- Pivovarna Union, Ljubljana;

- Univerza v Novi Gorici, Nova Gorica;

- Urad Republike Slovenije za meroslovje,Ljubljana;

- Veterinarska fakulteta, Univerza v Ljubljani;

- Zavod za gradbeni{tvo Slovenije (ZAG),Ljubljana.

92


- Union Brewery, Ljubljana, Slovenia;

- University of Nova Gorica, Faculty for Envi-ronmental Sciences, Nova Gorica, Slovenia;

- Metrology Institute of the Republic ofSlovenia;

- Veterinary faculty, University of Ljubljana,Slovenia;

- Slovenian National Building and Civil Engi-neering Institute, Ljubljana.

INTERNATIONAL COLLABORATION- European Analytical Quality Control via Wa-

ter Information System for Europe (EAQC-WISE), 6. FP, 2005-2008, Contract no.022603;

- Training in Metrology in Chemistry (TrainMiC).

MEDNARODNO SODELOVANJE- European Analytical Quality Control via Wa-

ter Information System for Europe (EAQC-WISE), 6. OP, 2005-2008, pogodba {t.022603

- Training in Metrology in Chemistry (TrainMiC)

POMEMBNI IN[TRUMENTI IN OPREMA- Anaerobni reaktor z opremo,

- anaerobni SBR reaktor,

- ATAD-SBR reaktor,

- avtomatizirani respirometer (MICRO-Oxymax6.0, Columbus Instruments),

- avtomatizirani {ar`ni biolo{ki reaktor ([BR),

- ~italec mikrotiterskih plo{~ (Bio-tek, Micro-Wave XS),

SLIKA 3:

Odlo~ba o priznanju etalona v okviru nacionalnega

etalona za mnoìno snovi

FIGURE 3:

Designation of holder of the national standard in the

frame of national standard for the unit amount of

substance

93


MAJOR EQUIPMENT- Anaerobic reactor with equipment;

- Anaerobic SBR reactor;

- ATAD-SBR reactor;

- Automated respirometer (MICRO-Oxymax6.0, Columbus Instruments);

- Automated sequencing Batch Reactor (SBR);

- Micro-plate reader (Bio-tek, Micro-Wave XS);

- Ion chromatograph (DIONEX 120) with au-tomated sampler (DIONEX);

- Kjeltec system 2300 Auto system II (FOSSTecator) for Kjeldahl N determination;

- Combined anaerobic-anoxic reactors;

- Laboratory wastewater treatment plants;

- Laboratory river models;

- LUMIS-TOX apparatus (dr. Lange);

- Spectrophotometer Lambda 20 (Perkin-Elmer) ;

- Agilent Technologies 6890 N GC System +5973 Mass selective Detector;

- TOC analyser TOC-5000A (SHIMADZU).

EDUCATION AND IMPORTANT VISITSEducation:- Dr. Andreja Drolc, Assist. Prof., is qualified as

a university teacher for the field Environmen-

tal Protection; she lectures on the subject ofAir, Water and Soil Pollution (University ofNova Gorica, Slovenia);

- Prof. Dr. Milenko Ro{ is qualified as a univer-sity teacher for the field of Water Pollution

and Protection; he lectures the subject ofWater Protection (University of Nova Gorica,Slovenia);

- Dr. Tatjana Ti{ler, Assist. Prof., is qualified asa university teacher in the field of Toxicol-

ogy; she lectures the subject Ecotoxicology

(University of Nova Gorica, Slovenia).

Important visits:- Preparation of the module “Sampling” mod-

ule in the frame of TrainMiC (Training ofMeasurements in Chemistry) project, at the

- ionski kromatograf (DIONEX 120) s samodej-nim vzor~evalnikom,

- Kjeltec sistem 2300 Autosystem II (FOSSTecator) za razklop in dolo~anje Kjeldahlovegadu{ika,

- kombinirani anaerobno-anoksi~noaerobnireaktorji (KI),

- laboratorijski modeli biolo{kih ~istilnih naprav,

- laboratorijski modeli rek,

- LUMIS-TOX aparatura (dr. Lange),

- spektrofotometer Lambda 20 (Perkin-Elmer)Agilent Technologies 6890 N GC System +5973 Mass selective Detector,

- TOC analizator TOC-5000A (SHIMADZU).

IZOBRA@EVANJE IN OBISKI / GOSTOVANJAIzobraèvanje:- Doc. dr. Andreja Drolc je habilitirana na

podro~ju varstva okolja in predava predmetOnesnaèvanje zraka, vode in tal (Univerza vNovi Gorici);

- prof. dr. Milenko Ro{ je habilitiran za podro~jeonesnaèvanje in za{~ita voda in predavapredmet Za{~ita voda (Univerza v Novi Gorici);

- doc. dr. Tatjana Ti{ler je habilitirana zapodro~je toksikologije in predava predmetEkotoksikologija (Univerza v Novi Gorici).

Obiski in gostovanja:- Priprava modula “Sampling” v okviru

TrainMiC (Training in Metrology in Chemis-try) projekta, na In{titutu za referen~nemateriale in merjenja, Geel, Belgija (JRC-IRMM) (M. Ro{);

- mentorstvo in somentorstvo ter delovnomentorstvo diplomskih, magistrskih indoktorskih del (M. Cotman, A. Drolc, M. Ro{,T. Ti{ler, J. Vrtov{ek, J. Zagorc-Kon~an, G.Zupan~i~);

- soorganizacija delavnice TraiMiC, skupaj zJRC-IRMM, Geel, Belgija (M. Ro{, M. Cotman,A. Drolc),

- soorganizacija konference z mednarodnoudele`bo, VODNI DNEVI 2006, kjer so

94


sodelavci laboratorija sodelovali kot predava-telji;

- udele`ba na AQUAbase workshop: Risk as-sessment of organic micro pollutants in theaquatic environment, Aachen, Nem~ija; 28.– 29. 11. 2006 (T. Ti{ler, A. Jemec);

- strokovna praksa v organizaciji IAESTELjubljana (Carolina Miranda Ribeiro);

- udele`ba in predavanje na TrainMiC Jambo-ree, Geel, Belgija, 16. – 21. junij 2006 (M.Ro{ in A. Drolc).

Kemijski in{titut, Laboratorij za kemijo, biologijoin tehnologijo vod je bil februarja 2006 s straniUrada RS za meroslovje imenovan za nosilca

etalona v okviru nacionalnega etalona enote

mnoìna snovi (podro~je: varovanja okolja, vrstavzorca: odpadne in povr{inske vode).

Institute for Reference Materials and Meas-urements, Geel, Belgium (JRC-IRMM) (M.Ro{).

- Mentorship for diploma, masters and doc-toral theses (M. Cotman, A. Drolc, M. Ro{, T.Ti{ler, J. Vrtov{ek, J. Zagorc-Kon~an, G.Zupan~i~).

- Co-organisation of TrainMiC workshop, withJRC-IRMM, Geel, Belgium (M. Ro{, M.Cotman, A. Drolc).

- Co-organisation of the conference as well asinternational participation, Water Days 2006,co-workers of the Laboratory were also lec-turers.

- Participation at AQUAbase workshop: RiskAssessment of Organic Micro Pollutants inthe Aquatic Environment, Aachen, Germany;November 28 – 29, 2006 (T. Ti{ler, A. Jemec)

- Technical practice for IAESTE Ljubljana (Caro-lina Miranda Ribeiro)

- Participation and lecture at TrainMiC Jambo-ree, Geel, Belgium, June 16 – 21, 2006 (M.Ro{ and A. Drolc)

National Institute of Chemistry, Laboratory forChemistry, Biology and Technology of Waterhave been designated by the Metrology Insti-tute of the Republic of Slovenia as the holder

of national standard in the frame of national

standard for amount of substance (area: Envi-ronmental protection, sample: wastewater andsurface water)

95

Laboratorij za prehrambeno kemijoLaboratory for Food Chemistry

L06Laboratorij za prehrambeno kemijo

Laboratory for Food Chemistry

VODJA / HEADDr. Mirko Pro{ek

RAZISKOVALCI / RESEARCHERSDr. Alenka Golc-WondraDr. Breda SimonovskaDr. Andrej [midovnikDr. Irena Vovk

MLADI RAZISKOVALCI /YOUNG RESEARCHERSMaja FirVesna GlavnikMitja Kri`manMitja MartelancKajetan Tro{t

TEHNI^NO OSEBJE / TECHNICAL STAFFMateja Puklavec

PRIPRAVNIKI / TRAINEESBarbara Kapun

96


RESEARCH ACTIVITIESResearch activities are oriented toward scien-tifically designed food for healthy nutrition. Theyare divided into five main fields:- Development of new food products and food

additives with functional activities

- Evaluation of special food and food engineer-ing

- Investigation of compounds from naturalsources by modern chromatographic andspectroscopic techniques

- Development and validation of new analyti-cal techniques and methods

- Minimization of chemical hazards in foodproduction according to GLP, GMP andHCCAP

BIBLIOGRAPHY7 Original Scientific Articles1 Published Scientific Conference Contribu-

tion18 Published Scientific Conference Contribu-

tion Abstracts1 Patent Application

PODRO^JA DEJAVNOSTIRaziskovalno delo v Laboratoriju za prehram-beno kemijo (L06) je usmerjeno na podro~jerazvoja prehranskih dodatkov in vrednotenjaspojin naravnega izvora. Delo poteka v petihpodskupinah, in sicer:- na razvoju novih prehrambenih izdelkov in

prehranskih dodatkov s funkcionalnimilastnostmi;

- na pripravi in vrednotenju specialne prehranein na prehrambenem inèniringu;

- na dolo~anju spojin naravnega izvora ssodobnimi kromatografskimi in spektro-skopskimi tehnikami;

- na razvoju in validaciji novih analiznih metodin analiznih tehnik;

- na prepre~evanju kemijskih tveganj zupo{tevanjem dobrih praks (GLP in GMP) prirazvoju in validaciji analiznih metod,tehnolo{ke validacije, validacije ~i{~enja inHCCAP-a.

97


1 Patent3 Undergraduate Theses

IMPORTANT ACHIEVEMENTS IN 2006Research activities in L06 were oriented towardfood and analytical chemistry and, togetherwith partners from industry, also on the evalu-ation of new pharmaceutical products and ac-tive substances where our projects were focusedin development, optimization, validation andapplication of new analytical techniques andmethods. Separation, spectroscopic and hy-phenated techniques were successfully used forquantitative evaluation of food products andpharmaceutical and biological samples.Together with the partners from other researchinstitutions selected active substances fromplants and animals, important for humanhealth, were evaluated. We developed and vali-dated different analytical methods for the quan-titative determination of cholesterol, antioxi-dants, vitamins and provitamins.Together with the Veterinary clinic we devel-oped a new HPLC-MS method for quantitativeevaluation of sugars in the blood. This methodwas successfully used for evaluating damagesproduced by some pharmaceutical products ondogs’ intestines.A national patent application for water solubleCoenzyme Q10 was filed in Europe, the USA,Russia and Israel. This invention received theGolden Recognition Award from the Chamberof Commerce of Slovenia. A licensing agree-ment for the production and marketing ofwater soluble Coenzyme Q10 in Slovenia andabroad was also made. In 2006, nine productswere launched in eight countries on the basisof this patent. The licensing partners were of-fered professional support as needed to developproducts and to set-up production and mar-keting.Some new functional food products with in-creased amount of CoQ10 were prepared andevaluated. Milk, yogurt, kefir, chocolate, andjuices were prepared and evaluated with chemi-cal and organoleptic tests, and the stability of

BIBLIOGRAFIJA7 izvirnih znanstvenih ~lankov1 objavljeni znanstveni prispevek na

konferenci18 objavljenih povzetkov znanstvenih

prispevkov na konferencah1 patentna prijava1 patent3 diplome

GLAVNI DOSE@KI V LETU 2006Raziskave so potekale na podro~ju prehrambenein analizne kemije in v sodelovanju z zunanjimipartnerji pri razvoju novih prehrambenihdodatkov in ̀ ivil obogatenih s koencimom Q10.Razvojno raziskovalne naloge so bile vezane narazvoj, optimizacijo, validacijo in uporabo raznihanaliznih tehnik in metod. Pri vrednotenjuprehrambenih in farmacevstkih izdelkov, kakortudi pri zasledovanju aktivnih komponent vbiolo{kih poizkusih, smo uspe{no uporabljaliseparacijske in spektroskopske tehnike in njihovepovezave.V sodelovanju z zunanjimi raziskovalnimiinstitucijami in v sklopu lastnih projektov smopripravili metode za vrednotenje u~inkovinrastlinskega in ìvalskega izvora, ki so po-membne za ~lovekovo zdravje. Skupaj zVeterinarsko fakulteto smo razvili nove metodeza kvantitativno vrednotenje sladkorjev v plazmiz masno spektrometrijo in s to metodo pri psihugotavljali po{kodovanost ~revesne sluznice pozauìtju nekaterih zdravil. Razvili smo analiznometodo za dolo~evanje vsebnosti CoQ10 v~love{ki plazmi in plazmi in tkivih raznih ìvali.Razvito metodo smo uporabili za vrednotenjebiorazpolo`ljivosti vodotopnega CoQ10, kakortudi za {tudij vplivov uporabe obogatenih krmilna uspe{nost hranjenja koko{i.Za vodotopno obliko koencima Q10 smo v letu2006 vloìli nacionalne patentne prijave vEvropi, ZDA, Rusiji in Izraelu. Za ta izum smoprejeli zlato priznanje Gospodarske zborniceSlovenije in sklenili licen~no pogodbo zaproizvodnjo in trènje vodotopne oblikekoencima Q10 v Sloveniji in tujini. V letu 2006

98


final products was also established.In order to prepare stable forms of fruit juicesand packing material, special test samples wereprepared and the content and changes of con-centrations of polyphenols, anthocyanins, anti-oxidant activity and vitamin C were measured.The influence of new packing materials withantioxidant properties and synergistic effectsof these new material and antioxidants addi-tives were tested. All juices with added supple-ments and stored in new antioxidant materialscored better than juices without the addition,at the beginning and after storage. Now weare looking for an agreement with food manu-facturers for industrial applications of theseobtained results.Within the cooperation with researchers fromthe Biotechnical Faculty (Department ofAgronomy, Ljubljana, Slovenia), we investigatednatural resistance of twenty-one different sortsof cabbage against selected harmful insects. Wedeveloped new chromatographic methods forthe determination of triterpenoids in cabbageepicuticular waxes. A combination of differenttechniques (TLC, HPLC-UV, LC-MS) enabled usto determine three triterpenoids (lupeol, á-amyrin and â-amyrin) in the studied waxes.In the frame of cooperation with the groupfrom the National Institute of Biology (Depart-ment of Freshwater and Terrestrial EcosystemsResearch, Ljubljana, Slovenia) we developed anew TLC method for the separation of nine mainlipid classes (hydrocarbons, wax esters, sterolesters, triacylglycerols, free fatty acids, fattyalcohols, sterols, acetone-mobile polar lipidsand phospholipids) on a single silica gel HPTLCplate. The method enabled revealing the sea-sonal trophodynamic of lipid classes of variouszooplankton species, which is a key to under-standing the energy transfer through aquaticfood webs.In the frame of the bilateral project with RMacedonia we have developed and validated achromatographic method for the determina-tion of carotenoid lutein in marigolds (Tagetesspp). Marigold can be alternative crop on to-

je bilo na tej osnovi lansiranih devet proizvodovv osmih dràvah. Licen~nim partnerjem smonudili strokovno podporo za potrebe razvojaproizvodov, vzpostavitev proizvodnje in trènje.Pripravili in ovrednotili smo nekatere funkcio-nalne prehrambene izdelke CoQ10, kot somleko, jogurt, med, {ume~e tablete, ~okoladniizdelki in sokovi. Izdelke smo kemijsko inorganolepti~no ovrednotili in jim dolo~ilistabilnost.Da bi pripravili stabilne sadne sokove in njihoveembalaè, smo v raznih sokovih in koncentratihdolo~evali vsebnost skupnih polifenolov,skupnih antocianov, vitamina C in anti-oksidativno u~inkovitost. Identificirali in dolo~ilismo vsebnost posameznih antocianinov,flavonolov in fenolnih kislin. Preizku{ali smouporabnost embalaè s posebnimi anti-oksidativnimi lastnostmi in sinergisti~nodelovanje specialne embalaè in antioksi-dativnih dodatkov. Spremembe smo ugotavljaliz merjenjem kemijskih parametrov in senzo-ri~nimi dolo~itvami. Sedaj se dogovarjamo zauporabo dobljenih ugotovitev v industrijskemmerilu.S sodelavci z Biotehni{ke fakultete (Oddelek zaagronomijo) Univerze v Ljubljani smo raziskovalinaravno odpornost 21 razli~nih sort zelja protidolo~enim {kodljivim ùèlkam. Razvili smonove kromatografske metode za dolo~anjetriterpenoidov v voskih s povr{in zeljnih listov.S kombinacijo razli~nih tehnik (TLC, HPLC-UV,LC-MS) smo dokazali prisotnost treh triterpe-noidov (lupeola, á-amirina, â-amirina) v tehvoskih.V okviru sodelovanja z raziskovalci z Nacio-nalnega in{tituta za biologijo (Oddelek zaraziskovanje sladkovodnih in kopenskihekosistemov) smo razvili novo TLC metodo zadolo~anje devetih lipidnih razredov na enisilikagelski HPTLC plo{~i. Metoda je uporabnaza raziskovanje sezonske trofodinamike lipidnihrazredov razli~nih organizmov zooplanktona,kar je osnova za razumevanje prenosa energijev prehranski verigi.V okviru bilateralnega projekta z Republiko

99


bacco fields. Its root excretions have insecticidalproperties in soil and the flowers are the rich-est known source of lutein, which has been re-cently recognized as essential micronutrient.We studied the extraction of carotenoidlycopene from tomato and tomato products inorder to optimize the preparation of a test so-lution compatible with further chromatographicquantitation. We determined the content ofpolyphenols in the extracts because of the in-fluence of polyphenols on stability of lycopene.Dietary supplements with lycopene can containsynthetic lycopene, so we tried to find differ-ences between formulations containing natu-ral or synthetic lycopene.

COLLABORATION WITH INDUSTRIAL ANDOTHER PARTNERSCooperation was going on with severalSlovenian companies (Lek d.d., Ljubljana,Slovenia; Krka d.d., Novo mesto, Slovenia;Valens int. d.o.o., Ljubljana, Slovenia; Fructal

Makedonijo smo razvili in validirali kroma-tografsko metodo za dolo~anje luteina vàmetnici (Tagetes patula L). @ametnica je lahkoalternativna kultura na toba~nih poljih, kerugodno vpliva na zemlji{~e, saj imajo izlo~kikorenin insekticidno delovanje. Cveti ̀ ametniceso najbogatej{i znani izvor luteina; v zadnjihletih pa so spoznali, da so cveti àmetniceesencialni mikronutrient.[tudirali smo ekstrakcijo karotenoida likopenaiz paradi`nika in paradi`nikovih izdelkov, kersmo ̀ eleli optimizirati pripravo testne raztopine,ki bi bila skladna s kromatografskim dolo-~anjem. Dolo~ili smo tudi vsebnost polifenolovv ekstraktih zaradi vpliva polifenolov naobstojnost likopena. Prehranski dodatki zlikopenom so lahko sintetskega izvora, zato smosku{ali najti razlike med preparati, ki vsebujejonaravni ali pa sintetski likopen.

SLIKA 1

Prozvodi, obogateni z vodotopnim CoQ10, izdelani

po patentu Kemijskega in{tituta

FIGURE1

Products enriched with water soluble Coenzyme Q10,

produced based on the patent owned by the Na-

tional Institute of Chemistry

100


d.d., Ajdov{~ina, Slovenia; Pivovarna Union d.d.,Ljubljana, Slovenia; BIA Separations d.o.o.,Ljubljana, Slovenia) and institutions (MedicalCentre Ljubljana, Slovenia; Veterinary Faculty,University of Ljubljana, Slovenia; Veterinaryclinic, Ljubljana, Slovenia; Biotechnical Faculty,University of Ljubljana, Slovenia; Institute forPublic Health Maribor, Slovenia; National Insti-tute of Biology, Ljubljana, Slovenia).

INTERNATIONAL COLLABORATION- European project: “New curriculum models

for educating food engineers “(TEMPUS-CD_JEP-40065-2005), 2006-2009.

- Bilateral project: Slovenia – Serbia andMontenegro: “Chromatographic Methods inAnalysis of Pharmacologically Active Com-pounds, Investigation of QSPR and QSAR”with the University of Belgrade, Faculty ofPharmacy (Belgrade, Serbia and Monte-

SODELOVANJE Z INDUSTRIJSKIMI INDRUGIMI PARTNERJISodelovanje je potekalo s slovenskimi podjetji:- Lek d.d., Ljubljana;

- Krka d.d., Novo mesto

- Valens Int. d.o.o., Ljubljana;

- Perutnina Ptuj;

- Fructal ìvilska industrija d.d., Ajdov{~ina;

- Pivovarna Union d.d., Ljubljana;

- BIA Separations d.o.o., Ljubljana.

In z institucijami:- Klini~ni center, Ljubljana;

- Veterinarska fakulteta, Univerza v Ljubljani;

- Veterinarska klinika, Ljubljana;

- Zavod za zdravstveno varstvo Maribor;

- Biotehni{ka fakulteta, Univerza v Ljubljani;

SLIKA 2

Pilotne raziskave postopka za proizvodnjo vodo-

topnega koencima Q10 po patentu Kemijskega

in{tituta

FIGURE 2

Pilot research process for production of water solu-

ble Coenzyme Q10, based on the patent owned by

the National Institute of Chemistry

101


negro); principal researchers: I. Vovk and D.Agbaba.

- Bilateral project: Slovenia – Macedonia: “In-troduction of New Crops with BiologicallyActive Compounds Interesting for the Foodand Pharmaceutical Industry” with the Uni-versity of St. Kliment Ohridski (Bitola), To-bacco Institute (Prilep); principal researchers:B. Simonovska and K. Filiposki.

MAJOR EQUIPMENTThe laboratory for food chemistry is equippedwith HPLC systems with different types of de-tectors, also with MS detector LCQ fromFinnigan; GC systems with different type of in-jectors (also Head Space injector); completesystem for TLC with densitometer, imageanalyzing system, and automatic applicators;two systems for capillary electrophoresis.

- In{titut za varovanje zdravja, Ljubljana;

- Nacionalni in{titut za biologijo, Ljubljana itd.

MEDNARODNO SODELOVANJE

- Evropski projekt: ”Novi kurikularni modeli zaizobraèvanje prehrambenih tehnologov”(TEMPUS-CD_JEP-40065-2005), 2006-2009.

- Bilateralni projekt Slovenija-Srbija in ̂ rna goraz University of Belgrade, Faculty of Pharmacy(Beograd): »Kromatografske metode v analizifarmakolo{ko aktivnih substanc, prou~evanjekorelacije strukture teh substanc s fizikalnokemijskimi lastnostmi (QSPR) ter z njihovobiolo{ko aktivnostjo (QSAR)«, nosilki: I. Vovkin D. Agbaba.

- Bilateralni projekt Slovenija-Makedonija zUniversity of St. Kliment Ohridski (Bitola), To-bacco Institute (Prilep): »Uvajanje novihrastlinskih kultur z biolo{ko aktivnimikomponentami, zanimivimi za prehrambeno

SLIKA 3

HPLC-MS sistemi v Laboratoriju za prehrambeno

kemijo

FIGURE 3

HPLC-MS systems, located in Laboratory for Food

Chemistry

102


in farmacevtsko industrijo«, nosilca: B.Simonovska in K. Filiposki.

POMEMBNI IN[TRUMENTI IN OPREMARaziskovalci v L06 imajo na razpolago sodobnoanalizno opremo. Laboratorij je opremljen:- s HPLC sistemi z raznimi detektorji, med njimi

je tudi HPLC-MS sistem Finnigan LCQ;

- z GC sistemi opremljenimi z razli~nimi tipiinjektorjev (med njimi tudi s head-spaceinjektor do 210 0C) in detektorjev;

- s prenosnimi GC sistemi, ki so opremljenitako, da omogo~ajo analizo plinov inogljikovodikov na terenu;

- s kompletno TLC opremo, z avtomatskiminana{alci, denzitometrom in sistemom zavideo dokumentacijo.

IZOBRA@EVANJE IN OBISKI / GOSTOVANJAV letu 2006 so tri {tudentke s Fakultete zakemijo in kemijsko tehnologijo, Univerza vLjubljani, opravile prakti~ni del diplome in tudidiplomirale.Gostovanja tujih raziskovalcev: dr. MarijaSrbinoska, University of St. Kliment Ohridski,Bitola in Tobacco Institute, Prilep, Makedonija.

EDUCATION AND IMPORTANT VISITSThree students from the Faculty of Chemistryand Chemical Technology, University ofLjubljana, Slovenia, finished their practical workin our laboratory and took diplomas.Research visits:- Dr. Marija Srbinoska, University of St. Kliment

Ohridski, Bitola and Tobacco Institute, Prilep,Macedonia.

103

Laboratorij za polimerno kemijo in tehnologijoLaboratory for Polymer Chemistry and Technology

L07Laboratorij za polimernokemijo in tehnologijo

Laboratory for PolymerChemistry and Technology

VODJA / HEADIzr. prof. dr. Majda @igon

RAZISKOVALCI / RESEARCHERSDr. Alojz An`lovarDr. Miroslav Huski}Mag. Edita JasiukaityteDr. Andrej KrànDoc. dr. Matja` KunaverDr. Ida Mav Gole`Dr. Ema @agar

MLADI RAZISKOVALCI /YOUNG RESEARCHERSBla` BrulcMaja Gri~arTina [migovec (od / since 1. 11. 2006)

TEHNI^NO OSEBJE / TECHNICAL STAFFMiran Lavri~Polona ProsenMeta Skumavc (od / since 4. 9. 2006)Mirjana [irca

104


PODRO^JA DEJAVNOSTIRaziskave so potekale v okviru raziskovalnegaprograma P2-0145-0104 (Polimeri s posebnimilastnostmi), enega temeljnega in podoktor-skega ter {tirih aplikativnih projektov, evropskemreè odli~nosti, bilateralnih projektov inprojektov za naro~nike.Podro~ja dejavnosti L07 so:- biorazgradljivi polimeri,

- visoko razvejeni polimeri,

- polimeri iz obnovljivih surovin,

- prevodni polimeri in prevodne kompozitnepolimerne membrane iz temperaturnoobstojnih polimerov s polarnimi nosilcinaboja,

- nanodelci, polimerni nanokompoziti,

- samo~istilni fotokatalitski premazi,

- premazni sistemi z nizko vrednostjo HOS,

- recikliranje sinteti~nih polimerov,

- lastnosti polimerov in polimernih materialov,

- razvojne raziskave in storitve, predvsem napodro~ju veziv, termoplastov in recikliranja,

- analiza in karakterizacija komercialnihpolimerov s spektroskopskimi (FTIR, NMR),kromatografskimi (GC, GC-MS, IGC, SEC,SEC-MALS) in termi~nimi (DSC) metodami zanaro~nike.

RESEARCH ACTIVITIESResearch was conducted in the frame of theresearch Programme P2-0145-0104 (SpecialtyPolymers), one basic and four applied projects,two European projects (5.FP), European Net-work of Excellence (6.FP), five bilateral researchprojects, and projects with industrial partners.The research activities of L07 are:- Biodegradable polymers

- Hyperbranched polymers

- Polymers from renewable resources

- Conductive polymers based on substitutedpolyanilines and composite polymer mem-branes made of thermally resistant polymerswith polar charge carriers

- Nanoparticles, polymer-based nanocom-posites

- Self-cleaning photocatalytic coatings

- Coating systems with low VOC content plas-tics

- Recycling of synthetic polymers

- Properties of polymers and polymeric mate-rials

- Applied and development research, especiallyfor industry of binders, thermoplastics, andrecycling

105


BIBLIOGRAFIJA11 izvirnih znanstvenih ~lankov1 pregledni znanstveni ~lanek2 strokovna ~lanka1 drugo u~no gradivo1 objavljeni znanstveni prispevek na

konferenci (vabljeno predavanje)8 objavljenih znanstvenih prispevkov na

konferencah1 objavljeni strokovni prispevek na


prispevkov na konferencah2 patentni prijavi3 patenti1 prispevek na konferenci brez natisa1 vabljeno predavanje na konferenci brez

natisa1 elaborat, pred{tudija, {tudija3 diplome5 uredni{tev revij

GLAVNI DOSE@KI V LETU 2006- Biorazgradljivim amfifilnim kopolimerom iz

asparaginske kisline in laktida, poli(sukci-nimid-ko-laktid)om (PLS) smo dolo~iliabsolutna povpre~ja molskih mas in drugivirialni koeficient s stati~nimi meritvamisipanja svetlobe (SLS).

- Na podro~ju polimerov iz obnovljivih surovinsmo optimizirali postopek uteko~injanja lesaz uporabo koncentrirane ̀ veplove (VI) kislinekot katalizatorja in dosegli ve~ kot 95 %izkoristek, kraj{i ~as in ni`jo temperaturouteko~injanja. Uporabo uteko~injenega lesakot surovino za sintezo polimerov smopredstavili na prireditvi Hevreka 2006, naMesecu oblikovanja »Sit in the Sitty« pa smopredstavili prve vzor~ne izdelke – stole izpoliuretanske pene.

- V kombinaciji z melaminskimi smolami smouteko~injeni les uporabili kot vezivo zaizdelavo vezanih in ivernih plo{~, katerihmehanske lastnosti so enakovredne tistim skomercialnim vezivom, prednost pa je tudini`ja temperatura utrjevanja in s tem

- Analysis and characterization of commercialpolymers by spectroscopic (FTIR, NMR), chro-matographic (GC, GC-MS, IGC, SEC, SEC-MALS) and thermal techniques (DSC)

BIBLIOGRAPHY11 Original Scientific Articles1 Review Article2 Professional Articles1 Other Educational Material1 Published Scientific Conference Contribu-

tion (Invited Lecture)8 Published Scientific Conference Contribu-


Contribution23 Published Scientific Conference Contribu-

tion Abstracts2 Patent Applications3 Patents1 Unpublished Conference Contribution1 Unpublished Invited Conference Lecture1 Treatise, Preliminary Study, Study3 Undergraduate Theses5 Journal Editorships

IMPORTANT ACHIEVEMENTS IN 2006- Absolute molar masses and the second virial

coefficients of biodegradable amphiphiliccopolymers made from aspartic acid andlactide, poly(succinimide-colactide)s, PSL,determined by static light scattering meas-urements.

- Nanofiller montmorillonite (MMT) modifiedby quaternary polyesters based on analiphatic acid and alkyldiethanolamine, in-tended for the preparation of polymericnanocomposites.

- ZnO and Cu2O with particle sizes between

100 and 500 nm synthesized by the polyolprocedure in di(ethylene glycol), tetra-(ethylene glycol) and propylene glycol. Par-ticles of the smallest sizes (100 nm) were ob-tained at the precursor concentration of 0.1mol/L. In di(ethylene glycol) 100 – 200 nm

106


prihranek na energiji. Potekajo tudi prelimi-narne raziskave o uporabi uteko~injenega lesakot alternativnega goriva.

- Nanopolnilo montmorilonit (MMT) smomodificirali s kvarterniziranimi poliestri naosnovi alifatske kisline in alkildietanolamina.V nadaljevanju bomo modificirane MMTuporabili za pripravo polimernih nanok-ompozitov.

- Nanodelce ZnO in Cu2O velikosti 100–500 nm

smo sintetizirali po poliolnem postopku vdietilenglikolu, tetraetilenglikolu in 1,2-propandiolu. Najmanj{i delci (100 nm) sonastali pri koncentraciji prekurzorja 0,1 mol/L. Nanoì~ke Cu

2O smo sintetiziral v dietilen-

glikolu.

- Z dvema vzorcema laboratorijsko sinte-tiziranega ZnO (100 nm in 300 nm) inkomercialnim vzorcem ZnO (400–600 nm)smo pripravili nanokompozite iz polime-tilmetakrilata (PMMA) po postopku polime-rizacije v masi. Laboratorijsko sintetiziranidelci ZnO so brez modifikacije povr{ine delcevzelo homogeno porazdeljeni po polimernimatrici, medtem ko so delci komercialnegaZnO zdruèni v skupke. To potrjuje, da imajoostanki diola na povr{ini delcev funkcijoorganofilnih modifikatorjev. U~inki UVabsorbcije in termi~ne stabilizacije so zeloodvisni od velikosti delcev: nanokompoziti zZnO delci velikosti pod 100 nm imajo vi{joUV absorbcijo in so termi~no stabilnej{i.

- Nanokompozite iz polimetilmetakrilata(PMMA) in komercialnih vzorcev modifi-ciranega MMT (Nanofil, Süd Chemie) smopripravili z interkalacijo v raztopini topil zrazli~no polarnostjo. Z znièvanjem polarnostitopila se je v odvisnosti od uporabljenegamodifikatorja MMT pove~evala interkalacijapolimera med plasti MMT.

- Iz poliamida 12 (PA12) in molibden-`veplo-jod (MoSI) nanoì~k s koncentracijo 0,1 %,0,3 % in 0,5 % smo pripravili nanokompozitepo postopku interkalacije iz taline. Primerjavamehanskih in tribolo{kih lastnosti nano-

long and 10 – 50 nm thick Cu2O nanowires

were synthesized.

- Two samples of ZnO (100 nm and 300 nm)synthesized in our laboratory and a commer-cial sample (400 – 600 nm) were used in thepreparation of PMMA/ZnO nanocompositesby bulk polymerization. ZnO samples synthe-sized by the polyol procedure are, withoutany surface modification, homogeneouslydispersed through the PMMA matrix whileparticles of commercial ZnO remain agglom-erated. This confirms that polyol residues ab-sorbed at the surface function as organofillicmodifiers. Effects of the UV absorption as wellas thermal stabilization are strongly depend-ent on the particle size: nanocomposites with100 nm ZnO nanoparticles show higher UVabsorption and better thermal stabilizationcompared to samples with 300 nm ZnO.

- Nanocomposites of poly(methyl methacr-ylate), PMMA, and commercial modifiedMMT (Nanofil, Süd Chemie) were preparedby intercalation in solution using solvents ofdifferent polarities. It was found that thelower the polarity of the solvent, the betterthe intercalation, however, it depended alsoon the type of modifier.

- Work was continued on the applied projectof recycled PET use in the production of res-ins and coatings. A pilot synthesis (20 kg) ofa modified unsaturated polyester resin wasdone by our industrial partner. The resin gavegood test results. We continued with thedevelopment of low profile additives on thebasisi of PET.

- In cooperation with the Laboratory for mo-lecular modeling and NMR spectroscopy atNIC we developed a new model for themechanism of microwave heating based onnon-equilibrium rotational excitation of rea-gents. The model was applied in a series ofsimulations that gave results in agreementwith experimental examinations of micro-wave catalysis.

- Nanocomposites were prepared in melt frompolyamide 12 (PA12) and molybdenum-sul-

107


kompozitov in PA12 ni pokazala bistvenihrazlik.

- Zaradi izjemno mo~ne fotokataliti~neaktivnosti titanovega dioksida za razpadumazanije na povr{inah premazov ostanejole-ti dalj ~asa ~isti in ohranijo osnovno barvnonianso. V ta namen smo pripravili nanodelcetitanovega dioksida s postopkom precipi-tacije. V pripravi je laboratorijski UV reaktor,s katerim bomo lahko primerjali u~inkovitostposameznih formulacij.

- Nadaljevali smo z raziskavami morfologijepigmentiranih premazov, kjer smo z uporaboslikovne analize SEM posnetkov matiranihpremaznih povr{in po selektivnem jedkanjus kisikovo plazmo ugotavljali u~inkovitostposameznih matirnih sredstev v pra{kastihpremazih.

- Ugotavljali smo vpliv posameznih pigmentnihme{anic na obstojnost barvne nianse pripremazih, ki jih uporabljamo za izdelavonacionalnih simbolov. Na osnovi pospe{enegastaranja premazov in UV obsevanja smopripravili predloge nekaterih pigmentnihme{anic, ki so primerne za izdelavo nacio-nalnih simbolov.

- Nadaljevali smo raziskave komercialnodosegljivih visoko razvejenih poliestrov

phur-iodine (MoSI) nanowires concentrationof 0.1 %, 0.3 % and 0.5 %. Mechanical andtribological properties of the preparednanocomposites were comparable to thoseof pure PA12.

- Due to the extremely strong photocatalyticactivity of titanium dioxide causing the deg-radation of dirt on coating surfaces, theseremain clean and retain their original colour.To explore this phenomenon we preparednanoparticles of titanium dioxide by the pre-cipitation technique. A laboratory UV reac-tor that will allow the comparison of differ-ent formulations is in preparation.

- Studies of the morphology of pigmentedcoatings were continued. Image analysis ofSEM micrographs of matt coating surfacesafter selective etching with oxygen plasmaallowed the determination of the efficiencyof different matting agents in dust coatings.

- We determined the effect of different pig-ment mixtures on the durability of colour incoatings used in the production of nationalsymbols. Based on accelerated ageing andUV exposure we prepared suggestions of pig-ment mixtures suitable for national symbols.

- The microstructure and sequence distributionof bacterial poly(3-hydroxybutyrate-co-3-

SLIKA 1:

Uteko~injeni les

FIGURE 1:

Liquified wood

108


Boltorn treh psevdogeneracij z razli~nimteoretskim razmerjem jedro/monomer in jihopredelili glede na molsko maso, sestavo instrukturo. Zaradi samokondenzacije mono-mera kot glavne stranske reakcije pri sinteziBoltorn polimerov nastajajo visoko razvejenestrukture brez jedra, ki mo~no zniàjo{tevil~na povpre~ja molskih mas v primerjavis teoreti~nimi vrednostmi.

- Mikrostrukturo in porazdelitev sekvenc vbakterijskih poli(3-hidroksibutirat-ko-3-hidroksivalerat) (PHBV) kopoliestrih smoopredelili s 13C NMR spektrometrijo z analizodiad in triad in z ve~stopenjsko masnospektrometrijo z elektrorazpr{ilno ionizacijo(ESI-MSn) ter dobili primerljive rezultate.

- Nadaljevali smo z delom na aplikativnemprojektu uporabe recikliranega polietilen-tereftalata v proizvodnji premazov in plo{~.Opravljena je bila pilotna sinteza (20 kg)modificirane nenasi~ene poliestrske smole priindustrijskem partnerju, ki je uspe{no prestalatestiranja. Nadaljevali smo z razvijanjemdodatkov smolam, ki prepre~ujejo skr~ke.

- V sodelovanju z Laboratorijem za moleku-larno modeliranje in NMR spektroskopijo naKemijskem in{titutu smo razvili nov modelmehanizma mikrovalovnega segrevanja, kitemelji na neravnote`nem rotacijskemvzbujanju reaktantov. Model je bil uporabljenv seriji simulacij, katerih rezultati so bili skladniz eksperimentalnimi rezultati mikrovalovnekatalize.

SODELOVANJE Z INDUSTRIJSKIMI INDRUGIMI PARTNERJI- Razvojni in{titut, Savatech, Kranj: sodelovanje

pri raziskovalnem programu in projektu terrazvojno investicijskem projektu (Evropskisklad za regionalni razvoj – ESRR) na podro~juelastomernih nanokompozitov.

- Julon d.d., Ljubljana, sodelovanje pri razvojnoinvesticijskem projektu (Evropski sklad zaregionalni razvoj – ESRR) »MTX – inovativnovlakno prihodnosti«.

hydroxyvalerate) copolyesters (PHBV) wasstudied by 13C NMR based on dyad and triadanalysis and multistage electrospray ioniza-tion mass spectrometry (ESI-MSn). Both tech-niques gave results that were in good agree-ment for all investigated samples.

- Commercially available Boltorn hyper-branched (HB) polyesters of different theo-retical core/monomer ratio were character-ized with respect to molar mass, composi-tion, and structure. Due to monomer self-condensation as the main side reaction in thesynthesis of Boltorn polymers HB structureswithout a core molecule are formed. Sincethey are of lower molar masses than HB struc-tures with a core molecule, they particularlydecrease the number average of molar massesas compared to the theoretically ones.

COLLABORATION WITH INDUSTRIAL ANDOTHER PARTNERS- Research & Technology Institute, Savatech,

Kranj, Slovenia: Elastomer-based nanocom-posites (research program and project, de-velopment & industrial project, Europeanfunds for regional development).

- Julon d.d., Ljubljana, Slovenia: MTX – inno-vative fibre for the future, development &industrial project, European funds for regionaldevelopment.

- Lek, pharmaceuticals d.d., Ljubljana, Slovenia:research & development project.

- Color d.d., Medvode, Slovenia: The use ofwaste polymeric materials (applied project).

- KLI Logatec, Slovenia and Biotechnical Fac-ulty, University of Ljubljana, Slovenia: Bind-ers and novel coatings systems with low con-tent of VOC for wood industry (appliedproject).

- Termo d.d., [kofja Loka, Slovenia: research &industrial project.

- Company in the field of coatings, USA: R&Dcooperation.

- Kolpa d.d., Metlika, Slovenia, R&D coopera-tion

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- Lek farmacevtska dru`ba d.d., Ljubljana,raziskovalno razvojno sodelovanje.

- Color d.d., Medvode: sodelovanje priaplikativnem projektu na podro~ju uporabeodpadnih polimernih materialov.

- KLI Logatec in Biotehni{ka fakulteta Univerzev Ljubljani: sodelovanje pri aplikativnemprojektu na podro~ju sinteze veziv in razvojanovih premaznih sistemov z nizko vrednostjoHOS za lesno industrijo.

- Termo d.d., [kofja Loka: industrijski projektna podro~ju izolacijskih materialov.

- Podjetje s podro~ja premazov, ZDA: razisko-valno-razvojno sodelovanje.

- Kolpa d.d., Metlika: raziskovalno - razvojnosodelovanje

- Fakulteta za strojni{tvo, Univerza v Ljubljaniin Institut Joèf Stefan, Ljubljana: raziskovalniprojekt na podro~ju polimernih nano-kompozitov.

- Institut Joèf Stefan, Ljubljana: aplikativniprojekt na podro~ju uporabe visoko reaktivneplazme.

- Tehnolo{ka platforma Napredni materiali intehnologije.

- Za razli~ne partnerje iz industrije (Julon d.d.,Ljubljana; Kolektor d.o.o., Idrija; Proizvodnjakemi~nih izdelkov TKK Srpenica d.d., Srpeni-ca; Tekstilna tovarna Okroglica d.d., Vol~jaDraga; Lek d.d., Ljubljana; Saturnus d.d.,Ljubljana itd.) analiziramo polimerne in drugemateriale ter re{ujemo strokovne probleme.

MEDNARODNO SODELOVANJE- Sodelovanje pri projektu 6. OP EU, 2006–

2009, Nanoscale functionalities for targeteddelivery of biopharmaceutics, Nanobio-pharmaceutics.

- Mreà odli~nosti, 6. OP EU, 2004–2008:Nanostructured and functional polymer-based materials and nanocomposites,Nanofun-poly.

- Bilateralni projekti:

- Faculty of Mechanical Engineering, Univer-sity of Ljubljana, Slovenia and Joèf StefanInstitute, Ljubljana, Slovenia: Polymer-basedNanocomposites (research project).

- Joèf Stefan Institute, Ljubljana, Slovenia:Highly Reactive Plasma (applied project).

- Technological platform Advanced Materialsand Technologies.

- Analysis of polymeric materials and techni-cal problem solutions for our industrial part-ners (Julon d.d., Ljubljana; Kolektor d.o.o.,Idrija; Proizvodnja kemi~nih izdelkov TKKSrpenica d.d., Srpenica; Tekstilna tovarnaOkroglica d.d., Vol~ja Draga; Lek d.d.,Ljubljana; Saturnus d.d., Ljubljana – allSlovenia etc.)

INERNATIONAL COLLABORATION- Participation in the 6 EC framework program

Integrated Project 2006-2009: NanoscaleFunctionalities for Targeted Delivery ofBiopharmaceutics - Nanobiopharmaceutics

- Network of Excellence, 6.OP EU, 2004-2008:Nanostructured and Functional Polymer-based Materials and Nanocomposites,NANOFUN-POLY.

Bilateral projects:- Croatia, 2005–2006 (Faculty of Chemical

Engineering and Technology, University ofZagreb): The Preparation of PolymericNanocomposite Using Layered Silicates Modi-fied by Polyions.

- Czech Republic, 2005–2006 (Faculty of Sci-ence, Charles University, Prague): Conjugatedpolymers with main-chain heteroatoms: Syn-thesis and properties of semiconducting andconducting polymer blends and composites.

MAJOR EQUIPMENT- Differential scanning calorimeter Pyris 1,

Perkin Elmer

- FTIR spectrometer Spectrum One, PerkinElmer

110


- Hrva{ka (2005–2006), Fakultet kemijskoginìnjerstva i tehnologije, Sveu~ili{te uZagrebu: Polimerni nanokompozitni materialina osnovi montmorilonita.

- ê{ka (2005–2006), Department of Physicaland Macromolecular Chemistry, Faculty ofScience, Charles University, Praga: Conju-gated polymers with main-chain hetero-atoms: Synthesis and properties of semicon-ducting and conducting polymer blends andcomposites.

POMEMBNI IN[TRUMENTI IN OPREMA- diferen~ni dinami~ni kalorimeter Pyris 1,

Perkin Elmer,

- FTIR spektrometer Spectrum One, PerkinElmer,

- plinski kromatograf GC 8700, Perkin Elmer,

- souporaba plinskega kromatografa HewlettPackard Agilent 6890N z masno selektivnimdetektorjem 5973N,

- teko~inski kromatograf z UV, RI (Perkin Elmer,Hewlett Packard) in ELS 2100 (Polymer Labo-ratories) detektorji za meritve SEC indvodimenzionalne kromatografije,

- teko~inski kromatograf z detektorjem nasipanje svetlobe (Hewlett Packard, Wyatt

- Gas chromatograph GC 8700, Perkin Elmer

- Joint use of a gas chromatograph HewlettPackard Agilent 6890N with a mass selec-tive detector 5973N

- Liquid chromatograph with UV, RI (PerkinElmer, Hewlett Packard), and ELS 2100 de-tectors (Polymer Laboratories) for SEC meas-urements and for two-dimensional chroma-tography

- Liquid chromatograph with a multi-anglelight scattering photometer Dawn DSP(Hewlett Packard, Wyatt Technology Corpo-ration) for SEC-MALS measurements

- Joint use of a microwave oven Milestone MLS1200 Mega

- Joint use of the large Institute’s equipment(NMR, XRD, LC-MS, SEM)

- Twin screw extruder Teach-Line ZK 25T withwater bath and strand pelletizer, Dr. Collin

- Injection moulding machine Babyplast,Rambaldi+Co

EDUCATION AND IMPORTANT VISITSMentorship- Tanja Breskvar: B.S. thesis (VS[): Synthesis of

Low Profile Additive for Unsaturated Polyes-

SLIKA 2:

Poliuretanska pena iz uteko~injenega lesa

FIGURE 2:

Polyurethane foam made from liquified wood

111


Technology Corporation) za meritve SEC-MALS,

- souporaba mikrovalovne pe~ice MilestoneMLS 1200 Mega,

- souporaba velike in{titutske opreme (NMR,SEM , XRD, LC-MS),

- dvopol`ni laboratorijski ekstruder Teach-LineZK 25T z vodno kopeljo in granulatorjem, Dr.Collin,

- stroj za injekcijsko vbrizgavanje Babyplast,Rambaldi+Co.

IZOBRA@EVANJE IN OBISKI / GOSTOVANJAMentorstva, komentorstva:- Tanja Breskvar: diplomsko delo (VS[): Priprava

aditiva za nenasi~ene poliestre iz recikliranega

polietilentereftalata, Fakulteta za kemijo inkemijsko tehnologijo, Univerza v Ljubljani.

- Peter Trnov{ek: diplomsko delo (VS[):Uteko~injen les kot surovina za izdelavo

poliuretanskih pen, Biotehni{ka fakulteta,Univerza v Ljubljani.

- Irena Truden: diplomsko delo (VS[): Priprava

nanokompozitov PMMA/MMT z enosto-

penjsko in situ polimerizacijo, Fakulteta zakemijo in kemijsko tehnologijo, Univerza vLjubljani.

Obiski:V okviru bilateralnega sodelovanja so L07obiskali (tedenski obiski): prof. dr. Jirí Vohlídal,Charles University, Praga, ê{ka, in mag. IvanBrnardi}, Univerza v Zagrebu, Hrva{ka.Organizirali smo sestanek izvr{nega svetaEvropske polimerne federacije.

Uporaba obnovljivih virov za proizvodnjomaterialovUporaba obnovljivih virov za proizvodnjomaterialov obljublja nove trajnostne in do okoljaprijazne materiale. Ta tematika je tudi delraziskovalnih aktivnosti Laboratorija za poli-merno kemijo in tehnologijo s posebnimpoudarkom na uporabi lesa. Les je eden najboljraz{irjenih obnovljivih virov in je kljub kompleksni

ters from Recycled Poyethylene Terephtalate,Faculty of Chemistry and Chemical Technol-ogy, University of Ljubljana, Slovenia.

- Peter Trnov{ek: B.S. thesis (VS[) PolyurethaneFoams from Liquefied Wood, BiotechnicalFaculty, University of Ljubljana, Slovenia.

- Irena Truden: B.S. thesis (VS[): Synthesis ofPMMA/MMT Nanocomposites by One Stepin-situ Polymerization, Faculty of Chemistryand Chemical Technology, University ofLjubljana, Slovenia.

VisitsVisitors in the frame of bilateral collaboration:Prof. Dr. Jirí Vohlídal, Charles University, Prague,Czech Republic; Ivan Brnardi}, M.S., Universityof Zagreb, Croatia.We organized a General Assembly meeting ofthe European polymer federation.

The use of renewable resources for poly-meric materials productionThe use of renewable resources for materialsproduction is expected to yield new sustain-able and environmentally friendly materials. Thistopic is also part of the research activities ofthe Laboratory for Polymer Science and Tech-nology with a particular focus on the use ofwood. Wood is one of the most abundantnatural materials, and despite its complex com-position it is interesting as a potential renew-able feedstock for polymer production. One ofthe possible routes for achieving this is throughliquefaction, where wood is reacted withmultifunctional alcohols to yield low molecu-lar mass, liquid products that can be used forpolymer synthesis.In our research native hardwoods were lique-fied with different glycols and an acidic cata-lyst. The liquefaction took place at 150 – 180°C for 0.5 - 3 h during which more than 95%of the wood was liquefied (Figure 1). Analysisof the products revealed the formation of oli-gomeric degradation products from wood com-ponents.

112


In the next phase liquefied wood was used asthe basis for synthesis of unsaturated and satu-rated polyesters. Unsaturated polyesters wereprepared by reacting liquid wood with maleicand phthalic acids. Resins diluted by styreneshowed satisfactory reactivity and contained upto 25 % wood in dry matter. Using adipic acidwe prepared polyester polyols with hydroxylnumbers in the range 150 – 500. These werereacted with isocyanates to give a series of poly-urethane foams that were comparable withcommercial foams and could be used in agri-culture and horticulture (Figure 2).

sestavi interesanten kot obnovljiva surovina zaproizvodnjo polimerov. Ena od mo`nih uporabje preko uteko~injanja kjer les reagira zmultifunkcionalnimi alkoholi do teko~ihproduktov nizkih molskih mas, ki jih lahkouporabimo za sintezo polimerov.V na{ih raziskavah smo uteko~inili doma~e vrstelesa listavcev z razli~nimi glikoli in kislinskimkatalizatorjem. Uteko~injanje je potekalo 0.5 –3 ure pri 150 – 180oC, pri ~emer se je uteko~inilove~ kot 95 % za~etnega lesa (Slika 1). Analizaproduktov je potrdila tvorbo oligomernihdegradacijskih produktov iz lesnih komponent.V naslednjem koraku smo uteko~injen lesuporabili kot osnovo za sintezo nasi~enih innenasi~enih poliestrov. Nenasi~ene poliestresmo pripravili z reakcijo uteko~injenega lesa zmaleinsko in ftalno kislino. Smole razred~ene sstirenom so imele zadovoljivo reaktivnost in sovsebovale do 25 % lesa (v suhi snovi). Z uporaboadipinske kisline smo pripravili poliestrskepoliole s hidroksilnimi {tevili med 150 in 500. Vreakciji z izocianati so dali serijo poliuretanskihpen, ki imajo lastnosti primerljive s komer-cialnimi penami in bi bile lahko uporabljene vkmetijstvu in hortikulturi.

113

Laboratorij za organsko sintezo in kemijo zdravilLaboratory for Organic and Medicinal Chemistry

L08Laboratorij za organsko sintezoin kemijo zdravil

Laboratory for Organic andMedicinal Chemistry

VODJA / HEADDr. Barbara Mohar

RAZISKOVALCI / RESEARCHERSDr. Joè KobeDr. Michel Stephan (polovi~ni ~as / part time)

MLADI RAZISKOVALEC /YOUNG RESEARCHERDamjan [terkBorut Zupan~i~

PRIPRAVNIK / TRAINEEJure Kokalj (do / until 31. 7. 2006)

114


PODRO^JA DEJAVNOSTI- Razvoj novih metodologij v asimetri~ni sinte-

zi in katalizi,

- sinteza kiralnih spojin s potencialno biolo{koaktivnostjo,

- razvoj novih sintetskih poti za industrijskozanimive spojine.

BIBLIOGRAFIJA3 izvirni znanstveni ~lanki3 patentne prijave2 patenta1 uredni{tvo revije

GLAVNI DOSE@KI V LETU 2006- Asimetri~no transfer hidrogeniranje fluoro-

alkil ketonov v visokih enantiomernihprese`kih in visokimi izkoristki s kiralnimiamin-sulfamoilamidnimi Ru-katalizatorji raz-vitimi v na{em laboratoriju.

- Razvoj asimetri~nega transfer hidrogeniran-ja p-fluoroacetofenonskih intermediatov zafarmacevtsko u~inkovino z anti-holesteroln-im delovanjem.

RESEARCH ACTIVITIES- Development of new methodologies in asym-

metric synthesis and catalysis.

- Synthesis of chiral compounds with poten-tial biological activity.

- Finding new synthetic routes for industriallyinteresting compounds.

BIBLIOGRAPHY3 Original Scientific Articles3 Patent Applications2 Patents1 Journal Editorship

IMPORTANT ACHIEVEMENTS IN 2006- Asymmetric transfer hydrogenation of fluor-

oalkyl ketones in high enantiomeric excesseswith our laboratory developed chiral amine-sulfamoylamide Ru-catalysts.

- Development of asymmetric transfer hydro-genation of p-fluoroacetophenone interme-diates for a pharmaceutical ingredient withanti-holesterolemic action.

- Preparation of new chiral phosphane ligands

115


- Priprava novih kiralnih fosfanskih ligandov innjihovih Rh-kompleksov, ki so pokazali visokoenantioselektivnost in aktivnost pri asime-tri~nem hidrogeniranju funkcionaliziranihC=C vezi.

SODELOVANJE Z INDUSTRIJSKIMI INDRUGIMI PARTNERJI- Krka, tovarna zdravil d.d., Novo mesto; Raz-

voj neodvisnih postopkov do farmacevtskihintermediatov.

- Lek farmacevtska dru`ba d.d., Ljubljana; Sin-teza potencialnih farmacevtskih u~inkovin.

- PhosPhoenix SARL, Pariz, Francija; Razvojnovih industrijskih procesov na osnovi homo-gene katalize.

MEDNARODNO SODELOVANJE- Slovensko-francoski bilateralni projekt PRO-

TEUS, 2004–2006 (Univerza Louis Pasteur,

and their Rh-complexes which showed highenantioselectivity and activity in asymmetrichydrogenation of functionalized C=C bonds.

COLLABORATION WITH INDUSTRIAL ANDOTHER PARTNERS- Krka Pharmaceuticals, d.d., Novo mesto, Slov-

enia: Development of new synthetic routesto selected pharmaceutical intermediates.

- Lek Pharmaceuticals, d.d., Ljubljana, Slove-nia: Synthesis of potential pharmaceuticalcompounds.

- PhosPhoenix SARL, Paris, France: Develop-ment of industrial processes based on ho-mogeneous catalysis.

INTERNATIONAL COLLABORATION- Slovenian-French bilateral project PROTEUS,

2004-2005 (University of Louis Pasteur, Stras-bourg, France): New Supported Catalysts forAsymmetric Transfer Hydrogenation.

SLIKA 1:

Destilacija brezvodnih topil

FIGURE 1:

Distillation of dry solvents

116


Strasbourg, Francija): Novi katalizatorji zaasimetri~no transfer hidrogeniranje vezani nanaosilec.

POMEMBNI IN[TRUMENTI IN OPREMA- HPLC in GC sistemi opremljeni s kiralnimi

kolonami,

- polarimeter,

- ultra kriomat (-100 do +100 °C),

- sistem za hidrogeniranje (do 100 atm H2).

MAJOR EQUIPMENT- HPLC and GC systems equipped with chiral

columns

- Polarimeter

- Ultra kryomat (-100 to +100 °C)

- System for hydrogenation (up to 100 atm H2)

SHEMA 1

Splo{en na~in poteka asimetri~nega transfer

hidrogeniranja fluoroalkil ketonov kataliziranega z

¢Ru(h6-aren)((S,S)-R2NSO

2DPEN)¥

SCHEME 1

General sense of asymmetric transfer hydrogenation

of fluoroalkyl ketones catalysed by ¢Ru(h6-arene)((S,S)-

R2NSO

2DPEN)¥

117

Laboratorij za anorgansko kemijo in tehnologijoLaboratory for Inorganic Chemistry and Technology

L09Laboratorij za anorgansko kemijoin tehnologijo

Laboratory for Inorganic Chemistryand Technology

VODJA / HEADProf. dr. Ven~eslav Kau~i~

RAZISKOVALCI / RESEARCHERSdr. Roman Gabrov{ekdoc. dr. Nata{a Zabukovec Logardoc. dr. Nata{a Novak Tu{ardr. Gregor Malidr. Alenka Risti}dr. Maja Mrak (do / until 16.6.2006)

MLADI RAZISKOVALCI /YOUNG RESEARCHERSSa{a CecowskiMatja` Mazaj

TEHNI^NO OSEBJE / TECHNICAL STAFFOlga Gor{eEdi KranjcMojca Opresnik

118

Laboratorij za anorgansko kemijo in tehnologijoLaboratory for Inorganic Chenistry and Technology

PODRO^JA DEJAVNOSTIRaziskave poroznih materialov:- zeolitni materiali,

- mezoporozni materiali,

- cement.

Strukturna analiza materialov:- rentgenska difrakcija,

- spektroskopija z jedrsko magnetno resonanco

- rentgenska absorpcijska spektroskopija.

http://www.ki.si/index.php?id=l-09

BIBLIOGRAFIJA12 izvirnih znanstvenih ~lankov1 pregledni znanstveni ~lanek2 strokovna ~lanka9 objavljenih povzetkov znanstvenih

prispevkov na konferencah1 objavljeni povzetek strokovnega

prispevka na konferenci3 predavanja na tujih univerzah3 uredni{tva revij

GLAVNI DOSE@KI V LETU 2006Raziskave poroznih materialov:S prehodnimi kovinami modificiranemikroporozne silikate (velikost por od 0.5 do 2

RESEARCH ACTIVITIESInvestigations on porous materials:- zeolitic materials

- mesoporous materials

- cement research

Materials structural analysis:- X-ray diffraction

- nuclear magnetic resonance spectroscopy

- X-ray absorption spectroscopy

BIBLIOGRAPHY12 Original Scientific Articles1 Review Article2 Professional Articles9 Published Scientific Conference Contribu-


Contribution Abstract3 Invited Lectures at Foreign Universities3 Journal Editorships

IMPORTANT ACHIEVEMENTS IN 2006Investigations of porous materials:Transition-metal modified microporous silicates(zeolites) with pore openings from 0.5 to 2 nmare widely used as heterogeneous catalysts in

119


nm) uporabljamo kot okolju prijazneheterogene katalizatorje pri reakcijah oksidacij.Vgradnja prehodnih kovin v porozno silikatnoogrodje povzro~i nastanek katalitsko aktivnihmest. Katalitske lastnosti tak{nih materialov soodvisne od njihovega strukturnega tipa ternarave vgrajene kovine in njenega mestavgradnje v ogrodje. Mezoporozni silikati(premer por od 2 do 10 nm) omogo~ajoudele`bo v katalitskih reakcijah tudi molekulamve~jih dimenzij, vendar je njihova temperaturnastabilnost slab{a in ne dosegajo katalitskihlastnosti mikroporoznih silikatov. Na{e raziskaveso usmerjene v pripravo novih mikroporoznih/mezoporoznih kompozitnih materialov, kizdruùjejo dobre katalitske lastnosti intemperaturno stabilnost mikroporoznih terdimenzije por mezoporoznih materialov.Sintetizirali smo mikroporozne/mezoporoznekompozitne silikate modificirane s titanom.Mikroporozno in mezoporozno strukturo smoraziskali z rentgensko difrakcijo in transmisijskimelektronskim mikroskopom z visoko lo~ljivostjo.Lokalno okolico titana v silikatnem ogrodju smodolo~ili z rentgensko absorpcijskospektroskopijo. Rezultati karakterizacije kaèjona termi~no obstojne mikroporozne/mezoporozne kompozitne materiale s katalitskoaktivnimi mesti titana.Naravne zeolite uporabljajo pri odstranjevanjuamoniaka in te`kih kovin iz odpadnih in pitnihvoda. V sodelovanju z Univerzo v Zagrebu smopreu~ili mo`nosti odstanjevanja cinka izodpadnih vod galvanske industrije z metodorentgenske difrakcije na pra{kastih vzorcih terkomplementarnih analitskih metod, predvsemjedrske magnetne resonance in rentgenskeabsorpcijske spektroskopije.Za Salonit Anhovo, d.d., Deskle smo zaklju~iliraziskave vplivov 10 in 20 % dodatka kalcita nahidratacijo Portlandskega cementa. âsihidratacije so bili 1, 3, 7, 15, 28 in 90 dni pritemperaturah 25 in 40 °C. Raziskali smo tudivpliv 20 % dodatka kalcita razli~nih granulacij(d

sr = 20,5, 12,0, 1,6 in 0,83 mm) na potek

hidratacije v 15, 28 in 90 dneh pri 25 °C.

oxidation reactions. These catalysts exhibit re-markable catalytic activity due to transition-metal centers that are isolated in the silicateframework. Catalytic properties of these mate-rials depend on the structure type, location andthe nature of incorporated metal. The pore sizelimitations of microporous catalysts can be over-come by using mesoporous silicates with poreopenings from 2 to 10 nm when larger reac-tants have to be processed. However,mesoporous species do not exhibit excellentcatalytic properties of microporous silicates.Our research was focused on the preparationof novel microporous/mesoporous compositesilicates that combine good catalytic proper-ties and thermal stability of microporous andpore openings of mesoporous silicates. We havesynthesized microporous/mesoporous silicatesmodified by the titanium. Microporous andmesoporous structures were investigated by X-ray powder diffraction and High ResolutionTransmission Electron Microscopy. Local envi-ronment of the titanium in the silicate frame-work was identified by X-ray absorptionspectroscopy. The results of characterizationindicated thermal stability of preparedmicroporous/mesoporous composite silicateswith catalytically active titanium centres.Natural zeolites have been used for the removalof ammonia and heavy metals from drinkingwater and wastewaters. With the University ofZagreb, Croatia we explored the possibilities forthe zinc removal from wastewaters of galvanicindustry using X-ray powder diffraction meth-ods and complementary methods with theemphasis on nuclear magnetic resonance andX-ray absorption spectroscopy.The research performed for Salonit Anhovo d.d.,Deskle, Slovenia on the effects of 10 and 20 %addition of calcite on the hydration of Portlandcement was completed. The investigation wascarried out during different times of hydration(1, 3, 7, 15, 28 and 90 days) at two tempera-tures (25 and 40 °C). The study of the influ-ence of a 20 % addition of calcite, having dif-ferent particle size distributions (d

med. = 20.5,

120


Hidratizirane faze in njihove vsebnosti smoovrednotili z rentgensko pra{kovno difrakcijo,termogravimetri~no analizo ter infrarde~ospektroskopijo. Dodatki kalcita vplivajo nanastanek in vsebnost specifi~nih faz, ~ashidratacije pa na fazno sestavo termikrostrukturo hidratiziranega cementa.Iz TG (ASTM E1641) in DSC krivulj (metodaFlynn-Wall-Ozawa) smo dolo~ili karakteristikekineti~nega razpada (E

a, kJ/mol in A, min-1)

tetrakalcijevega monokarboaluminata 11-hidrata, ki nastaja v hidratiziranih cementih zdodatkom apnenca.

Strukturna analiza materialov:Z metodo rentgenske pra{kovne difrakcije inrentgenske difrakcije na monokristalih smodolo~ili strukture novih poroznihorganokovinskih spojin na fosfatni osnovi, kot

12.0, 1.6 and 0.83 mm), on the phase compo-sition of hydrated Portland cement after 15, 28and 90 days was also performed. Hydratedphases and their contents were evaluated andquantified by powder X-ray diffraction,thermogravimetric analysis and infraredspectroscopy. The additions of calcite influencedthe formation and contents of specific phases,whereas hydration times mainly affected finalphase compositions and the overall microstruc-ture of hydrated cement.The kinetic constants (E

a, kJ/mol and A, min-1)

for the thermal decomposition of tetracalciummonocarboaluminate 11-hydrate that formsduring the hydration of calcite-containing ce-ment were determined from thermogravimetricand DSC curves by ASTM E1641 and Flynn-Wall-Ozawa method, respectively.

SLIKA 1:

a) Fotografija presevne elektronske mikroskopije visoke

lo~ljivosti (HRTEM) mikroporoznega/mezoporoznega

(Ti,Al)-Beta/MCM-48 silikatnega kompozita s

popa~eno kubi~no razporeditvijo mezopor. b) Izsek

slike a) filtriran s pomo~jo Fourierjeve transformacije

prikazuje delokalizirano ureditev mikropor v

mezoporozni matrici.

FIGURE 1:

(a) High Resolution Transmission Electron Microscopy

(HRTEM) image of microporous/mesoporous (Ti,Al)-

Beta/MCM-48 silicate composite with a distorted

cubic arrangement of mesopores. The correspond-

ing electron diffraction pattern (inset) reveals the pres-

ence of microporous domains. (b) FFT filtered image

of the inset from Figure 1(a) shows a delocalised

micropore pattern having narrower lattice spacing

than the hosting mesoporous matrix.

a) b)

121


potencialnih adsorbentov za uporabo priskladi{~enju vodika.Z jedrsko magnetno resonanco smo pomagalikarakterizirati mezoporozne aluminofosftanemateriale in mikro-mezoporozne silikatnekompozitne materiale. Razvili smo metodo za{tudij korelacij med dipolno sklopljenimikvadrupolnimi jedri, npr. med jedri aluminija valuminofosfatih, ki uporablja mo~naradiofrekven~na polja. Mehanizem delovanjametode ni povzet po metodah za preprostej{esisteme sklopljenih jeder s spinom 1/2, temve~je specifi~en za kvadrupolna jedra.Z magnetno resonanco smo {tudirali tudizgradbo zanimivih litijevih spojin, ki bodo vbodo~e lahko izbolj{ale lastnosti litijevih baterij,in sistemati~no raziskovali spreminjanjekemijskega premika vodikovega jedra inkemijskega premika in kvadrupolne sklopitvenekonstante devterijevega jedra v prisotnostirazli~no mo~nih vodikovih vezi.

SODELOVANJE Z INDUSTRIJSKIMI INDRUGIMI PARTNERJI- Salonit Anhovo, d.d., Deskle: raziskave in

razvoj cementov z apnencem in mineralnimidodatki

- Krka d.d., Novo mesto: rentgenska pra{kovnaanaliza in dolo~anje specifi~ne povr{ine

MEDNARODNO SODELOVANJE- [esti okvirni program Evropske unije, NoE FP6

INSIDE PORES (2004-2008), Coordinator:National Center for Scientific Research“Demokritos”, Atene, Gr~ija

- ESRR – Evropski sklad za regionalni razvoj,Center odli~nosti “Nanoznanosti innanotehnologije” (2004–2006)

- ESRR – Evropski sklad za regionalni razvoj,NMR center odli~nosti za {tudij struktur ininterakcij v biotehnologiji in farmaciji (2004–2006)

- Slovensko-francoski bilateralni projekt, PRO-TEUS (2005–2006), Lavoisier Institute, Ver-sailles-Saint-Quentin-en-Yvelines University,Versailles, Francija

Materials structure analysis:X-ray powder and single-crystal diffraction wereused for the crystal structure determination ofnew porous phosphate-based inorganic-or-ganic compounds as potential adsorbents fortheir use in hydrogen storage.Nuclear magnetic resonance was used for thecharacterization of mesoporous alumin-osphosphate and micro-mesoporous silicatecomposite materials. We developed a methodfor studying correlations between dipolar-cou-pled quadrupolar nuclei, e.g. between alu-minium nuclei within aluminophosphates. Themethod employs strong radiofrequency fields.It is designed specifically for half-integerquadrupolar nuclei and it is not adopted fromtechniques for simpler systems of coupled spin-1/2 nuclei. Magnetic resonance was also usedfor studying structural properties of interest-ing lithium compounds that could substantiallyimprove characteristics of lithium batteries inthe future. We have also systematically studiedchanges in the isotropic chemical shift of hy-drogen and deuterium nuclei and changes inqudrupolar coupling constant of deuteriumnuclei participating in hydrogen bonds of vari-ous strengths.

COLLABORATION WITH INDUSTRIAL ANDOTHER PARTNERS- Salonit, Anhovo d.d., Deskle, Slovenia: inves-

tigations and development of cements withlimestone and mineral admixtures

- Krka d.d., Novo mesto, Slovenia: X-ray pow-der diffraction analyses and the determina-tion of specific surface areas

INTERNATIONAL COLLABORATION- The 6. Framework Programme of European

Union, NoE FP6 INSIDE PORES (2004-2008),Coordinator: National Center for ScientificResearch “Demokritos”, Athens, Greece

- ERDF – The European Regional DevelopmentFund, Centre of excellence “Nanoscience andnanotechnology” (2004-2006)

- ERDF – The European Regional Development

122


- Slovensko francoski bilateralni projekt, PRO-TEUS (2005–2006), Laboratory for Catalysisand Spectrochemistry, ISMRA-CNRS, Caen,Francija

- Slovensko argentinski bilateralni projekt(2006–2008), Unidad de Actividad Quimica,Buenos Aires, Argentina

- Slovensko hrva{ki bilateralni projekt (2005–2006), Institut Ru|er Bo{kovi}, Zagreb,Hrva{ka

- Slovensko srbski bilateralni projekt (2006–2007), Tehnolo{ko-metalur{ka fakulteta,Beograd, Srbija in ^rna Gora

- Projekt z Univerzo v Manchestru v okvirusporazuma o znanstvenem sodelovanju medSAZU in The Royal Society, London, VelikaBritanija

POMEMBNI IN[TRUMENTI IN OPREMA- Rentgenski pra{kovni difraktometer Siemens

D 5000 (sevanje CuKa z l = 1.5406Å) zasnemanje pra{kovnih posnetkov visokelo~ljivosti, pri visokih temperaturah od 50 do1450oC, pri nizkih temperaturah od vreli{~adu{ika do 400oC, v vakuumu ali drugihatmosferah ter snemanje tankih filmov.

- Rentgenski pra{kovni difraktometerPANalytical X’Pert PRO (sevanje CuKa z l =1.5406Å)) za snemanje pra{kovnih posnetkovv {tirih razli~nih konfiguracijah: (1) a

1 z

Johannsonovim monokromatorjem za vzorce

z ravno povr{ino, (2) kapilarna transmisija zhibridnim monokromatorjem, (3) standardnaBragg-Brentano, (4) paralelni àrek.

- Tristar 3000, avtomatski plinski analizator(Micromeritics Instrument Co.) za merjenjespecifi~ne povr{ine (BET), adsorpcijskihizoterm, volumna in porazdelitve porpra{kastih vzorcev.

- SDT 2960 sistem za termi~no analizo, DSC-TGA (TA Instruments Inc.) omogo~asimultane meritve energijskega pretoka inmasnih sprememb v materialih od sobne tem-perature do 1500oC.

Fund, NMR Centre of excellence for the studyof structures and interactions in biotechnol-ogy and pharmacy (2004-2006)

- Slovenia-France bilateral project, PROTEUS(2005-2006), Lavoisier Institute, Versailles-Saint-Quentin-en-Yvelines University, Ver-sailles, France

- Slovenia-France bilateral project, PROTEUS(2005-2006), Laboratory for Catalysis andSpectrochemistry, ISMRA-CNRS, Caen, France

- Slovenia-Argentina bilateral projekt (2006-2008), Unidad de Actividad Quimica, Bue-nos Aires, Argentina

- Slovenia-Serbia bilateral project (2006-2007),Faculty of Technology and Metallurgy, Uni-versity of Belgrade, Serbia and Montenegro

- Slovenia-Croatia bilateral project (2005-2006), Ru|er Bo{kovi} Institute, Zagreb,Croatia

- Project with University of Manchester withinthe frame of an agreement for scientific co-operation between Slovenian Academy ofSciences and Arts (SAZU) and The Royal So-ciety, London, Great Britain

MAJOR EQUIPMENT- X-ray powder diffractometer Siemens D 5000

(radiation wavelength CuKa = 1.5406Å) formeasurements of powder patterns with highresolution at high temperatures from 50 to1450 oC, at low temperatures from boilingpoint of liquid nitrogen to 400 oC in vacuumor other atmospheres and for measurementsof thin films.

- X-ray powder diffractometer PANalyticalX’Pert PRO (radiation wavelength CuKa =1.5406Å) for measurements of powder pat-terns on four different configuration: (1) al-pha1 with Johansson monochromator, forflat samples, (2) capillary transmission withHybrid monochromator, (3) standard Bragg-Brentano, and (4) parallel beam.

- Tristar 3000, an automated gas adsorption

123


- Sistem za termi~no nalizo (model TA 2000,TA Instruments Inc.), ki je sestavljen iz TGA(1200oC) in DSC (725oC) modulov.

- Microtrac S3500, aparatura za dolo~evanjevelikosti in porazdelitev delcev v mokrem alisuhem stanju. Obmo~je meritev za mokrevzorce od 0,02 µm do 1400 µm in za suhevzorce od 0,25 µm do 1400 µm.

- AutoPycnometer (Micromeritics InstrumentCo.) aparatura za avtomatsko dolo~evanjegostote materialov s helijem.

- Centrifuga Hettich, Rotanta 460 R hlajena(temperaturno obmo~je od –20oC do + 40oC

analyser (Micromeritics Instrument Co.) forspecific surface area (BET) measurements,adsorption isotherms, volume pore and poresize distribution of powder samples(mesopores and macropores: > 2 nm).

- SDT 2960 system for thermal analysis, DSC-TGA (TA Instruments Inc.) for simultaneousmeasurements of enthalpy and mass changesin materials (from 30 to 1500oC).

- Microtrac S3500 Particle Size Analyzer, wetor dry samples. The range of measurementfor wet samples is from 0.02 µm to 1400µm (2800 µm) and for dry samples from 0.25

SLIKA 2:

Matja` Mazaj med meritvami na sinhrotronu ELETTRA

(SAXS beamline) z gostujo~im raziskovalcem v na{em

laboratoriju G.J.A.A. Soler-Illia (z leve proti desni: Luca

Malfatti – Universita di Sassari, Alghero, Italija,

G.J.A.A. Soler-.Illia – Unidad de Actividad Quimica,

Buenos Aires, Argentina, Stefano Costacurta -

Universita di Sassari, Alghero, Italija, Paolo Falcaro –

Universita degli Studi di Padova, Padova, Italija,

Matja` Mazaj – Kemijski in{titut, Ljubljana, prof. Plinio

Innocenzi, Universita di Sassari, Alghero, Italija).

FIGURE 2:

Matja` Mazaj during measurements at the synchro-

tron ELETTRA (SAXS beamline) with visiting researcher

in our laboratory G.J.A.A. Soler-Illia (from the left:

Luca Malfatti – Universita di Sassari, Alghero, Italy,

G.J.A.A. Soler-.Illia – Unidad de Actividad Quimica,

Buenos Aires, Argentina, Stefano Costacurta -

Universita di Sassari, Alghero, Italy, Paolo Falcaro –

Universita degli Studi di Padova, Padova, Italy, Matja`

Mazaj – National Institute of Chemistry, Ljubljana,

Slovenia, Prof. Plinio Innocenzi, Universita di Sassari,

Alghero, Italy).

124


C). Hitrost vrtenja od 500 do 9500 obr/min.

- Ultra Turrax disperzer T25 (IKA).

- Mikrovalovna pe~ MLS-1200 MEGA (Mile-stone).

- Mikrovalovna pe~ ETHOS (Milestone).

- Mlin za me{anje in homogeniziranje prahov,suspenzij in past Retsch RM 100.

- Kalcinacijske pe~i: dve cevni (segrevanje do1000oC, hitrost segrevanja 1,5-2oC /min) inena komorna (segrevanje do 1200oC, hitrostsegrevanja 3oC/min).

IZOBRA@EVANJE IN OBISKI / GOSTOVANJAIzobraèvanje:- dr. Nata{a Novak Tu{ar je bila izvoljena v naziv

docent za podro~je kemije na Univerzi NovaGorica.

Obiski tujih raziskovalcev:

- dr. G.J.A.A. Soler-Illia, Unidad de ActividadQuimica, Buenos Aires, Argentina

- dr. Michael Stöcker, SINTEF, Norve{ka

- prof. Mladen Ei}, University of New Bruns-wick, Department of Chemical Engineering,Fredericton, NB Canada

- dr. Frederic Thibault-Starzyk, Laboratory forCatalysis and Spectrochemistry, ISMRA-CNRS,Caen, Francija

- prof. Nevenka Raji}, Tehnolo{ko-metalur{kafakulteta, Univerza v Beogradu, Srbija in ̂ rnaGora

- dr. Cleo Kosanovi}, Institut Ru|er Bo{kovi},Zagreb, Hrva{ka

- dr. Sanja Bosnar, Institut Ru|er Bo{kovi},Zagreb, Hrva{ka

Gostovanja:- dr. Maja Mrak je gostovala na Fritz-Haber-

Institut der Max-Planck-Gesellschaft, Berlin,Nem~ija (1 teden)

- Matja` Mazaj je gostoval na University of Ant-werp, Belgija (6 tednov)

- Sa{a Cecowski je gostovala na Unidad deActividad Quimica, Buenos Aires, Argentina(3 tedne)

µm to 1400 µm.

- AutoPycnometer (Micromeritics InstrumentCo.) for automatic determination of true den-sity of materials with helium.

- High-speed centrifuge, Hettich, Rotanta 460R, refrigerated (temperature control –20oC to+40oC). Speed control within a range of 500- 9.500 rpm.

- Ultra Turrax disperser T25 (IKA).

- Microwave oven MLS-1200 MEGA (Mile-stone).

- Microwave oven ETHOS (Milestone).

- Grinder for mixing and homogenizing pow-ders, suspensions and pastes, Retsch RM 100.

- Furnaces: two tubes (heating up do 1000oC,heating rate 1.5-2 oC/min) and one chamber(heating up to 1200oC, heating rate 3oC/min).

EDUCATION AND IMPORTANT VISITSEducation:- Dr. Nata{a Novak Tu{ar was elected assistant

professor for the field of chemistry at Univer-sity Nova Gorica, Slovenia

Visits of foreign researchers:- Dr. G.J.A.A. Soler-Illia, Unidad de Actividad

Quimica, Buenos Aires, Argentina

- Dr. Michael Stöcker, SINTEF, Norway

- Prof. Mladen Ei}, University of New Bruns-wick, Department of Chemical Engineering,Fredericton, NB Canada

- Dr. Frederic Thibault-Starzyk, Laboratory forCatalysis and Spectrochemistry, ISMRA-CNRS,Caen, France

- Prof. Nevenka Raji}, Faculty of Technology andMetallurgy, University of Belgrade, Serbia andMontenegro

- Dr. Cleo Kosanovi}, Ru|er Bo{kovi} Institute,Zagreb, Croatia

- Dr. Sanja Bosnar, Ru|er Bo{kovi} Institute,Zagreb, Croatia

Visits of foreign institutes:

125


- dr. Alenka Risti} in dr. Gregor Mali stagostovala v Laboratory for Catalysis and Spec-trochemistry, ISMRA-CNRS, Caen, Francija(2x1 teden)

- dr. Gregor Mali je gostoval na Lavoisier Insti-tute, Versailles-Saint-Quentin-en-YvelinesUniversity, Versailles, Francija (1 teden)

- dr. Nata{a Novak Tu{ar in dr. Alenka Risti} stagostovali na Institutu Ru|er Bo{kovi}, Zagreb,Hrva{ka

V letu 2006 smo pri karakterizaciji materialovuporabljali sinhrotronska sevanja v ve~jemobsegu kot v prej{njih letih:1)Sinhrotron ELETTRA (Bazovica, Italija):

rentgenska absorpcijska spektroskopija (XAFSbeamline) in rentgenska difrakcija pri nizkihkotih (SAXS beamline).

- Dr. Maja Mrak visited Fritz-Haber-Institut derMax-Planck-Gesellschaft, Berlin, Germany (1week)

- Matja` Mazaj visited University of Antwerp,Belgium (6 weeks)

- Sa{a Cecowski visited Unidad de ActividadQuimica, Buenos Aires, Argentina (3 weeks)

- Dr. Alenka Risti} and Dr. Gregor Mali visitedLaboratory for Catalysis and Spectrochemis-try, ISMRA-CNRS, Caen, France (2x1 week)

- Dr. Gregor Mali visited Lavoisier Institute, Ver-sailles-Saint-Quentin-en-Yvelines University,Versailles, France (1 week)

- Dr. Nata{a Novak Tu{ar and Dr. Alenka Risti}visited Ru|er Bo{kovi} Institute, Zagreb,Croatia

SLIKA 3:

Nata{a Novak Tu{ar med meritvami na sinhrotronu

ELETTRA (XAFS beamline) z raziskovalcem na ̀ arkovni

liniji Luca Olivi (drugi z leve) in postdoktorskim

raziskovalcem Andrea Cognigni (prvi z leve).

FIGURE 3:

Nata{a Novak Tu{ar during measurements at the syn-

chrotron ELETTRA (XAFS beamline) with beamline

scientisct Luca Olivi (second from the left) and post-

doctoral researcher Andrea Cognigni (first from the

left).

126


2)Sinhrotron DESY (Hamburg, Nem~ija):rentgenska absorbcijska spektroskopija (E4beamline).

3)Institute Laue Langevin (Grenoble, Francija):neutronska difrakcija (VIVALDI beamline).

Synchrotron radiation tools were used for ma-terials characterization to a larger extend in2006 as in previous years:1)Synchrotron ELETTRA (Basovizza, Italy): X-ray

Absorbtion Spectroscopy (XAFS beamline) inSmall Angle X-Ray Scattering (SAXSbeamline).

2)Synchrotron DESY (Hamburg, Germany): X-ray absorbtion Spectroscopy (E4 beamline).

3)Institute Laue Langevin (Grenoble, France):Neutron Diffraction (VIVALDI beamline).

127

Laboratorij za elektrokemijo materialovLaboratory for Materials Electrochemistry

L10Laboratorij za elektrokemijo materialov

Laboratory for Materials Electrochemistry

VODJA / HEADDoc. dr. Janko Jamnik

RAZISKOVALCI / RESEARCHERSDr. Marjan BeleDr. Robert DominkoDoc. dr. Miran Gaber{~ek

MLADI RAZISKOVALCI /YOUNG RESEARCHERSBo{tjan Erjavec (od / since 1. 11. 2006)Bo{tjan GenorioMirjana KüzmaJoè Mo{kon (od / since 1. 11. 2006)Du{an Strm~nik

TEHNI^NO OSEBJE / TECHNICAL STAFFMilena ZorkoGregor KapunMarjeta Kebri~ (delno / partly)

PRIPRAVNIKI / TRAINEESPetra Mihel~i~

128


PODRO^JA DEJAVNOSTIMateriali za energijske in informacijsketehnologije, podrobnej{a opredelitev:- {tudij kinetike transporta in sprememb kem-

ijske sestave v trdnih me{anih prevodnikih;

- vpliv nanostrukturiranosti trdnih kompozitovna izbrane lastnosti, kot so elektrokemijskoshranjevanje energije, raztapljanje, elektroka-taliza ipd. (uporaba v energetiki, informatiki,farmaciji);

- priprava in karakterizacija nanometrskih ovoj-nic okoli funkcionalnih delcev;

- priprava nanometrskih filmov na zunanjih in/ali notranjih povr{inah funkcionalnih materi-alov;

- vgradnja funkcionalnih materialov v ustreznematrike;

- vpliv povr{inskega naboja na stabilnost dis-perzij ter suspenzij; polielektrolitske titracije.

BIBLIOGRAFIJA17 izvirnih znanstvenih ~lankov3 objavljeni znanstveni prispevki na

konferencah (vabljeno predavanje)

RESEARCH ACTIVITIES- Materials for energy and information tech-

nologies

Detailed clasification:

- Study of transport kinetics and chemical com-position changes in solid mixed conductors

- Influence of nanostructuring of solid com-posites on selected properties, such as elec-trochemical energy storage, dissolution, elec-trocatalysis etc. (application in energetics,informatics and pharmacy)

- Preparation and characterization of nanome-tre-sized coatings on functional particles

- Preparation of nanometre-sized film on ex-ternal or internal surfaces of functional ma-terials

- Incorporation of functional materials intomatrices

- Influence of surface charge on stability ofdispersions and suspensions; polyelectrolytetitrations

129



1 objavljeni povzetek strokovnega prispev-ka na konferenci

2 prispevka na konferencah brez natisa1 kon~no poro~ilo o rezultatih raziskav1 diploma

GLAVNI DOSE@KI V LETU 2006Koncept me{anega potenciala zainsercijske materialeMe{ani potencial je zelo znan kineti~ni konceptna podro~ju korozije. Je posledica dveh ali ve~elektrokemijskih reakcij, ki so~asno potekajo napovr{ini prevodnega, najve~krat kovinskegamateriala. Neto tok, ki ustreza korozijskemupotencialu, je merilo za hitrost korozije, zatome{ani potencial pogosto imenujejo tudikorozijski potencial. V laboratoriju smougotovili, da lahko me{ani potencial definiramotudi na podro~ju insercijskih materialov, torejtakrat, ko je elektrokemijski potencial definiranz vgradnjo izbrane snovi (litija ipd.) v razli~negostujo~e materiale, ki so v medsebojnemelektri~nem kontaktu. Pokazali smo, da v temprimeru, zaradi omejene in znane mnoìnereaktantov, me{ani potencial lahko celoizpeljemo iz osnovnih termodinamskih zakonov.Izpeljano ena~bo lahko koristno uporabimo zaeksakten izra~un termodinamske napetostnekrivulje za poljubno kompozitno insercijskoelektrodo, ki se uporablja bodisi v baterijahbodisi sorodnih napravah.Kompoziti zdravilnih u~inkovin in izbranihanorganskih snoviNadzorovano spro{~anje zdravilnih u~inkovin jeeden najve~jih raziskovalnih izzivov tako napodro~ju farmacije kot materialov. Hitrostraztapljanja u~inkovine namre~ odlo~ilno vplivana absorpcijo in prehajanje u~inkovin v telo.Ugotovili smo, da se pri pripravi u~inkovin zobarjanjem (metoda z zamenjavo topila) zelospremeni morfologija delcev. Na primer priobarjanju naproksena se je specifi~na povr{inav primerjavi z originalnim (mikroniziranim)vzorcem pove~ala za okoli faktor 3, za podoben

BIBLIOGRAPHY17 Original Scientific Articles3 Published Scientific Conference Contribu-

tions (Invited Lectures)21 Published Scientific Conference Contribu-


Contribution Abstract2 Unpublished Conference Contributions1 Final Research Report1 Undergraduate Thesis

IMPORTANT ACHIEVEMENTS IN 2006Derivation of mixed potential for inser-tion materialsMixed potential is a well-known kinetic con-cept that is extensively used in corrosion stud-ies. It is a consequence of two or moreelectrochemical reactions proceeding simulta-neously on a conducting (usually metallic) sur-face. As the corresponding net current is oftenused as a measure for corrosion rate, the mixedpotential is also known as the corrosion poten-tial. We have found that a similar mixed-po-tential concept can be used for prediction ofelectrochemical properties of composite inser-tion materials. There the electrochemical po-tential is determined by simultaneous insertionof a species (e.g., lithium) into different hostmaterials held in electrical contact. As in inser-tion materials, unlike in corrosion, the totalquantity of reacting species is precisely known,it is even possible to derive the mixed potentialfrom basic thermodynamic laws. The derivedequation can be used for accurate predictionof thermodynamic charge-discharge curves forany practical composite battery electrode ofinterest.Drug – inorganic material composites foruse in pharmacyControlled drug release is a major research chal-lenge both in the field of pharmacy as well asin materials science. The rate of drug releasehas a crucial impact on the drug absorptionand its further distribution in body. We havefound that a properly controlled precipitation

130


faktor pa se je pove~ala tudi hitrost raztapljanja(v kislem mediju).Poseben izziv predstavlja priprava nano-kompozitnih materialov u~inkovina-anorganskinosilec. Razvili smo dva tipa takih nano-strukturiranih kompozitov, v obeh primerih smouporabili sol-gel postopek. V prvem primerusmo “in situ” obloìli delce modelne u~inkovines plastjo SiO

2, v drugem primeru pa smo

u~inkovino vklju~ili v anorgansko gelskostrukturo. Kot modelni primer za podroben{tudij kinetike raztapljanja smo uporabili sistemklaritromicin-silicijev dioksid. Tako v primeru SiO

2

oblog na klaritromocinu kot v primeru vgradnjeklaritromicina v SiO

2 matriko smo dosegli

zadràno spro{~anje. Pokazali smo, da so slednjikompoziti {e posebej homogeni, ~e sintezoizvajamo v kaplji~nem reaktorju; na ta na~inlahko precej natan~neje reguliramo tako ~as kotprostor, v katerem reakcija poteka.V tretjem segmentu raziskav smo se osredoto~ilina pripravo materialov, ki bi u~inkovito odpravilinezaèlene stranske pojave pri uporabi

method essentially modifies the morphology ofprecipitated drug particles. In particular, thespecific surface area of naproxen can be in-creased by a factor of 3, if compared to thedrug prepared according to a conventional pro-cedure. The rate of drug release is increased bya similar factor.A special challenge is preparation of nano-composites composed of a drug substances andan inorganic compound. We prepared twotypes of such composites, in both cases we usedmodified sol-gel procedures. The first compos-ite consisted of drug particles, each of whichwas covered uniformly with a micrometre-thicksilica layer. In the second case, we incorporatedselected drug into a silica gel-like matrix. Asthe model system for detailed study of releaseprofiles we used well-defined silica-clarithro-mycine composites. Both the coated-drug andthe incorporated-drug types of compositesshowed significantly decreased release rateswith respect to the untreated drug. We havefound that the distribution of drug in the inor-

SLIKA 1:

Morfologija naproksena, prekristaliziranega po

obi~ajnem postopku. Tipi~ne dimenzije delcev: 20–

100 mikrometrov.

FIGURE 1:

Morphology of naproxen prepared according to a

standard procedure. Typical particle dimensions: 20

– 100 micrometres.

131


kovinskih medicinskih vsadkov (implantatov). Naeni strani je potrebno za{~iti vsadke predkorozijo, na drugi pa prepre~iti, da telo zaznavsadek kot tujek. Znano je, da bi obe funkcijilahko imeli obloge na osnovi hidroksiapatitov– spojin, ki so sicer glavna sestavina kosti. Izkaèse, da je priprava hidroksiapatitov s kontroliranosestavo in hkrati kontrolirano morfologijo zelozahtevna naloga. Kljub temu smo v sodelovanjuz Institutom Joèf Stefan uspeli pripraviti gostein tanke hidroksiapatitne obloge, ki za nekajredov velikosti zmanj{ajo hitrost korozije tipi~nihkovinskih vsadkov. Pri tem je klju~nega pomena,da smo v obloge uspeli vgraditi tudi dolo~enokoli~ino zdravilne u~inkovine, ki naj bi obpo~asnem spro{~anju imela analgetski u~inekv postoperativnem obdobju.

SODELOVANJE Z INDUSTRIJSKIMI INDRUGIMI PARTNERJI- Iskra TELA d.d., PE Baterije Zmaj, [entvid pri

Sti~ni: optimizacija baterijskih elektrod;

- Belinka d.d., Ljubljana: {tudij stabilnostibarvnih suspenzij;

- Lek d.d., Ljubljana: priprava kompozitov skontroliranim spro{~anjem u~inkovin;

- Predilnica Litija, partner v Centru odli~nostiNanoznanosti in nanotehnologije, Evropskisklad za regionalni razvoj – ESRR, ukrep 1.1.in 1.4;

- Atotech Podnart, d.d., partner v Centruodli~nosti Nanoznanosti in nanotehnologije,ESRR, ukrep 1.1. in 1.4;

- JUB, kemi~na industrija d.d., Dol pri Ljublja-ni.

MEDNARODNO SODELOVANJE- ALISTORE, mreà odli~nosti v 6. okvirnem

programu Evropske unije;

- Nanoscale Functionalities for Targeted Deliv-ery of Biopharmaceutics (FP6-2004-NMP-NI-4) - NANO(BIOPHARMACEUTICS, Integriraniprojekt (Ips) znotraj 6. evropskega okvirnegaprograma.

ganic matrix is especially homogeneous if thesynthesis is carried out in a »droplet-reactor«.This way, the space and time within which thereaction takes place is much easier to control.One research segment was devoted to prepa-ration of protective coatings on metallic medi-cal implants. The coatings are supposed to pos-sess two functions: they should protect theimplant against corrosion but must also bebiocompatible to prevent reaction of the bodyagainst the implant. A good candidate for suchcoating seems to be hydroxyapatite – acompund that is the main constituent of bones.The problem is that it is very difficult to synthe-size hydroxyapatite with a controlled composi-tion and, especially, controlled morphology. Incooperation with Jozef Stefan Institute we havesucceeded to prepare thin and dense hydroxya-patite coatings that decrease the corrosion rateof metallic implants by about three orders ofmagnitude. It is essential that we managed toincorporate into such coatings also a certainamount of drug. Its slow release into the bodyis supposed to have analgetic effects duringpost-surgical period.

COLLABORATION WITH INDUSTRIAL ANDOTHER PARTNERS- Iskra TELA d.d., PE Baterije Zmaj, [entvid pri

Sti~ni, Slovenia: optimisation of battery elec-trodes;

- BELINKA d.d., Ljubljana, Slovenia: stability ofpaint suspensions;

- LEK d.d., Ljubljana, Slovenia: composites withcontrolled release of drugs;

- Predilnica Litija, Slovenia: partner in Nano-sciences and Nanotechnologies Centre ofExcellence;

- Atotech Podnart, d.d., Slovenia: partner inNanosciences and Nanotechnologies Centreof Excellence;

- JUB, chemical industry d.d., Dol pri Ljubljani,Slovenia.

132


POMEMBNI IN[TRUMENTI IN OPREMA- Vrsti~ni elektronski mikroskop na poljsko

emisijo Karl Zeiss Supra 35 VP, opremljen zanalizatorjem EDS (Oxford INCA 400);

- sistemi za elektrokemijske, impedan~ne,mikroimpedan~ne in elektri~ne meritve(EG&G Model 283, Solartron SI 1260, ECI1286, FRA 1250, HP 4284 LCR meter, KarlSüss, Keithley 237);

- 2 komori Braun za delo v atmosferi z vlagopod 1ppm in vsebnostjo kisika pod 5ppm;

- polielektrolitski titrator (Metrohm, 736 GPTitrino) z detektorjem strujnega toka(Muetek, PCD 03).

IZOBRA@EVANJE IN OBISKI / GOSTOVANJAMentorstva:1.ERJAVEC, Bo{tjan: Kondenzatorji na osnovi

elektri~nega dvo-sloja: tehnologija priprave

in karakterizacija, diplomsko delo, Ljubljana;[B. Erjavec], 2006, M. Gaber{~ek: somen-tor.

INTERNATIONAL COLLABORATION- ALISTORE, 6th EU Framework Network of Ex-

cellence;

- Nanoscale Functionalities for Targeted Deliv-ery of Biopharmaceutics (FP6-2004-NMP-NI-4) - NANO(BIOPHARMACEUTICS, Integratedproject in the 6th EU Framework.

MAJOR EQUIPMENT- Field-Emission Scanning Electron Microscope

(Karl Zeiss Supra 35 VP, equipped with EDS(Oxford INCA 400);

- Systems for electrochemical, impedance, mi-croimpedance and electrical measurements(EG&G Model 283, Solartron SI 1260, ECI1286, FRA 1250, HP 4284 LCR meter, KarlSüss, Keithley 237);

- 2 Braun dry boxes (humidity < 1ppm, oxy-gen < 5ppm).

SLIKA 2:

Morfologija naproksena, pripravljenega z metodo

obarjanja z zamenjavo topila. Tipi~ne dimenzije

delcev: 1–10 mikrometrov.

FIGURE 2:

Morphology of naproxen prepared according to a

modified precipitation procedure. Typical particle di-

mensions: 1 – 10 micrometres.

133


EDUCATION AND IMPORTANT VISITSMentorships:

1.ERJAVEC, Bo{tjan. Kondenzatorji na osnovi

elektri~nega dvo-sloja: tehnologija priprave

in karakterizacija : diploma thesis. Ljubljana:,M. Gaber{~ek: co-mentor.

2.GODEC, Alja`. The influence of space restric-tion on the formation and stability of poly-morphs. In: VITEZI], Natalija (ed.). 16. sym-posium, 27. October 2006. (Krka award).Novo mesto: Krka, 2006, M. Gaber{~ek: men-tor.

3.MAVER, Uro{. New sieving device with mod-ified polymeic sieves for separation and par-ticle size analysis. In: VITEZI], Natalija (ed.).16. symposium, 27. October 2006. (Krkaaward). Novo mesto: Krka, 2006, p. 75. M.Bele: mentor.

Visits of foreign institutes:- Robert Dominko, Université de Picardie, Ami-

ens, France and Uppsala University, Sweden.

- Janko Jamnik, Max-Planck Institute, Stuttgart,Germany.

2.GODEC, Alja`: Vpliv prostorske restrikcije na

nastanek in stabilnost polimorfnih oblik =

The influence of space restriction on the for-

mation and stability of polymorphs. V: VITE-ZI], Natalija (ur.). 16. simpozij, 27. oktober2006. 36. Krkine nagrade. Novo mesto: Krka,2006, M. Gaber{~ek: mentor.

3.MAVER, Uro{: Stresalna naprava z modificira-

nimi polimernimi siti za lo~evanje in analizo

velikosti delcev = New sieving device with

modified polymeic sieves for separation and

particle size analysis. V: VITEZI], Natalija (ur.).16. simpozij, 27. oktober 2006. 36. Krkinenagrade. Novo mesto: Krka, 2006, str. 75.M. Bele: mentor.

Gostovanja:- Robert Dominko, Université de Picardie, Ami-

ens, Francija ter Univerza Uppsala, [vedska;

- Janko Jamnik, Max-Planck Institut, Stuttgart,Nem~ija.

SLIKA 3:

Tanka obloga iz hidroksiapatita za za{~ito medicinskih

vsadkov. Obloga vsebuje tudi zdravilno u~inkovino

(drobni delci med plo~icami).

FIGURE 3:

Thin hydroxyapatite coating for protection of metal-

lic medical implants. The coating contains a drug

substance (seen as powder between the platelets).

134


135

Laboratorij za biosintezo in biotransformacijo Laboratory for Biosynthesis and Biotransformation

L11Laboratorij za biosintezo inbiotransformacijo

Laboratory for Biosynthesis andBiotransformation

VODJA / HEADProf. dr. Radovan Komel

RAZISKOVALCI / RESEARCHERSdr. Gabrijela Ambroì~ (LEK)dr. Marija Anùr-Lasnik (LEK)dr. Apolonija Bedina Zavecdr. Irena Fondadr. Vladimira Gaberc-Porekardr. Katja Gale{amag. Simona Jev{evar (LEK)dr. Branka Koro{ecdr. Nada Kra{evecMen~i Kunstelj (LEK)dr. Ana Lenassi Zupandr. Viktor Menart (KI / LEK)

Barbara Podobnik (LEK)dr. Marjetka Podobnikmag. Tatjana PreradovVanja Smilovi}mag. Irena Zore (LEK)

MLADI RAZISKOVALCI /YOUNG RESEARCHERSUr{ka DermolPetra Dra{kovi~Gorazd HribarMaja Kenig (LEK)Mateja Kusterle (LEK)Ljerka LahMateja Novak [tagoj[pela PeternelMatja` Vogelsang

TEHNI^NO OSEBJE / TECHNICAL STAFFMaja CapuderKarmen êrki~ (LEK)Ana-Marija JesenkoJelka Lenar~i~Nata{a Lileg Ta{lerMateja Skok (LEK)Tea Tom{i~

136

Laboratorij za biosintezo in biotransformacijoLaboratory for Biosynthesis and Biotransformation

PODRO^JA DEJAVNOSTIRaziskave laboratorija L11 potekajo v okviruzdruènega programa med Kemijskim in{titu-tom ter Medicinsko in Veterinarsko fakultetoUniverze v Ljubljani: »Funkcijska genomika inbiotehnologija za zdravje« (P1-0104) in trehraziskovalnih projektov: »Mikro in nano delci vbiotehnologiji«, »Strukturne raziskave inozitol-polifosfatnih kinaz« (J4-6463) in »Rekom-binantno cepivo proti aviarni influenci« (M1-0150).Raziskovalni program sestavljajo naslednjapodro~ja:- Preu~evanje metod za pridobivanje biofarma-

cevtikov – rekombinantnih citokinov ternjihova modifikacija;

- celi~na biologija kvasovke S. cerevisiae;

- biotehnologija ni`jih evkariontov (nitaste glivein kvasovke);

- preu~evanje in kloniranje genov za pretvorbesteroidov pri nitastih glivah;

- strukturne raziskave biolo{ko aktivnihmolekul;

- funkcijska genomika.

RESEARCH ACTIVITIESResearch work of laboratory L11 is accom-plished through a multiparty research pro-gramme incorporating National Institute ofChemistry, Faculty of Medicine and VeterinaryFaculty of the University of Ljubljana, Slovenia,as well as through three research projects. Theresearch programme is entitled ‘Functionalgenomics and biotechnology for health’ (P1-0104) and research projects bear the followingtitles: ‘Micro- and nano-particles in biotechnol-ogy’ (L4-6171), ‘Structural studies of inositolpolyphosphate kinases’ (J4-6463) and ‘Recom-binant vaccine against avian flue’ (M1-0150).Research program of Laboratory L11 includesresearch areas:- Investigation of approaches to biotechnologi-

cal production of biopharmaceuticals -recombinant cytokines and their modifica-tion.

- Cell biology of the yeast Saccharomyces

cerevisiae.

- Biotechnology of lower eukaryotes (filamen-tous fungi and yeasts).

137


Metodolo{ki pristopi za izvajanje programa so:- gensko oziroma proteinsko inènirstvo:

na~rtovanje in pridobivanje novih, delnospremenjenih proteinskih molekul z izbolj-{animi lastnostmi za uporabo ali za la`jepridobivanje;

- proteinski laboratorij: modifikacija, izolacija,pre~i{~evanje in karakterizacija rekom-binantnih proteinov;

- fermentacijska tehnologija: preu~evanjeosnovnih parametrov biosinteze s poudarkomna zakonitostih, ki veljajo za rekombinantneseve;

- celi~ne kulture: gojenje sesalskih celi~nih linij;uvajanje novih metod za testiranje biolo{keaktivnosti biofarmacevtikov;

- funkcijska genomika in proteomika: kvasnidvo-hibridni sistem za ugotavljanje celi~nihinterakcij “protein-DNA” oz.”protein-pro-tein”;

- Study and cloning of steroid bioconvertinggenes in filamentous fungi.

- Structural studies of biologically active mol-ecules.

- Functional genomics.

Methodological approaches:- Genetic and protein engineering: design and

production of novel, partially modified pro-tein molecules with improved properties forfinal use or simplified isolation/purification.

- Protein laboratory: isolation, purification andcharacterisation of recombinant proteins.

- Fermentation technology: studies of basicparameters of biosynthesis, with an empha-sis on the principles for recombinant strains.

- Cell cultures: cultivation of mammalian celllines; introduction of new methods for bio-logical activity testing of cytokines.

SLIKA 1:

Neklasi~na inkluzijska telesa GCSF iz E. coli,

pridobljena s homogeniziranjem celic in pazljivim

spiranjem z destilirano vodo. Slikano z elektronskim

mikroskopom, na z zlatom prevle~eni polikarbonatni

podlogi IsoporeTM

FIGURE 1:

Non-classical inclusion bodies of GCSF from E. coli,

prepared by cell disruption in a homogenizer and

thoroughly washed in pure water, as observed under

scanning electron microscope on a gold-coated

polycarbonate IsoporeTM membrane filter.

138


- funkcijska analiza onkogenih mutacij vkvasovkah;

- lokalizacija celi~nih proteinov s fluorescen~nomikroskopijo;

- preto~na citometrija in sortiranje celic;

- preu~evanje tri-dimenzionalnih strukturbiolo{ko aktivnih molekul z X-àrkovnokristalografijo in nuklearno magnetnoresonanco (NMR).

BIBLIOGRAFIJA11 izvirnih znanstvenih ~lankov1 pregledni znanstveni ~lanek2 kratka znanstvena prispevka3 poljudni ~lanki9 intervjujev1 srednje{olski, osnovno{olski ali drugi

u~benik z recenzijo1 priro~nik, slovar, leksikon, atlas, zemljevid

- Genomics and proteomics: yeast two-hybridsystem at looking for cellular “protein-DNA”and “protein-protein” interactions; functionalanalysis of human oncogenic mutations inyeast.

- Protein cellular localisation by fluorescencemicroscopy.

- Flow cytometry and cell sorting.

- Three-dimensional structure determination ofbiologically active molecules by X-raycrystallography and nuclear magnetic reso-nance (NMR).

BIBLIOGRAPHY11 Original Scientific Articles1 Review Article2 Short Scientific Articles3 Popular Articles9 Interviews

SLIKA 2:

Dimer Rv0805 (protomera vsebujeta aminokisline 1-

278). Protomera Rv08051-278 (rumeno in sivo)

dimerizirata tako, da sta aktivni mesti na nasprotnih

straneh dimera. Kovinski ioni so ozna~eni z barvastimi

kroglicami, fosfat (P, oran`no; O, rde~e), pomembne

aminokisline blizu stika med molekulama pa kot

pali~ice (C, zeleno; N, modro; O, rde~e). Planarna voda

je ozna~ena kot rde~a kroglica. Dvo{tevna kristalo-

grafska os je ozna~ena s prekinjeno ~rto.

FIGURE 2:

The Rv0805 dimer (of protomers containing amino

acids 1-278). Rv08051-278 protomers (yellow and grey)

dimerize in a manner that places one active site on

each side of the dimer. Metals are represented by

labeled spheres and phosphate (P, orange; O, red)

and residues proximal to the dimer interface by sticks

(C, green; N, blue; O, red). The planar water is ren-

dered as a red sphere. The two-fold crystallographic

axis is marked by a dotted line.

139


2 objavljena znanstvena prispevka nakonferencah


1 objavljeni povzetek strokovnega pris-pevka na konferenci

1 patentna prijava1 patent1 prispevek na konferenci brez natisa4 vabljena predavanja na konferencah brez

natisa5 diplom1 magisterij2 doktorata2 uredni{tvi revij

DOSE@KI V LETU 2006V sklopu raziskav biosinteze rekombinantnihproteinov (biofarmacevtikov) smo raziskovaliprocese, ki v bakteriji E. coli vodijo do tvorbe»neklasi~nih« inkluzijskih teles. Njihovazna~ilnost je, da vsebujejo visok dele` pravilnozvitega tar~nega proteina oziroma njegovegaprekurzorja, ki ga lahko iz inkluzijskih telesizoliramo z blago ekstrakcijo pri nedena-turirajo~ih pogojih. Postopek izolacije se takobistveno skraj{a, poceni in postane okoljuprijaznej{i, kar je za biotehnolo{ke postopkezelo pomebno.Neklasi~na inkluzijska telesa so zanimiva tudizaradi nekaterih zanimivih lastnosti (poroznost,kr~enje pri nizkem pH), ki zmanj{ajo ekstra-ktabilnost tar~nega proteina in tako vplivajo naproces izolacije. Raziskave (in vivo ter in vitro)kaèjo, da proteini v inkluzijskih telesih nisoza{~iteni pred encimsko razgradnjo. Prav telastnosti neklasi~nih inkluzijskih teles sopomembne pri nadaljnjih raziskavah, saj odkritjelahko uporabimo tako v biotehnologiji kot vmedicini (konformacijske bolezni).Kemijski in{titut je eden od partnerjev vmednarodnem evropskem projektu z naslovom»Nanoscale Functionalities for Targeted DrugDelivery of Biopharmaceutics« ali kraj{e»Nanobiopharmaceutics«, ki te~e v sklopu 6.okvirnega programa EU (FW6) od leta 2006 do

1 Reviewed Secondary and Primary SchoolTextbook or Other Textbook

1 Manual, Dictionary, Lexicon, Atlas, Map2 Published Scientific Conference Contribu-



Contribution Abstract1 Patent Application1 Patent1 Unpublished Conference Contribution4 Unpublished Invited Conference Lectures5 Undergraduate Theses1 Master’s Thesis2 Doctoral Dissertations2 Journal Editorships

RESULTS IN 2006Biosynthesis of recombinant proteins inbacteria E. coli at low temperatures leads tothe formation of “nonclassical” inclusion bod-ies (ncIBs). They contain high amount of prop-erly folded target protein (or its precursor),which can be easily extracted from ncIBs withmild extraction in non-denaturing conditions.This results in much shorter, cheaper and envi-ronment-friendly downstream process.“Nonclassical” inclusion bodies have some in-teresting properties (porosity, low pH contract-ibility) that reduce extractability of target pro-tein from ncIBs and thus affect downstreamprocess. Studies show that proteins inside ncIBsare not protected form proteolysis neither in-side bacterial cells nor after the isolation. Webelieve the phenomenon of ncIBs is worthstudying further as important implications inbiotechnology and medicine are foreseen.National Institute of Chemistry is one of thepartners in an international European project“Nanoscale Functionalities for Targeted DrugDelivery of Biopharmaceutics” (2006-2009) orshortly “Nanobiopharmaceutics”, within theSixth Framework Programme for research andtechnological development (FP6). LaboratoriesL07, L10 and L11 are engaged in this research.

140


2009, pri njem pa sodelujejo oddelki L07, L10in L11. Namen tega projekta je uporabitinaravno lastnost proteinskih molekul, da teìjok agregaciji oz. samozdruèvanju, vendar bomouporabili proteinske analoge s posebnimipodalj{ki, ki bodo sposobni nadzorovaneagregacije proteinskih molekul v proteinskenanostrukture. Kot modelne proteine bomouporabili analoge dejavnika tumorske nekrozealfa (TNF-alfa). Te proteinske nanostrukturebi lahko sluìle kot osnova za protitumorskoterapijo s podalj{anim delovanjem ali pa zasproìtev pove~anega imunskega odziva in stem nastanka protiteles proti TNF-alfa, kateregaraven je pri kroni~nih vnetnih stanjih, kot sorevmatoidni artritis, Chronova bolezen inpsoriaza, zelo povi{an.V letu 2006 smo s pomo~jo kovinsko kelatneafinitetne kromatografije (IMAC) izolirali ve~jokoli~ino proteina His10-TNF (50 mg) in gaokarakterizirali. Naredili smo tudi nekajpreliminarnih poskusov agregacije analogaHis10-TNF s kovinskimi ioni in polifunk-cionalnimi kelatorskimi molekulami.Ena izmed glavnih ovir za {ir{o terapevtskouporabnost TNF-α je prav gotovo njegovasistemska toksi~nost ter kratkoìvost priaplikacijah in vivo. Kemijska modifikacijaproteinov s polietilenglikolom (PEG) bi lahkopredstavljala dobro re{itev, saj je znano, dapegilacija podalj{a ~as kroènja farmacevtskouporabljenih proteinov v organizmu, zvi{astabilnost proteinov in doprinese k zmanj{anjuimunogenosti. Najbolj raz{irjen pristopmodifikacije proteinov s PEG-om je naklju~napegilacija, ki je usmerjena na ε-amino skupinelizinov ter na N-terminalno amino skupino. Kerje {tevilo dostopnih Lys na proteinu ponavadiveliko, nastane zelo kompleksna zmespozicijskih izomerov in multipegiliranihproteinov. Za bolj specifi~no pegilacijo smopreizkusili pristop pegilacije na afinitetni koloniz imobiliziranimi kovinskimi ioni (IMAC), nakatero smo vezali analog TNF-α z oznako LK-801, ki vsebuje dve histidinski mutaciji. Zaraditrimerne strukture nastane klaster {estih

The aim of the project is to exploit the naturalpropensity of protein molecules, which tend toself-assemble into higher structures, however,specifically designed protein analogues withspecial tags enabling controlled aggregationand protein nanostructure formation will beemployed. Specifically designed analogues oftumor necrosis factor alpha (TNF-alpha) willserve as model proteins Such protein nano-structures could be used in anti-cancer therapyenabling sustained release of captured proteinor for the activation of immune response andgeneration of antibodies against TNF-alpha thatis pathogenically elevated in various chronicdiseases (rheumatoid arthritis, Crohn disease,psoriasis, etc.)The project started in October 2006 by prepa-ration and characterisation of a larger amountof His10-TNF (50 mg). Some preliminary testsof aggregating His10-TNF with metal ions andpolyfunctional biocompatible chelating com-pounds were also performed.Major limitations for broad therapeutic appli-cability of tumor necrosis factor alpha (TNF-α)are severe systemic toxicity and very short invivo half-life. Taking into account that todaywidely used chemical modification of pro-teins by polyethylene glycol (PEG) generallyincreases in vivo circulating half-life, improvesprotein stability and reduces immunogenicity,pegylation might be an appropriate solution.The most commonly performed pegylation re-action is random pegylation targeted preferen-tially towards ε-amino groups of lysines (Lys)and the N-terminal amino group. Usually, thenumber of surface exposed Lys residues is highleading to complex mixtures of numerouspositional isomers and multi-pegylated forms.To reduce the number of different pegylatedspecies an on-column pegylation approach wastested using Immobilized Metal Affinity Chro-matography (IMAC). TNF-α analogue LK-801with double histidine mutation was used as amodel protein. Due to the trimeric structure,LK-801 possesses a surface cluster of sixhistidines enabling excellent chromatographic

141


histidinov, ki omogo~a odli~no vezavo narazli~nih nosilcih IMAC. Primerjali smoselektivnost in stopnjo pegilacije modelnegaproteina pri reakciji na koloni oz. v raztopini terpreizkusili izolacijo in pegilacijo LK-801 v enistopnji. Rezultati kaèjo, da IMAC ne ponujasamo mo`nosti u~inkovite pegilacije na koloni,temve~ tudi perspektivo za sklopljen proces~i{~enja rekombinantnega proteina in pegilacijev imobilizirani obliki na koloni.V sklopu raziskav humanega limfotoksinaalfa (LT-α) smo izdelali strategijo za izolacijopodalj{ane oblike rekombinantnega LT-α .Uporabili smo rekombinantni sev bakterije E.

coli, ki izraà humani LT-α s histidinskimpodalj{kom (His7) na N-terminalnem koncumolekule. Ve~ina rekombinantnega proteina seje izlo~ala v obliki inkluzijskih teles. Ker sopredhodni poskusi pokazali, da ne gre za»neklasi~na« inkluzijska telesca, smo le-taraztopili v visoki koncentraciji denaturanta. Pro-tein smo v denaturirani obliki vezali nakromatografski nosilec Ni-NTA, ki specifi~noveè proteine s {tevilnimi zaporednimi histi-dinskimi ostanki. Elucijo smo izvedli s pufrom,ki je vseboval EDTA. Renaturacijo denatu-riranega proteina smo izvedli z zamenjavopufra, red~enjem v renaturacijskem pufru inrenaturacijo na koloni. Najbolj{e rezultate smodosegli z red~enjem v pufru, ki je vseboval 2 Mureo in 1 M nemicelarni sulfobetain NDSB 201.V sodelovanju z National Institute for Biologi-cal Standards and Control iz Velike Britanije smoobjavili {tudijo o in vitro biolo{ki aktivnostiinterferona alfa. Svetovna zdravstvena orga-nizacija zahteva, da so mednarodni biolo{kistandardi dolgoro~no stabilni pri priporo~enitemperaturi hranjenja. Toplotna stabilnost seobi~ajno ocenjuje v {tudijah s pospe{enotoplotno razgradnjo, pri ~emer ampuleliofiliziranega standarda pred testiranjemshranjujemo pri povi{anih temperaturah. Zapotrditev predvidene visoke toplotne stabilnosti,drugega mednarodnega standarda za inter-feron alfa-2b (IFN-α2b; 95/566), smo preveriliaktivnost ampuliranih vsebin tega standarda po

behaviour and specific orientation of the mol-ecule. Additionally to on- column pegylationof the purified LK-801, a coupled process ofprotein purification and on-column pegylationwas tested. Our results suggest that IMAC of-fers not only the possibility of an efficient on-column pegylation but also the prospect of thecoupled purification and on-column pegylationprocesses.In the framework of recombinant humanlymphotoxin alpha (LT-α) studies, a strategyfor isolation of the extended form of LT-α wasdeveloped. For biosynthesis, a previously pre-pared E. coli strain capable of expressing hu-man LT-α with a histidine tag (His7) appendedto the natural hydrophobic N-terminus wasused. Majority of the expressed recombinantprotein was found in the form of inclusion bod-ies; however the preliminary experiments de-nied their »non-classical« nature, therefore solu-bilization was performed with high concentra-tions of denaturants. Completely denateredprotein was purified on the Ni-NTA matrix,which selectively binds proteins with numer-ous adjacent histidine residues. After purifica-tion, various types of renaturation were tested.On-column renaturation was also performed,however, the highest recovery of the active pro-tein was obtained by dilution with renatura-tion buffer containing 2 M urea and 1 M NDSB201.In cooperation with National Institute for Bio-logical Standards and Control we publishedstudy on in vitro testing of biological ac-tivity of interferon alpha. A World Health Or-ganization requirement for biological standardsis that they should exhibit long-term stabilityat their recommended storage temperature.Thermal stability is usually evaluated in acceler-ated thermal degradation studies, where am-poules of the lyophilized standard are storedat elevated temperatures before testing. Toconfirm the predicted very high thermal stabil-ity of the 2nd international standard of humaninterferon alpha-2b (IFN-α2b; 95/566), wetested the potency of the ampouled contents

142


9 letih hrambe pri temperaturah med -150°Cin 56°C. Glede na visoko variabilnost znotrajposkusa pri testu protivirusne aktivnosti (AVA),smo preu~evali nov pristop testiranja zreporterskim genom (RGA), ki temelji navzbujanju izlo~anja alkalne fosfataze (SEAP), zaprimerjavo in to~nost ocen aktivnosti. Pokazalismo, da je RGA podal podobne ocene ob skupnini`ji variabilnosti. Poleg tega je pretvorbo p-nitrophenyl fosfata s SEAP v rumeno obarvaniprodukt mo~ spremljati kineti~no. Pokazali smo,da so od~itki absorbance nara{~ali s ~asom vodvisnosti od nara{~ajo~e koncentracijeinterferona. Ko so bili od ~asa odvisni prirastkiizrisani grafi~no, so bili nakloni premicsorazmerni z uporabljeno koncentracijo. Tapristop je omogo~il uporabo posameznered~itve vzorcev interferona za oceno njegoveaktivnosti z interpolacijo na standardno premicopod pogojem molekularne strukturne identi~-nosti s standardom. Pristop se zdi privla~en zavisoko preto~no testiranje aktivnosti razli~nihR&D vzorcev interferona in morebiti {ir{e tudidrugih citokinov.Mejoza je evolucijsko ohranjen proces, prikaterem nastanejo haploidne spore ali spolnecelice. Za normalno raven sporulacije inpreìvetje spor v kvasovki Saccharomyces

cerevisiae je potreben protein Ecm11. Ta pro-tein ima vlogo v zgodnjih fazah mejoze, kjer jenjegova funkcija vezana na podvojevanje DNAin crossing-over. Znano je, da se v dvo-hibridnem sistemu Ecm11 veè na proteinSUMO (Smt3). Po{kodbe uravnavanja sistemaSUMO pri ~loveku povzro~ijo tumorigenezo,spremenjen vnetni odziv in nevrodegenerativnebolezni. Zato je zelo pomembno, da razumemoproces sumoilacije, da odkrijemo kateri proteiniso uravnavani s proteinom SUMO in ugotovimodelovanje njihove sumoilacije. V letu 2006 smose osredoto~ili na preu~evanje uravnavanjaEcm11 s proteinom SUMO. Sumoilacijo Ecm11smo potrdili s pomo~jo koimunoprecipitacije.Za ugotavljanje biolo{ke vloge sumoilacije tegaproteina med mejozo smo mu z mutacijamispremenili predvidena vezavna mesta za SUMO.

of this standard after 9 years storage at tem-peratures ranging from -150°C to 56°C. SinceIFN-á2b potency estimates derived from theresults of antiviral assays (AVA) showed highwithin assay variability, we investigated a novelreporter gene assay (RGA) based on inductionof secreted alkaline phosphatase (SEAP) forcomparability and precision of such estimations.We showed that this RGA generated compara-ble estimates with overall lower variation. Ad-ditionally, the SEAP conversion of p-nitrophenylphosphate to yellow product could be followedkinetically. Absorbance readings were shownto increase with time in proportion with increas-ing concentration of IFN. When the time-de-pendent increments of absorbance were plot-ted graphically, the slopes of lines correspondedto concentration. This approach enabled sin-gle dilutions of IFN samples, identical in mo-lecular structure to an IFN standard, to be usedfor potency estimates by interpolation of slopevalue against those of the standard at fixedconcentrations. It appears attractive for highthrough-put potency testing of various R&D IFNsamples, and potentially has wider applicabil-ity to other cytokine determinations.Meiosis is evolutionally conserved process,which is required to haploidize the genomeprior to spore or gamete formation. ProteinEcm11 is necessary for the proper level of sporu-lation and spore viability in the yeast Saccharo-

myces cerevisiae. It is required in early stagesof meiosis where its function is related to DNAreplication and crossing-over. From previousstudy it is known that Ecm11 interacts withprotein SUMO (Smt3) in the two-hybrid sys-tem. Damaged regulation of the SUMO systemcontributes to human tumorgenesis, abnormalinflammatory response, and neurodegenerativediseases; therefore, it is very important to un-derstand the process of sumoylation, to iden-tify the SUMO targets, and to determine thefunction of their sumoylation. In the year 2006we focused on modification of Ecm11 bySUMO. We were able to confirm the sumo-ylation of Ecm11 by coimmunoprecipitation. To

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S pomo~jo mutant smo dolo~ili specifi~nomesto sumoilacije Ecm11 na Lys5 in pokazali,da sumoilacija na Lys5 direktno uravnavadelovanje Ecm11 v mejozi. Po drugi strani pasumoilacija Ecm11 ne vpliva na vlogo proteinav vegetativnem celi~nem ciklu. S pomo~jo dvo-hibridnega sistema smo pokazali, da Ecm11interagira s SUMO ligazo Siz2, vendar Siz2 ninujno potrebna za njegovo sumoilacijo. Siz2 jeverjetno glavna SUMO ligaza za Ecm11, vendarjo ob odsotnosti lahko nadomesti druga SUMOligaza, najverjetneje Siz1.Kvasovka Saccharomyces cerevisiae je kotnajpreprostej{i evkariont uporabna tudi za{tudije biokemije {tevilnih ~love{kih bolezni.Tako smo z uporabo S. cerevisiae preu~evalidelovanje ~love{kega DNA popravljalnegamehanizma (MMR – DNA mismatch repair), kilahko ob nedelovanju privede do nastanka raka.Razvili smo kvasni model za preu~evanjevpliva polimorfizma ~love{kih MMR-genovna funkcijo MMR mehanizma v celici. S temsmo omogo~ili razlo~evanje tistih genskihrazli~ic, ki vplivajo na funkcijo MMR mehanizma,od tistih, ki na MMR-funkcijo ne vplivajo. To jepomembno za u~inkovito napoved nagnjenostik rakavemu obolenju in pravilno izbiro terapijeobolelih za rakom.V sklopu preu~evanja citokromov P450 nitasteglive Cochliobolus lunatus smo pripravili ve~mutant z uti{animi geni za razli~ne proteine injih potrdili. S preu~evanjem katalitskih zna~il-nosti benzoatne para-hidroksilaze (BPH) smodokazali, da so naravna fenolna protiglivnasredstva inhibitorji BPH. Skupaj z benzoatompove~ajo u~inek protiglivnega delovanja.Nekateri rezultati kaèjo, da je BPH pomembnane samo pri detoksifikaciji benzoata, temve~tudi omenjenih naravnih protiglivnih u~inkovin,saj je mutanta z uti{anim genom BPH v njihoviprisotnosti izkazala ve~jo inhibicijo rasti.Verjetno je katalitska funkcija BPH poleghidroksilacije {e demetilacija. Uti{ali smo tudigen za verjetno epoksidno hidrolazo in citokromP450 redukatzo (CPR2). Nobeden od omenjenih

observe biological role of sumoylation of Ecm11during meiosis we mutated predicted SUMOconsensus sites in Ecm11. Using these mutantstrains we identified a specific site of sumo-ylation in Ecm11 at Lys5 and provided evidencethat sumoylation at this site directly regulatesEcm11 function in meiosis. On the other hand,no relationship was observed between sumo-ylation of Ecm11 and its role in the vegetativecell cycle. We showed that Ecm11 interacts withSiz2 SUMO ligase in the two-hybrid system;although Siz2 is not essential for the Ecm11sumoylation. Siz2 is probably the major ligasefor Ecm11 protein, but could be replaced bysome other SUMO ligase, most probably Siz1.Yeast Saccharomyces cerevisiae is one of thesimplest eukaryote, also used for biochemicalstudies of various human diseases. Using yeastcells we studied human mismatch repair (MMR)function, which if impaired can lead tocancerogenesis. We developed a novel ap-proach for functional characterization ofhuman polymorphic MMR genes in yeastthat enables pathogenic MLH1 variants to bediscriminated from polymorphisms that haveno effect on MMR function. This is essential,not only for effective diagnosis of cancer pre-disposition, but also for choosing the appro-priate chemotherapy for cancer patients.In the scope of research of cytochromes P450of Cochliobolus lunatus several deletion mu-tants of different proteins were prepared. Fur-ther analyses of catalytic properties of benzoatepara hydoxylase (BPH) showed that naturallyoccurring phenolic antifungal substances be-have as competitive inhibitors of BPH. If thefungi were grown in the presence of phenolicantifungal substances and benzoate, increasedgrowth inhibition was observed. Some of theresults lead to the conclusion that BPH is notonly an important enzyme in detoxification ofbenzoate, but has also a role in detoxificationof natural antifungal substances. Deletion mu-tants of putative epoxide hydrolase and cyto-chrome P450 reductase 2 (CPR2) were con-structed and none of the above proteins was

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proteinov za glivo ni esencialen. Da bi ugotovilifunkcije proteinov, smo v bakteriji E. coli izraziligen za CPR2, v teku pa je kloniranje gena zaCPR1 in gena za 14-alfa demetilazo iz glive C.

lunatus. Z degenerativnimi za~etnimi oligo-nukleotidi i{~emo morebitni drugi gen za 14-alfa demetilazo. Iz cDNA sku{amo pomnoìtiin pridobiti tudi druge gene za citokrome P450z neznanimi funkcijami. Uspe{no smo izrazili{e ne opredeljeni citokrom P450 iz glive roduAspergillus, za katerega na podlagi bioinfor-macijskih analiz domnevamo, da sodeluje prihidroksilaciji steroidov. V teku je njegovafunkcijska karakterizacija. Naredili smo bioinfor-macijske analize P450-omov 36 v celoti znanihglivnih genomov in ugotovili, da obstajakorelacija med velikostjo P450-oma in {tevilomrelevantnih reduktaz. Podrobneje smo analiziralifilogenetske povezave med CPR in drugimiprisotnimi reduktazami v anotiranih glivnihgenomih.Na projektu inozitol polifosfatnih kinaz terinozitol polifosfatov, ki so pomembnidejavniki pri prenosu signalov v ̀ ivi naravi, smov letu 2006 nadaljevali z biokemijskimi instrukturnimi raziskavami encima inozitolheksakisfosfatna kinaza ter polifosfatnihderivatov inozitola, ki jih ta encim sintetizira.Uspeli smo optimizirati pogoje encimskereakcije za ~im ve~ji izkoristek nastankaproduktov, katerih strukturo smo nato preu~e-vali z uporabo prilagojenih metod ICP-MS, LC-MS in NMR. Uspeli smo de{ifrirati è ve~inoproduktov tega encima.Pri preu~evanju metabolizma cikli~nihnukleotidov, pomembnih sekundarnihsporo~evalnih molekul, smo v letu 2006uspe{no nadaljevali strukturne in biokemijskeraziskave fosfodiesteraze Rv0805 iz Mycobac-

terium tuberculosis. Rv0805 je do sedaj edinaznana fosfodiesteraza v genomu te patogenebakterije, ki razgrajuje cikli~ne nukleotide(cAMP in cGMP). Po strukturi se zelo razlikujeod evkariontskih encimov s podobnimifunkcijami. Pokazali smo, da je Rv0805 dimerenencim, v katerega aktivnem mestu sta vezana

proven essential for the fungus. Functional clon-ing of different C. lunatus genes in E. coli, suchas CPR2 (already expressed), CPR1 and 14-alfademethylase, is in progress. Attempts to find aprobable second gene with the 14-alfademethylase activity using degenerative prim-ers are going on as well as experiments foramplification of other cytochrome P450 geneswith unknown function which will be expressedin E. coli. In addition, a cytochrome P450 ofunknown function from Aspergillus sp., whichis according to bioinformatic analysis involvedin hydroxylation of steroids, was already ex-pressed and its functional characterization is inexperimental procedure. Bioinformatic analysisof cytochromes P450 from 36 fungi withsequenced genomes was performed and it wasfound that there is a correlation between thenumber of cytochromes P450 in the organismand the number of relevant reductases. Andfinally, analysis of phylogenetic correlation be-tween CPR and other reductases, with the helpof annotated fungal genomes, was completed.In 2006 we have achieved a major step for-ward in the studies of the inositol hexa-kisphosphate kinase and its products, in-ositol polyphosphates, containing enegy richpyrophosphate bonds. Enzymatic assays wereoptimized to achieve high yields of thepolyphosphorylated products, which have beenused in further studies. Using specificallyadapted methods for ICP-MS, LC-MS and NMR,we have been able to decipher the structuresof most of the energetically rich moleculeswhich are synthesized by the inositol hexa-kisphosphate kinase. Cyclic nucleotide monophosphate (cN-MP) hydrolysis in bacteria and eukaryotes isbrought about by distinct cNMP phospho-diesterases (PDEs). Since these enzymes differin amino acid sequence and properties, theyhave evolved by convergent evolution. CyclicNMP PDEs cleave cNMPs to NMPs, and theRv0805 gene product is, to date, the only iden-tifiable cNMP PDE in the genome of Mycobac-

terium tuberculosis. We have earlier shown that

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kovinska iona Fe3+ in Mn2+. Mutacijske analizeso pokazale, da sta kovini v aktivnem mestukoordinirani z evolucijsko ohranjenimi amino-kislinami, kot so aspartat, histidin in asparagin.Dolo~ili smo kristalno strukturo kataliti~nedomene encima Rv0805, ki je soroden kalcine-urin-podobnim fosfatazam. Iz kristalnestrukture je razvidno, da sta ravno kovinska ionav aktivnem mestu pomembna za dimerizacijoproteina in tako igrata tako strukturno kotkataliti~no vlogo. Dolo~ili smo tudi kristalnostrukturo dveh mutant Rv0805, mutanteAsn97Ala, kjer je mutirana aminokilsina, kikoordinira Mn2+, ter mutante Asp66Ala, kizaradi te mutacije izgubi kataliti~no aktivnostza naravni substrat cAMP. Obe strukturipomembno prispevata k bolj{emu razumevanjukataliti~nih lastnosti tega encima. V aktivnemmestu strukture divjega tipa Rv0805 je v bliìnikovinskih ionov vezan fosfatni ion, v primerumutante Asp66Ala pa je na tem mestu vezankakodilatni ion. Unikatno vezavno mesto sub-strata v aktivnem mestu Rv0805 smo dolo~ili spomo~jo ra~unalni{kih simulacij in tako odkrilipotencialno vlogo His140 pri vezavi cAMP, karsmo kasneje tudi prikazali z mutacijsko analizo.Tako ta prva opisana kristalna strukturabakterijske fosfodiesteraze, ki razgrajuje cikli~nenukleotide, znatno prispeva k bolj{emurazumevanju hidrolize cAMP s tipom fosfod-iesteraz razreda III, v katerega spada tudiRv0805.Od junija 2006 te~e v okviru Ciljnega razisko-valnega programa »Znanje za varnost in mir«projekt z naslovom »Rekombinantno cepivoproti aviarni influenci«. Namen projekta jeuporabiti metilotrofno kvasovko Pichia pastoris

kot gostiteljski sistem za izraànje pla{~nihproteinov virusa aviarne influence, proteineizolirati in uporabiti za imunizacijo pi{~ancev.V prvi stopnji smo pripravili seve kvasovke Pichia

pastoris z razli~nimi genskimi konstrukti indokazali izraànje rekombinantnih virusnihproteinov.

Rv0805 is a cAMP/cGMP dual specificity PDE,and is unrelated in amino acid sequence to themammalian cNMP PDEs. Rv0805 is a dimeric,Fe3+-Mn2+ binuclear PDE, and mutational analy-sis demonstrated that the active site metals areco-ordinated by conserved aspartate, histidineand asparagine residues. We determined thecrystal structure of the catalytic core of Rv0805which is distantly related to the calcineurin-likephosphatases. The structure of the Rv0805dimer shows that the active site metals con-tribute to dimerization and thus play an addi-tional structural role apart from their involve-ment in catalysis. We also solved the crystalstructures of the Asn97Ala mutant protein thatlacks one of the Mn2+ co-ordinating residuesas well as the Asp66Ala mutant that has a com-promised cAMP hydrolytic activity, providing astructural basis for the catalytic properties ofthese mutant proteins. A molecule of phos-phate is bound in a bidentate manner at theactive site of the Rv0805 wild-type protein, andcacodylate occupies a similar position in thecrystal structure of the Asp66Ala mutant pro-tein. A unique substrate binding pocket inRv0805 was identified by computational dock-ing studies, and the role of the His140 residuein interacting with cAMP was validated throughmutational analysis. This report on the firststructure of a bacterial cNMP PDE thus signifi-cantly extends our molecular understanding ofcAMP hydrolysis in class III PDEs.In June 2006 we started a research project»Recombinant vaccine against avian flu«, whichis a part of the Target Research Programmeentitled »Knowledge for safety and peace«. Theaim of this project is to employ the methyl-otrophic yeast Pichia pastoris as the host sys-tem for expressing coat proteins of the avianinfluenza virus, to isolate the recombinant pro-teins and utilise them for immunisation of chick-ens. In the first phase, using various gene con-structs, several recombinant strains of Pichia

pastoris were created and expression of therecombinant viral proteins confirmed.

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SODELOVANJE Z INDUSTRIJO- Laboratorij zdruùje raziskovalce Kemijskega

in{tituta in Lek-a d.d., Biofarmacevtika, takoda gre za me{ano skupino, ki è vrsto letdeluje na skupnih raziskovalnih projektih.

MEDNARODNO SODELOVANJE.- FW6-2004-NMP-NI-4; IP 026723-2 NANO-

BIOPHARMACEUTICALS: Integrated FW6Project “Nanotechnology-based TargetedDrug Delivery” (V. Gaberc-Porekar, V. Menart– partnerstvo pri projektu; 2006–2009).

- MIRG-6-CT-2005-014882: EC Marie CurieInternational Reintegration Grant “StructuralStudies of Inositol poly-Phosphate Kinases”(M. Podobnik; 2005–2007).

- ICGEB CSA (International Centre for GeneticEngineering and Biotechnology): R. Komel –~lan Znanstvenega sveta ICGEB (CSA – Coun-cil of Scientific Advisers; drugi mandat 2007–2009).

- EC mreà odli~nosti NANOFUN-POLY (V.Menart, V. Gaberc-Porekar – ~lanstvo v mreìodli~nosti; 2004–2007).

- Indian Institute of Science, Bangalore, Indija:sodelovanje s prof. Sandhya Visweswariah naprojektu “Strukturne {tudije cAMP-fosfo-diesteraze iz M.tuberculosis” (M. Podobnik).

- Johns Hopkins University Medical School,Baltimore, USA: sodelovanje z dr. RashinaBhandari iz laboratorija prof. SolomonaSnyderja na projektu “Strukturne raziskaveinozitol polifosfatnih kinaz” (M. Podobnik).

POMEMBNEJ[I INSTRUMENTI IN DRUGAOPREMA- Laboratorij za gensko tehnologijo,

- laboratorij za izolacijo, ~i{~enje in karakte-rizacijo (rekombinantnih) proteinov,

- laboratorij za celi~ne kulture,

- mikrobiolo{ki laboratorij,

- laboratorij z bioreaktorji.

Vsi omenjeni laboratoriji so ustrezno opremljeni

COLLABORATION WITH INDUSTRY- Laboratory L11 represents a research group

composed of researchers from the NationalInstitute of Chemistry (NIC) and the Pharma-ceutical Company Lek, d.d., Biopharmace-uticals, Slovenia, which work together onselected research projects.

- MIRG-6-CT-2005-014882: EC Marie CurieInternational Reintegration Grant “StructuralStudies of Inositol poly-Phosphate Kinases”(M. Podobnik; 2005 - 2007).

INTERNATIONAL COLLABORATION- FW6-2004-NMP-NI-4; IP 026723-2 NANO-

BIOPHARMACEUTICALS: Integrated FW6Project “Nanotechnology-based TargetedDrug Delivery” (V. Gaberc-Porekar, V. Menart– project partnership; 2005/06 - 2008/09).

- MIRG-6-CT-2005-014882: EC Marie CurieInternational Reintegration Grant “StructuralStudies of Inositol poly-Phosphate Kinases”(M. Podobnik; 2005 - 2007).

- ICGEB CSA (International Centre for GeneticEngineering and Biotechnology): R.Komel –CSA Member (CSA – ICGEB Council of Sci-entific Advisers; 1st mandate, 2004 - 2007).

- EC Nettwork of Excellence NANOFUN-POLY(V. Menart, V. Gaberc-Porekar – membershipin; 2004 - 2007).

- Indian Institute of Science, Bangalore, Indija:collaboration with Prof. Sandhya Viswes-wariah; project “Structural Studies of cAMP-phosphodisterase from M.tuberculosis” (M.Podobnik).

- Johns Hopkins University Medical School,Baltimore, U.S.A.: collaboration with Dr.Rashina Bhandari from the laboratory of Prof.Solomon Snyder on the “Structural studiesof inositol poly-phosphate kinases” project(M. Podobnik).

IMPORTANT INSTRUMENTS AND OTHEREQUIPMENT- Laboratory for gene technology

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za izvajanje navedenih projektov, kot pomem-bnej{e pa posebej navajamo naslednjo opremo:- preto~ni citometer z mo`nostjo sortiranja

celic (Beckman Coulter),

- fluorescen~ni mikroskop (Zeiss ) s sistemomza slikanje,

- stereo mikroskop (Nikon),

- fluorimeter (PTI),

- 2 UV/VIS spektrofotometra (Agilent, Hewlett-Packard),

- Chirascan CD Spectrometer (Applied Photo-physics, konzorcij),

- Dynamic Light Scattering Detector (DynaPro),

- ProExpress Imaging System za denzito-metri~no obdelavo (Perkin Elmer),

- Isothermal Titration Calorimeter (MicroCal,konzorcij),

- 4 preparativni sistemi za kromatografskeseparacije proteinov (Amersham Biosciences,Knauer),

- 1 analitski HPLC sistem (Waters),

- 2 ra~unalni{ko vodena laboratorijska bioreak-torja (Applikon),

- 2 sistema za pripravo Milli-Q vode (Millipore),

- hladilne kapacitete +40C, -200C in -700C,

- 4 stresalniki,

- sklop aparatur za pomnoèvanje in sekven~noanalizo DNA,

- sistem za dokumentacijo gelov (Chemi Doc,BIO-RAD).

- Laboratory for isolation, purification andcharacterisation of (recombinant) proteins

- Laboratory for cell cultures

- Laboratory for microbiology

- Laboratory with bio-reactors

Laboratories are equipped with modern instru-ments for the realization of the above men-tioned projects. This is a list of more significantinstruments:- Flow cytometer with cell sorter (Beckman

Coulter)

- Fluorescence microscope with CD camera(Zeiss)

- Stereo microscope (Nikon)

- Fluorimeter (PTI)

- 2 UV/VIS spectrophotometers (Agilent,Hewlett-Packard)

- Chirascan CD Spectrometer (Applied Photo-physics, consortium)

- Dynamic Light Scattering Detector (DynaPro)

- ProExpress Imaging System for densitometricanalysis (Perkin Elmer)

- Isothermal Titration Calorimeter (MicroCal)

- 4 preparative HPLC systems for protein sepa-rations (Amersham Biosciences, Knauer)

- Analytical HPLC system (Waters)

- 2 computer assisted laboratory bio-reactors(Applikon)

- 2 systems for Milli-Q water (Millipore)

- Cooling and freezing capacities (+40C, -200Cand –700C)

- Gel documentation system (Chemi-Doc, BIO-RAD)

- Shakers and Incubators

- Set of instruments for PCR and DNA sequenceanalysis.

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149

Laboratorij za biotehnologijoLaboratory of Biotechnology

L12Laboratorij za biotehnologijo

Laboratory of Biotechnology

VODJA / HEADProf. dr. Roman Jerala

RAZISKOVALCI / RESEARCHERSdr. Mojca Ben~inadr. Joèfa Friedrichdr. Helena Gradi{arprof. dr. Nina Gunde-Cimermandr. Katarina Jernejcprof. Dr. Matic Legi{adr. Andreja Majerledr. Mateja Man~ek Keberdr. Primo` Pristov{ek

MLADI RAZISKOVALCI /YOUNG RESEARCHERSTanja BagarLorena ButinarIva Hafner Bratkovi~Jernej Ga{per{i~Bo{tjan JapeljTina [olarMartina Mohor~i~Gabrijela PanterNina PirherNu{a ResmanMireille TreebyAleksandra UsenikJoìca Va{lMojca ZelnikarMateja Zorko

TEHNI^NO OSEBJE / TECHNICAL STAFFRobert Brem{akDarja OvenIrena [kraba

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PODRO^JA DEJAVNOSTIRaziskave v laboratoriju so usmerjene v raziskavebiolo{kih procesov, kot sta prepoznavanjebiolo{kih makromolekul in prenos signalov vcelicah in imajo potencialno uporabnost(predvsem biotehnolo{ko, medicinsko, farma-cevtsko). Pri tem uporabljamo moderne metodebiokemije, molekularne biologije, mikrobiologijein biofizike.Raziskave s podro~ja medicine se nana{ajo namolekularne mehanizme sepse, konformacijskihbolezni in strukture amiloidov in delovanjaantimikrobnih u~inkovin. Zanimajo nas meha-nizmi prepoznavanja in biolo{ke aktivnosti namolekularni ravni, zlasti molekulskih vzorcev,zna~ilnih za patogene mikroorganizme (PAMP),zato uporabljamo instrumentalne metode zvisoko lo~ljivostjo in ob~utljivostjo, kot stajedrska magnetna resonanca (NMR) in fluo-rescen~na spektroskopija. Raziskave vklju~ujejo{tudij fiziologije mikroorganizmov, ki izlo~ajoencime, organske kisline, antibiotike in drugezdravilne u~inkovine kot tudi rekombinantneproteine. Laboratorij vzdrùje mikrobiolo{kozbirko (MZKI), v kateri hranimo ve~ kot 3000

RESEARCH ACTIVITIESActivity at the department is oriented towardsresearch of the biochemical processes, particu-larly molecular recognition and signal transduc-tion, and towards the application of modernbiochemical, biotechnological, microbiological,biophysical and molecular biological methodsto problems, which have potential industrialapplication in fields such as medicine, pharmacyor biotechnology.Research topics with application in medicineare molecular mechanisms of sepsis, conforma-tional diseases and antimicrobial activity of(lipo)peptides. We are interested in the mecha-nism of recognition of pathogen associatedmolecular patterns (PAMPs) at the molecularlevel where we are employing methods withhigh resolution such as nuclear magnetic reso-nance and fluorescence spectroscopy. Researchinterests include study of metabolic regulationin microorganisms, which are able to excrete anumber of useful bioproducts, such as enzymes,organic acids, antibiotics and other pharma-ceuticals, as well as recombinant proteins. De-partment hosts the Microbial Culture Collec-

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sevov mikroorganizmov, predvsem ekstremo-filnih gliv in jo redno dopolnjujemo z novimiizolati.

BIBLIOGRAFIJA7 izvirnih znanstvenih ~lankov1 strokovni ~lanek1 poljudni ~lanek1 polemika, diskusija, prispevek1 intervju1 priro~nik, slovar, leksikon, atlas, zemljevid1 objavljeni znanstveni prispevek na


prispevkov na konferencah1 objavljeni povzetek strokovnega prispevka

na konferenci3 patentne prijave7 predavanj na tujih univerzah3 prispevki na konferencah brez natisa1 vabljeno predavanje na konferenci brez

natisa1 elaborat, pred{tudija, {tudija2 diplomi1 magisterij

GLAVNI DOSE@KI V LETU 2006V letu 2006 smo, skupaj s partnerji v konzorciju,pridobili in za~eli uporabljati laserski fluo-rescen~ni konfokalni mikroskop Leica DMI-3000B, ki bo omogo~il upodabljanje ìvih celic,vklju~no z izraènimi fluorescen~nimi proteini.Ugotovili smo, da katehini iz zelenega ~aja,predvsem EGCG, inhibirajo bakterijsko girazo,kar je najbr` podlaga antimikrobnega delovanjazelenega ~aja. Ugotovili smo, da se katehiniveèjo na enako mesto kot ATP, kjer z njimtekmujejo za vezavo na encim. S pomo~jo NMRspektroskopije visoke lo~ljivosti smo ugotovilivezalno mesto EGCG na N-terminalnemfragmentu giraze B, kar predstavlja osnovo zana~rtovanje novih u~inkovin z manj{imistranskimi u~inki, saj je zeleni ~aj è tiso~letjaprisoten v ~love{ki prehrani. Rezultate smoobjavili v vodilni reviji na podro~ju kemije zdravilin naleteli na velik odziv v javnosti. Tako so o

tion, with more than 3,000 different strains,with emphasis on extremophiles, which is regu-larly expanded by new species isolated fromtheir natural environment.

BIBLIOGRAPHY7 Original Scientific Articles1 Professional Article1 Popular Article1 Polemic, Discussion1 Interview1 Manual, Dictionary, Lexicon, Atlas, Map1 Published Scientific Conference Contribu-



Contribution Abstract3 Patent Applications7 Invited Lectures at Foreign Universities3 Unpublished Conference Contributions1 Unpublished Invited Conference Lecture1 Treatise, Preliminary Study, Study2 Undergraduate Theses1 Master’s Thesis

MAIN ACHIEVEMENTS IN 2006In 2006 we and our partners in the consortiumacquired a laser fluorescent confocal micro-scope Leica DMI3000B and set it up in our Labo-ratory. The microscope will allow us imagingof living cells expressing fluorescent proteins.Among the scientific achievements we canmention the discovery that catechins fromgreen tea, especially EGCG, inhibit the activityof bacterial gyrase, which probably contributesto the antimicrobial activity of green tea. Wediscovered that catechins bind to the same siteas ATP where they compete for the binding tothe enzyme. By means of high resolution NMRspectroscopy we have determined the bindingsite of EGCG at the N-terminal fragment ofgyrase B, which may represent the basis fordesigning antimicrobial drugs with less sideeffects, since green tea has been used in hu-man nutrition for millennia. We published the

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delu poro~ali na ve~ deset spletnih straneh povsem svetu, z avtorji dela je bil tudi objavljenintervju v dnevnih ~asopisih in na radiu.Na podro~ju raziskav nevtralizacije bakterijskegaendotoksina in antimikrobnih peptidov smodolo~ili prostorske strukture ve~ (lipo)peptidovv okolju membranskih mimetikov. S tem smougotovili osnovo za izbolj{anje antimikrobneaktivnosti peptidov preko acilacije. Delo je bilonadaljevanje sicer zaklju~enega EU projektaANEPID. Del rezultatov projekta smo prijavili kotpatent v Avstriji, nekaj rezultatov smo objavili v~lanku v reviji J.Am.Chem.Soc., ki je bil sprejetv tisk konec leta 2006.Velik del raziskav v laboratoriju je potekal napodro~ju imunskega prepoznavanja bakterijskihinfekcij. Te raziskave bodo omogo~ile iden-tifikacijo in razvoj inhibitorjev, ki bi prepre~evalipretiran odziv na infekcijo ter na nekaterakroni~na vnetja, pri katerih sodelujejo receptorjidruìne Toll. Ugotovili smo, da se spojina bisANSveè na vezalno mesto bakterijskega endo-toksina, kar kaè na enostaven strukturni vzorec,ki ga prepoznava receptor MD-2. Prav ta pro-tein smo raziskovali kot tar~o za inhibicijo. Vsodelovanju z raziskovalci z Univerze v Iowi(ZDA) smo analizirali vpliv mutacij MD-2 navezavo LPS, kar nam bo omogo~ilo razumevanjerazlik odziva mi{jega in ~love{kega receptorja. V letu 2006 smo raziskovali mehanizem indiagnostiko prionskih bolezni, predvsem vpovezavi z EU projektom TSEUR. Tako smougotovili selektivno vezavo kurkumina naprionski protein s spremenjeno konformacijo.Kurkumin namre~ prepre~uje pretvorbo in vitro

ter v celi~nih linijah, pokazali pa so tudi njegovou~inkovitost na modelu Alzheimerjeve bolezni.S pomo~jo spektroskopskih tehnik smo ugotovilijakost vezave ter posredno tudi ultrastrukturoprionskih fibril.Razvili smo novo metodo za stereospecifi~noasignacijo resonanc v NMR spektrih na osnovitridimenzionalne strukture oz. modela in NMRspektrov. Sodelovali smo pri dolo~itvi strukturekompleksa med citokromom c in oksidazo.S pomo~jo novega konfokalnega mikroskopa

results in the leading journal in the field ofmedicinal chemistry and our results were wel-comed by a significant public response. Therewere reports about this research on numerousweb pages, interviews with the authors havebeen published in daily newspapers and broad-casted by the radio.In the area of neutralisation of bacterial endo-toxin and antimicrobial peptide research wehave determined the spatial structures of sev-eral (lipo)peptides in the membrane mimeticenvironment. In such a way we found out thebasis for the improvement of antimicrobial ac-tivity of peptides through acylation. This re-search was a continuation of an already fin-ished EU project ANEPID. A patent applicationhas been filled-in in Austria; and additional re-sults were accepted for publication in the J. Am.Chem. Soc. at the end of 2006.A great deal of the research in our Laboratoryrepresented the investigation of the molecularmechanism of immunological recognition ofbacterial infections. These investigations willenable identification and development of in-hibitors that will prevent exaggerated reactionto the infection and to chronic inflammationinvolving Toll-like family receptors. We discov-ered that the compound bisANS binds to thesame binding site as bacterial endotoxin, whichindicates a simple structural pattern that is rec-ognised by the receptor MD-2. We specificallystudied this protein as the target for inhibition.In cooperation with researchers from the Uni-versity in Iowa (USA) we analysed the effect ofmutations of MD-2 on the binding of LPS which,will enable us to understand the differences inthe responses between murine and humanreceptors.In 2006 we also studied mechanism and diag-nostics of prion diseases, mainly in connectionwith the EU project TSEUR. We found a selec-tive binding of curcumin to a prion protein witha changed conformation. Curcumin preventstransformation in vitro as well as in neuroblas-toma cell lines, additionally its effectiveness was

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smo uspeli upodobiti znotrajceli~ne vrednostipH gliv, tako da smo uporabili inovativengenetsko kodirani pH biosenzor, ki temelji nazelenem fluorescirajo~em proteinu ter znotrajceli~ni koncentraciji prostih kalcijevih ionov.Senzor za kalcij smo v povezavi z University ofEdinburgh analizirali z metodo FLIM-FRET(Förster Resonance Energy Transfer in Fluores-cence Lifetime Imaging Microscopy), ki jepotrdila mo`nost uporabe omenjenegasenzorja v glivah. Z rekombinatnim senzorjemza pH smo dolo~ili znotraj celi~no pH vrednostpri glivah in potrdili, da je uravnavanjeznotrajceli~ne vrednosti pH povezano zuravnavanjem znotrajceli~ne koncentracijekalcija, saj pri glivah z okvarjenimi kalcijevimi~rpalkami pride do dviga znotrajceli~nevrednosti pH. Pripravili smo celi~ne linije HEK,ki vsebujejo rekombinantni senzor aequorin,ki omogo~a spremljanje sprememb koncen-tracije prostih kalcijevih ionov. Spremembe vkoncentraciji kalcija spremljamo ob aktivacijisistemskega vnetnega odgovora.V preteklem letu smo v ugledni ameri{ki reviji

shown on a model of Alzheimer disease. Bymeans of spectroscopic techniques we deter-mined the strength of binding and indirectlyalso the ultrastructure of prion fibrils.We developed a new method for stereospecificassignation of resonances in the NMR spectraon the basis of a three-dimensional structureor a structural model. We participated in thestructural determination of a complex betweenthe cytochrome c and oxidase.By means of the new confocal microscope wesucceeded to determine the intracellular pH val-ues by the use of an innovative, geneticallycoded pH biosensor, which relies on the greenfluorescent protein and intracellular concentra-tion of free calcium ions. In collaboration withthe colleagues from the University of Edinburghthe sensor for calcium was analysed by amethod FLIM-FRET (Förster Resonance EnergyTransfer in Fluorescence Lifetime ImagingMicroscopy), which confirmed the possible useof the mentioned sensor in fungi. With therecombinant sensor for the pH we determinedthe intracellular pH value in fungi and confirmed

SLIKA 1:

Delo na laserskem konfokalnem fluorescen~nem

mikroskopu Leica DMI3000B

FIGURE 1:

Working on Lasers confocal microscope Leica

DMI3000B

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objavili {e en ~lanek, ki opisuje spontano post-translacijsko modifikacijo klju~nega regulato-rnega encima primarnega metabolizma 6-fosfofruktokinaze (PFK1). Dokazali smo, da imamodifikacija proteinske molekule za posledicospremembo encimske kinetike, tako da encimni ve~ ob~utljiv na inhibicijo povratne zveze,medtem ko nekateri celi~ni aktivatorji omogo-~ajo hitrej{o bio-katalizo. Sprememba encimain posledi~no nastanek aktivnega kraj{egafragmenta povzro~i neoviran pretok metabo-litov preko glikolize, dvig koncetracije intermedi-atov centralnega dela metabolizma in oja~aneanabolne reakcije, vklju~no s pove~ano sintezospecifi~nih biotehnolo{kih produktov.Na povabilo urednika tuje biotehnolo{ke revijeje dr. Legi{a v sodelovanju s tujim avtorjemnapisal pregledni ~lanek o metabolnih spre-membah med zgodnjim razvojem pri glivi A.

niger, ki pripeljejo do prekomernega izlo~anjaorganske kisline. V ~lanku je predstavljenspecifi~en pogled avtorjev na spremembe vmetabolizmu, kjer igra osrednjo vlogo predvsempost translacijska modifikacija PFK1. Da gre pritem delu za rekapitulacijo ve~letnih raziskavprvega avtorja (dr. Legi{e), pri~a tudi dejstvo,da se od 49 referenc, kolikor jih vsebujedokument, kar 9 nana{a na avtorjeve ~lanke. S namenom, da bi se izognili zapleteni posttranslacijski modifikaciji PFK1, smo pripravilimodificiran gen pfkA, ki nosi zapis za aktivenkraj{i fragment PFK1. Z vnosom gena v nekajkomercialno uporabnih mikroorganizmov smov primerjavi s star{evskimi sevi pri transfor-mantah opazili pospe{eno rast oziromapove~ano hitrost sinteze dolo~enih bioproduktov, kot so organske kisline in ekstra-celularni encimi. Uporabo modificiranega genaza dvig produktivnosti in dobitkov pri pridobi-vanju razli~nih biotehnolo{kih produktov smopatentno za{~itili. Z namenom, da bi rezultateraziskovalnega dela prenesli v prakso, smonekaterim uporabnikom ponudili prenosintelektualne lastnine, ki je zaobjeta v zgorajopisanem patentu. Trenutno potekajo pogovoris tujim biotehnolo{kim podjetjem o odprodajilicen~nih pravic.

that regulation of the intracellular pH value wasconnected to regulation of intracellular calciumconcentration since in fungi with damagedcalcium pumps the intracellular pH increased.We prepared HEK cell lines including arecombinant sensor aequorin, which enablestracing the concentration changes of the freecalcium ions.In a distinguished scientific journal we publishedanother publication, which describes the spon-taneous posttranslational modification of 6-phosphofructokinase (PFK1), the key regulationenzyme of the primary metabolism. We provedthat a modification of the protein molecule re-sulted in a change of the enzyme kinetics insuch a way that the enzyme was no longer sen-sitive to feedback inhibition by citrate, whilesome cell activators enabled faster biocatalysis.The change of the enzyme and a consequentformation of the active shorter fragment led toan unimpeded flow of metabolites through gly-colysis, increase of concentration of the inter-mediates of the central part of metabolism andthe strengthening of the anabolic reactions in-cluding the increased synthesis of specific bio-technological products. At the invitation of theeditor of a distinguished biotechnological jour-nal Dr. Legi{a in cooperation with a foreignauthor wrote a review article on the metabolicchanges during the initial development of thefungus A. niger, which led to excessive excre-tion of an organic acid. A specific authors’ viewof the metabolic changes is presented wherethe posttranslational modification of PFK1 playsthe central role. With the aim to avoid the com-plex posttranslational modification of PFK1 weprepared a modified pfkA gene encoding forthe active shorter fragment of the PFK1. By in-serting the gene into some commercially use-ful microorganisms accelerated growth and/orsynthesis of certain products has been noticedin transformants, such as accumulation of or-ganic acids and excretion of extracellular en-zymes in respect to the parent strains. The useof the modified gene for increased productiv-ity and yields in the production of different bio-

155


SODELOVANJE Z INDUSTRIJSKIMI INDRUGIMI PARTNERJI- Lek d.d., Ljubljana: raziskave na podro~ju

biotehnologije ter razvoja novih zdravil

- BIA Separations d.o.o, Ljubljana, dva skupnaprojekta

- KIMI d.o.o., Trzin

MEDNARODNO SODELOVANJEV mednarodnih projektih:- dva evropska projekta v okviru 6. okvirnega

programa: Eurofungbase in TSEUR

- bilateralno sodelovanje s Hrva{ko, ZDA,Indijo, Francijo in Argentino

- COST projekt D25: »Applied biocatalysis:Stereoslective and environmentally-friendlyreactions catalysed by enzymes«

Pogodbe s podjetji v tujini:- Colgate Palmolive, ZDA

- DSM Food Specialists, Nizozemska

- LVMH, Christian Dior Parfums, Francija

- IEP GmbH, Germany

Neformalno sodelovanje z drugimi znanstve-nimi ustanovami po svetu:- University of Sussex, UK

- University of Strathclyde, Glasgow, [kotska

- The University of Edinburgh, Edinburgh,[kotska

- Technische Universität Graz, Avstrija

- Universidad de Navarra, Pamplona, [panija

- Indian Institute of Science, Bangalore, Indija

POMEMBNI IN[TRUMENTI IN OPREMA- Preto~ni citometer s sorterjem EPICS®

ALTRA™, Beckman Coulter,

- laserski konfokalni fluorescen~ni mikroskopLeica DMI3000B,

- CD spektrometer Chirascan, Applied Photo-physics,

- UV/VIS spektrometer, Perkin Elmer Lambda25,

technological products was protected by a pat-ent. With the aim to transfer the research re-sults into practice we offered the intellectualproperty rights to some beneficiaries. At themoment, we are having discussions with a bio-technological company for licensing out the IPrights.

COLLABORATION WITH INDUSTRIAL ANDOTHER PARTNERS- Lek, d.d., Ljubljana, Slovenia: research of fun-

gal metabolism and molecular biology ofStreptomycetes

- BIA Separations d.o.o, Ljubljana, Slovenia:two joint projects

- KIMI d.o.o., Trzin, Slovenia

INTERNATIONAL COLLABORATIONInternational projects:- Two projects within the 6th Framework Pro-

gram: Eurofungbase and TSEUR

- Bilateral projects with USA, France, India,Croatia and Argentina

- COST project D25: “Applied biocatalysis:Stereoslective and environmentally-friendlyreactions catalysed by enzymes”

Contracts with companies abroad:- Colgate Palmolive, USA

- DSM Food Specialists, The Netherlands

- LVMH, Christian Dior Parfums, France

- IEP GmbH, Germany

Informal collaboration with other research in-stitutions:- University of Sussex, UK

- University of Strathclyde, Glasgow, UK

- The University of Edinburgh, Edinburgh, UK

- Technische Universität Graz, Austria

- Universidad de Navarra, Pamplona, Spain

- Indian institute of Science, Bangalore, India

156


- fluorescen~ni luminometer, Perkin Elmer LS-55,

- luminometer/fluorimeter za mikrotitrskeplo{~e z injektorjem, Mitras,

- grafi~na postaja Silicon Graphics Fuel sprogramsko opremo za NMR, molekularnomodeliranje in SAR,

- bioreaktorji: Infors,

- FIA (flow injection analyser),

- HPLC in drugi kromatografski instrumenti,

- sistem za 2D elektroforezo s programskoopremo (Melanie),

- laboratorij za delo z mikroorganizmi,

- laboratorij za delo s celi~nimi kulturami.

IZOBRA@EVANJE IN OBISKI / GOSTOVANJA- Pet sodelavcev L12 je habilitiranih za

sodelovanje pri do- in podiplomskem {tudijuUniverze v Ljubljani.

- Opravljeni sta bili dve diplomski deli in enomagistrsko delo.

- Gostovanje podiplomskega {tudenta GoranaMiklu{evi~a iz Hrva{ke in podiplomske{tudentke Kirsten Altenbach iz VelikeBritanije.

ODMEVEN DOSE@EK V MEDIJIHRaziskovalci Laboratorija za biotehnologijo sov sodelovanju z doc. Dolinarjem s Fakultete zakemijo in kemijsko tehnologijo, Univerze vLjubljani organizirali sodelovanje {tudentskeekipe na tekmovanju iGEM (international Ge-netically Engineered Machines). V okviru tegasodelovanja {tudentske ekipe med po~itnicamiv nekaj mesecih pripravijo raziskovalni projekts podro~ja sintezne biologije. Na izboru ~lanovekipe smo izbrali sedem {tudentov mikro-biologije in biokemije. Pri izvedbi projekta sokot mentorji sodelovali {tirje raziskovalciLaboratorija za biotehnologijo Kemijskegain{tituta, dejansko pa je pri delu pomagaloveliko {tevilo ~lanov laboratorija. Projekt je bil

MAJOR EQUIPMENT- The EPICS® ALTRA™ Flow Cytometer,

Beckman Coulter

- Lasers confocal microscope Leica DMI3000B

- CD spectrometer Chirascan, Applied Photo-physics

- UV/VIS spectrometer, Perkin Elmer Lambda25

- Fluorescence luminometer PerkinElmer LS-55

- Microplate luminometer/fluorimeter with in-jectors

- Graphical workstation Silicon Graphics Fuelwith software for NMR, molecular modelingand SAR analysis

- Bioreactors: Infors

- FIA (Flow Injection Analyser)

- HPLCs

- System for 2D gel electrophoresis with soft-ware for data evaluation (Melanie)

- Laboratories for microbiology and cell culture

EDUCATION AND IMPORTANT VISITS- Five members of the Laboratory of Biotech-

nology participate as lecturers or demonstra-tors at the under- and postgraduate level atthe University of Ljubljana, Slovenia.

- Two BSc projects and one MSc project per-formed at the department have been de-fended in 2006.

- Research visits of PhD students GoranMiklu{evi~ from Croatia and Kirsten Altenbachfrom United Kingdom.

ACHIEVEMENT NOTED IN THE MEDIAResearchers of the Laboratory of Biotechnologyin cooperation with Asst. Prof. Marko Dolinarfrom the Faculty of Chemistry and ChemicalTechnology, University of Ljubljana, organizedthe participation of a student team fromSlovenia at the international competition iGEM(international Genetically Engineered Machines)in the frame of which student teams worked

157


usmerjen v spreminjanje lastnosti odziva celicna bakterijsko infekcijo. Projekt je bil s podro~jaraziskav L12, to je celi~ne signalizacijebakterijske infekcije. V projektu so v kaskadoceli~ne signalizacije vgradili povratno zanko,preko katere so inhibirali pretiran celi~ni odzivs pomo~jo dominantno negativne mutanteklju~nega adapterja v signalizaciji MyD88(predstavitev projekta se nahaja na spletni stranihttp://parts2.mit.edu/wiki/index.php/Ljubljana%2C_Slovenia_2006).Tekmovanje na univerzi MIT v Cambridge-u vZDA je potekalo v za~etku novembra 2006. Medsodelujo~imi ekipami so bile skupine z najugled-nej{ih svetovnih univerz in in{titutov, kot so:Berkeley, Princeton, Caltech, Harvard, Massa-chusetts Institute of Technology (MIT), UCSF,Imperial College London, Cambridge in ETHZürich. Med 34 univerzitetnimi ekipami na iGEM2006 jih je bilo 25 s seznama najbolj{ih 100univerz na svetu (kitajski seznam Top500), odteh jih je bilo 13 celo izmed prvih 50. Slovenskaekipa je nastopila v konkurenci z ekipami {tirihizmed najbolj{ih pet univerz na svetu (Harvard,Cambridge, Berkeley, MIT; manjkal je samo

on a research project in the field of syntheticbiology during their holidays. Out of many can-didates seven students of microbiology or bio-chemistry were finally selected.Four researchers from the Laboratory of Bio-technology at NIC were involved as mentors,but in fact many members of the lab helped inthe project. The focus of the project was tomodify the characteristics of cellular responseto bacterial infection. This fits within the re-search topic of our lab in the area of cell sig-nalling to bacterial infection. Within the projecta feedback loop with a dominant negative in-hibitor under the control of NF-KB promotorwas incorporated into the cell signalling cas-cade and through this loop an excessive cellresponse was inhibited by means of a domi-nant negative mutant of the key adapter in sig-nalisation MyD88 (presentation of the projectis available at:http://parts2.mit.edu/wiki/index.phpLjubljana%2C_Slovenia_2006).The competition took place at MIT in Cam-bridge, USA at the beginning of November2006. Among the participating teams there

SLIKA 2:

Zmagovalna slovenska ekipa na tekmovanju iGEM na

MIT, v kateri so sodelovali mentorji iz Laboratorija za

biotehnologijo Kemijskega in{tituta (sredina – zelene

majice) skupaj z ekipama finalistov Imperial college

(levo) in Princetona (desno).

FIGURE 2:

Victorious Slovenian team at the iGEM competition

where the researchers from the Laboratory of Bio-

technology at NIC were involved as mentors (centre

– green T-shirts) together with the other two finalist

teams from the Imperial College (left) and Princeton

(right).

158


Stanford, ki je na tretjem mestu). V konkurenciekip najbolj{ih svetovnih univerz se je na{a ekipanajprej uvrstila v finale, skupaj z ekipama univerzPrinceton ter Imperial College. Vsi finalisti so {eenkrat predstavili svoje projekte vsem sodelu-jo~im s 35 univerz s celega sveta. Po odlo~itvisodnikov je ljubljanska ekipa zasedla prvomesto. Poleg najbolj cenjene skupne prvenagrade (Grand Prize) je ekipa osvojila {e dvedrugi in eno tretje mesto v posameznihkategorijah. Projekt je vklju~eval tudi ra~unal-ni{ko simulacijo spremenjenega delovanjaceli~nih procesov, saj gre za medsebojnodelovanje velikega {tevila celi~nih sestavin terpovratnih zank. Projekt, ki si ga je po temeljitemrazmisleku ekipa izbrala, je glede na dosedanjeteme na tekmovanjih iGEM dokaj zahteven,zato so z delom na projektu, katerega rezultateso predstavili na novembrskem sre~anjutekmovalnih ekip, za~eli ̀ e maja. Doslej so ekipenamre~ uporabljale preprostej{e organizme(bakterije in kvasovke), dela z gojenimisesalskimi celicami pa se doslej ni lotila {enobena ekipa.Rezultati tekmovanja so bili dele`ni izjemnegaodziva predvsem v tujini, o uspehu je poro~alarevija Nature, najve~je svetovne agencije spodro~ja znanosti, v Sloveniji pa v ~lankih vdnevnih ~asopisih, v radijskih ter televizijskiintervjujih. Predstavitev projekta na tekmovanjuje dostopna na svetovnem spletu v oblikivideoposnetka: http://www.igem2006.com/presentations.htm.

were groups from the most prominent univer-sities and institutes worldwide, such as Berkeley,Princeton, Caltech, Harvard, MIT, UCSF, Impe-rial College London, Cambridge, ETH …. In thecompetition our team first got into the final,together with the teams from the universitiesPrinceton and Imperial College. All the finalistshad to present their projects once again to allof the participants. According to the decisionof the judges the Slovenian team won the firstplace. In addition to the most esteemed GrandPrize our team also won two second and onethird place in separate categories. The projectincluded also a computer simulation cell sig-nalling. In comparison to the previous projectsat iGEM competitions our project was relativelydemanding. In previous years the teams workedwith simple unicellular organisms (bacteria andyeasts), while none worked with cultured mam-malian cells.The results of the competition met with a sig-nificant response, especially abroad. Successwas reported in the journal Nature, by worldnews agencies in the field of science, in Sloveniathere were articles in daily newspapers, and in-terviews on radio and TV. The project presenta-tion at the meeting is available on the Internetin a form of the video at the page: http://www.igem2006.com/presentations.htm

159

Laboratorij za katalizo in reakcijsko inènirstvoLaboratory for Catalysis and Chemical Reaction Engineering

L13Laboratorij za katalizo inreakcijsko inènirstvo

Laboratory for Catalysis andChemical Reaction Engineering

VODJA / HEADAkademik prof. dr. Janez Levec

RAZISKOVALCI / RESEARCHERSDr. Jurkica BatistaDr. Gorazd Ber~i~Dr. Stanko Ho~evarDr. Henrik Ku{arDr. Albin Pintar

MLADI RAZISKOVALCI /YOUNG RESEARCHERSMatej KomelLuka Zevnik

160


PODRO^JA DEJAVNOSTI[tudij kemijskih pretvorb razli~nih izhodnihspojin v èlene produkte v homogenih inheterogenih kataliziranih ali nekataliziranihsistemih. Teoreti~na dolo~itev termodinamskihmo`nosti za potek pretvorb in eksperimentalnadolo~itev kineti~nih parametrov poteka tehpretvorb. Ker v praksi ve~ina fizikalnih inkemijskih pretvorb poteka v ve~faznih sistemih,je velik del raziskav namenjenih {tudiju interakcijkemijske kinetike s transportnimi pojavi.Raziskave potekajo s poudarkom na:- oksidaciji organskih polutantov v mem-

branskih reaktorjih,

- optimizaciji hidrodinamskih pogojev obrato-vanja eno- in ve~ cevnih membranskihkontaktorjev,

- interpretaciji eksperimentalnih meritev napodlagi matemati~nega modeliranja inoptimizacije parametrov,

- razvoju Pd-Cu bimetalnih in Pd mono-metalnih katalizatorjev, uporabljenih vintegriranem procesu za denitrifikacijopodtalnice,

RESEARCH ACTIVITIESStudy of the chemical transformation of reac-tants to desirable products in homogeneousand heterogeneous catalytic or non-catalyticsystems. Theoretical determination of thermo-dynamic possibility for certain transformationand experimental determination of kinetic pa-rameters for these transformations. In practicemost physical and chemical transformationsoccur in the multiphase systems, therefore re-search efforts are focused on the study of theinteraction between intrinsic kinetics and trans-port phenomena. The emphasys of the researchis put on:- catalytic wet oxidation of organics dissolved

in wastewater carried out in membrane re-actors;

- optimization of process hydrodynamic con-ditions in single- and multi-channel mem-brane contactors;

- interpretation of experimental data throughmathematical modelling and optimization ofparameters;

- development of Pd-Cu bimetallic and Pd

161


- kineti~nim in mehanisti~nim {tudijamheterogeno kataliziranih reakcij z in-situ FTIR/ATR metodo,

- {tudiju kinetike in mehanizmov kataliziranihreakcij v procesih proizvodnje in ~i{~enjavodika ter na~rtovanju kompaktnega proce-sorja za proizvodnjo vodika iz primarnih goriv(fosilnih in obnovljivih) za PEM gorivne celice,

- sintezi ter strukturni in elektrokemi~nikarakterizaciji novih anodnih katalizatorjev,odpornih na CO, za uporabo v PEM gorivnihcelicah,

- sintezi ter strukturni elektrokemi~ni karak-terizaciji nanokompozitnih protonsko prevod-nih polimernih membran za PEM gorivnecelice.

BIBLIOGRAFIJA6 izvirnih znanstvenih ~lankov1 samostojni znanstveni sestavek v

monografiji2 objavljena znanstvena prispevka na


prispevkov na konferencah1 patentna prijava1 predavanje na tuji univerzi2 prispevka na konferencah brez natisa2 elaborata, pred{tudiji, {tudiji1 magisterij2 uredni{tvi revij

DOSE@KI V LETU 2006- Na primeru modelne reakcije (oksidacije

vodne raztopine mravlji~ne kisline na Ptkatalizatorju, nane{enem na kerami~ni cevnimembrani) smo za {iroko obmo~je obrato-valnih pogojev razvili matemati~ni model zanapoved koncentracijskih profilov reaktantovin debelino reakcijske cone v katalitskemtrifaznem membranskem reaktorju. COBI-SS.SI-ID 3428122

- Z uporabo dveh lo~enih katalitskih reaktorjev,napolnjenih s Pd-Cu oziroma Pd katali-zatorjem, smo modificirali procesno shemo

monometallic catalysts for integrated proc-ess of underground drinking water deni-trification;

- kinetic and mechanistic studies of heteroge-neously catalyzed reactions with in situ FTIR/ATR method;

- study of kinetics and mechanisms of cata-lyzed reactions in the hydrogen productionand cleaning processes from primary fuelsources (fossil and renewable) for PEM fuelcells;

- synthesis, structural and electrochemical char-acterization of new CO-tolerant anode cata-lysts for PEM fuel cells;

- synthesis, structural and electrochemical char-acterization of proton conducting nano-composite polymer membrane for PEM fuelcells.


in a Monograph2 Published Scientific Conference Contribu-


tion Abstracts1 Patent Application1 Invited Lectures at Foreign University2 Unpublished Conference Contributions2 Treatises, Preliminary Studies, Studies1 Master’s Thesis2 Journal Editorships

RESULTS IN 2006- On the basis of catalytic wet-air oxidation of

aqueous solutions of formic acid investigatedas a model reaction over Pt-doped ceramicmembranes in a wide range of operatingconditions, a comprehensive mathematicalmodel for the prediction of both concentra-tion profiles of reactants and the thicknessof reaction zone in the catalytic membranereactor was developed. COBISS.SI-ID 34-28122

162


integriranega procesa za odstranjevanjeprese`nih mnoìn nitratnega iona iz pitnevode, s ~imer se je drasti~no zmanj{alaprodukcija amonijevega iona kot stranskegaprodukta reakcije. COBISS.SI-ID 3408410

- Dolo~ili smo kinetiko reakcije vodnega plina(water gas shift reaction, WGSR) na razli~nosintetiziranih nanostrukturnih CuxCe1-xO2-y

katalizatorjih v stacionarnih pogojih zrazli~nimi sinteti~nimi izhodnimi me{anicamiplinov, ki simulirajo sestavo plinov poreformingu primarnega goriva (metanaoziroma premoga) in pokazali, kako mo~novplivajo pogoji sinteze katalizatorjev nanjihovo strukturo in morfologijo ter posle-di~no na njihovo aktivnost in selektivnost vdani reakciji. COBISS.SI-ID 3569946.

- Objavili smo samostojno poglavje v u~beniku

- A modified process scheme of the integratedion-exchange/catalytic denitrification processfor the removal of excessive quantities of ni-trates from drinking water was proposed byintroducing separate reactor units filled withPd-Cu bimetallic and Pd monometallic cata-lysts, respectively, which drastically reducesthe production of ammonium ions as a by-product. COBISS.SI-ID 3408410

- Kinetic model of water gas shift reaction(WGSR) over a nanostructured CuxCe1-xO2-y

catalysts prepared with different methodswas determined based on measurementsunder stationary reaction conditions withsimulated reformer outlet gas mixtures (ob-tained from methane or coal). It was con-firmed that conditions for catalysts prepara-tion decisively influence on the structure and

SLIKA:

Ra~unalni{ko vodeni kontinuirni reaktorski sistem

»Microactivity Reference« za {tudij dvo- in trifaznih

katalitskih reakcij pri temperaturah do 750 stopinj

Celzija in tlakih do 100 bar (PID Eng&Tech, [panija)

FIGURE:

Computerized continuous-flow reactor system

»Microactivity Reference« for studies of two- and

three-phase catalytic reactions at temperatures up

to 750 degrees C and pressures up to 100 bar (PID

Eng&Tech, Spain)

163


(S. Ho~evar) za podiplomski {tudij katalizepod naslovom »Surface and NanomolecularCatalysis« (R. Richards, ur.), CRC Taylor &Francis, Boca Raton, FL, USA, 2006. CO-BISS.SI-ID 3486490

SODELOVANJE Z INDUSTRIJSKIMI INDRUGIMI PARTNERJI- Za Ministrstvo za obrambo RS (MORS) smo

opravili dve izvedljivostni {tudiji s podro~javodikovih tehnologij in gorivnih celic ({tev.pog. 4300-958/2006-1, nosilec: dr. GorazdBer~i~; {tev. pog. 4300-957/2006-1, nosilec:dr. Stanko Ho~evar);

- za slovensko farmacevtsko dru`bo smo izvedlievaluacije in optimizacije razli~nih indus-trijskih procesov (npr. industrijskega procesakatalitske hidrogenacije; nosilec: prof. dr.Janez Levec).

MEDNARODNO SODELOVANJE- »Polymer Electrolytes and Non Noble Metal

Electrocatalysts for High Temperature PEMFuel Cells« v okviru EU 6 FP programa »Inte-grating and Strengthening of European Re-search Area« STREP projekt NMP3-CT-2006-033228 (Akronim: APOLLON-B). Projekt trajaod 01. 10. 2006 do 01. 10. 2009, koor-dinator projekta na KI je dr. Stanko Ho~evar.

POMEMBNI IN[TRUMENTI IN OPREMA- Ra~unalni{ko voden teko~inski kromatograf

(HP),

- ve~ plinskih kromatografov s TCD in FIDdetektorjem (HP),

- analizatorja vsebnosti ogljika v teko~ih intrdnih vzorcih (Tekmar/Dohrmann),

- ve~ me{alnih {ar`nih, kapalnih in cevnihreaktorjev s strnjenim slojem opremljenih ssistemi za nadzor in zajemanje podatkov,

- 600 W sistem za testiranje gorivnih celic zra~unalni{kim vodenjem (HP VEE OneLab),

- LabMax-ReactIR 1000 me{alni {ar`ni reaktors sistemom za IR analizo reakcije v realnem~asu (Mettler Toledo),

morphology of the catlysts and consequentlyon their activity and selectivity in given reac-tion. COBISS.SI-ID 3569946

- A chapter was published (S. Ho~evar) in thebook for gradute course under the title »Sur-face and Nanomolecular Catalysis« (R.Richards, Ed.), CRC Taylor & Francis, BocaRaton, FL, USA, 2006. COBISS.SI-ID 3486490

COLLABORATION WITH COMPANIES- Two feasibility studies were performed for

MoD RS (MORS) in the field of hydrogen tech-nology and fuel cells (CT 4300-958/2006-1,PI dr. Gorazd Ber~i~; CT 4300-957/2006-1,PI dr. Stanko Ho~evar).

- For a Slovenian pharmaceutical company theindustrial scale hydrogenation process wasoptimised (PI prof. dr. Janez Levec).

INTENATIONAL COLLABORATION- »Polymer Electrolytes and Non Noble Metal

Electrocatalysts for High Temperature PEMFuel Cells« STREP Project in EU 6 FP »Inte-grating and strengthening of European Re-search Area«, NMP3-CT-2006-033228 (Ac-ronym: APOLLON-B). Project lasts from01.10.2006 to 01.10.2009; Project coordi-nator within NIC is Dr. Stanko Ho~evar.

IMPORTANT INSTRUMENTS AND EQUIP-MENT- HPLC + ChemStation (HP)

- several GCs with TCD and FID detector (HP)

- TOC analyzers in liquid and solid samples(Tekmar/Dohrmann)

- several batch CST, trickle-bed and fixed-bedlaboratory reactors with data acquisition andcontrol units

- 600 W fuel cell test station with HP VEEOneLab software-based data acquisition andcontrol unit

- LabMax-ReactIR 1000 reactor and real-timereaction analysis system (Mettler Toledo)

164


- avtomatizirani sistem za karakterizacijoheterogenih katalizatorjev (Micromeritics,model Autochem II 2920),

- masni spektrometer (Pfeiffer Vacuum, modelThermostar),

- ra~unalni{ko vodeni, kontinuirni reaktorskisistem »Microactivity Reference« za {tudij dvo-in trifaznih katalitskih reakcij pri temperaturahdo 750 stopinj Celzija in tlakih do 100 bar(PID Eng&Tech, [panija).

IZOBRA@EVANJE IN OBISKI / GOSTOVANJAV letu 2006 je bilo zaklju~eno eno magistrskodelo (M. Komel: Numeri~no dolo~evanje

parametrov prenosa toplote v strnjenih slojih,magistrsko delo, Ljubljana. ¢M. Komel¥, 2006.XVII, 128 f., ilustr. ¢COBISS.SI-ID 27747077¥,mentor prof. dr. Janez Levec).

- Automated system for heterogeneous cata-lysts characterization (Micromeritics, modelAutochem II 2920)

- Mass spectrometer (Pfeiffer Vacuum, modelThermostar)

- Computerized continuous-flow rector system»Microactivity Reference« for studies of two-and three-phase catalytic reactions at tem-peratures up to 750 degrees C and pressuresup to 100 bar (PID Eng&Tech, Spain)

EDUCATION AND IMPORTANT VISITSOne master degree thesis (M. Komel, “Numeri-cal determination of heat transfer prameters inpacked beds”: M.Sc. Thesis, Supervisor: Profes-sor Janez Levec ¢COBISS.SI-ID 27747077¥) wasconcluded in 2006.

165

Laboratorij za procesno inènirstvoLaboratory for Chemical Process Engineering

L14Laboratorij za procesno inènirstvo

Laboratory for Chemical Process Engineering

VODJA / HEADProf. dr. Viktor Grilc

RAZISKOVALCI / RESEARCHERSDr. Ljudmila Fele @ilnikMag. Muharem Husi} (tudi vodja slu`be zazdravje in varnost pri delu KI / also Officer foroccupational safety and health)

TEHNI^NO OSEBJE / TECHNICAL STAFF[pela Boì~Bojan Robi~

PRIPRAVNIKI / TRAINEESAlma Jazbin{ekmag. Andrej [onc (do / untill 30. 6. 2006)

166


PODRO^JA DEJAVNOSTIRazvoj procesov- Raziskave in razvoj tehni~no pomembnih

proizvodnih procesov, sodobnih separacijskihtehnik, postopkov za varstvo okolja v kemijskiin procesni industriji, trajnostnega indus-trijskega razvoja; modeliranje in optimiranjedelovanja posameznih procesnih elementovin naprav; odpravljanje ozkih grl procesov;izdelava tehnolo{kih podlag za nove aliinovirane procese; pove~evanje novihproizvodnih postopkov iz laboratorijskega vpilotno in polindustrijsko merilo, izvajanjepilotnih poskusov, materialno-energetskobilanciranje in modeliranje procesov.

- Merjenje izbranih fizikalno-kemijskih lastnosti~istih snovi, me{anic in materialov termodeliranje termodinamskih ravnoteìjve~faznih in ve~komponentnih sistemov v{ir{em obsegu termodinamskih pogojev(teko~e-teko~e, teko~e-parno, teko~e-trdno)za potrebe na~rtovanja teh operacij in naprav.

îste tehnologije- Razvoj in integracija preventivnih ukrepov

varstva okolja v industrijske procese; uvajanje

RESEARCH ACTIVITIESProcess research and development- research and development of new industrial

products and processes, development ofscale-up methods for chemical processes,industrial environmental protection, processsimulation and optimization

- measurement of thermodynamic properties(e.g. L-V, L-L and L-S equilibria) of various in-dustrially important multicomponent mix-tures in broad range of thermodynamic con-ditions and their modelling by means of ad-vanced statistical methods

- integration of pollution prevention and envi-ronmental protection measures in new orexisting industrial/infrastructural processes,development of reclamation processes forrecyclable components from process wastestreams

- development and implementation of meth-ods and procedures for identification, classi-fication and characterization of hazardouswastes; research and development of pre-treatment processes for difficult effluents and

167


principov ~istej{e proizvodnje v industrijskoprakso; izdelava ocen skladnosti proizvodnihprocesov z BAT tehnologijami po direktiviIPPC.

- Prepre~evanje onesnaèvanja okolja; razvojpostopkov za regeneracijo uporabnihkomponent iz odpadnih tokov; zapiranjetehnolo{kih krogov in uvajanje regene-racijskih/recikla`nih postopkov; identifikacija,karakterizacija in klasifikacija odpadkov terrazvoj postopkov obdelave in kon~negaravnanja z neogibnimi industrijskimi indrugimi odpadki.

Ekspertize in servisna dejavnost- Izdelava in revizija poro~il o vplivih proizvod-

nih in drugih procesov na okolje (pooblastiloMinistrstva za okolje in prostor RepublikeSlovenije);

- izdelava na~rtov za gospodarjenje z odpadkiin ocen odpadkov (pooblastilo Ministrstva zaokolje in prostor Republike Slovenije);

- regeneracija posebno ~istih laboratorijskih inprocesnih topil (dovoljenje Ministrstva zaokolje in prostor Republike Slovenije);

- laboratorijska / pilotna proizvodnja specialnihkemi~nih izdelkov;

- ocene in revizije razvojnih, predinvesticijskihin ekolo{kih projektov.

BIBLIOGRAFIJA3 izvirni znanstveni ~lanki1 strokovni ~lanek1 drugi ~lanek in sestavek2 objavljena strokovna prispevka na

konferencah (vabljeno predavanje)4 objavljeni znanstveni prispevki na

konferencah2 objavljena strokovna prispevka na

konferencah2 objavljena povzetka znanstvenih

prispevkov na konferencah2 kon~ni poro~ili o rezultatih raziskav4 elaborati, pred{tudije, {tudije5 izvedenskih mnenj, arbitra`nih odlo~b

hazardous wastes in order to minimize theirquantity or hazardness

- national inventories and balances of criticalenvironmental contaminants, wastes andemissions; life cycle assessment, risk assess-ment; identification and modelling of trans-port routes of selected contaminants in theenvironment, elaboration of environmentalaction programmes.

Clean Technologies- research, development and implementation

of cleaner production principles, pollutionprevention and waste minimization measuresin the existing and new industrial processes

- assessment of large industrial and environ-mental protection plants with respect to BAT-requirements, according to IPPC directive andBREF documents.

Experteese and service- environmental impact assessment studies and

reports (upon authorisation)

- waste management plans and waste assess-ment reports (upon authorisation)

- ISO 14000 and EMAS audits, environmentalimpact assessments and revisions (upon au-thorisation)

- Small scale production of specialty chemicals,reclamation of laboratory solvents from wastemixtures, neutralization of hazardous labo-ratory chemicals.

BIBLIOGRAPHY3 Original Scientific Articles1 Professional Article1 Other Article or Component Part2 Published Professional Conference

Contributions (Invited Lectures)4 Published Scientific Conference Contribu-


Contributions2 Published Scientific Conference Contribu-

tion Abstracts2 Final Research Reports

168


1 diploma1 magisterij2 uredni{tvi revij

GLAVNI DOSE@KI V LETU 2006- Podpis pogodbe in pri~etek izvajanja integri-

ranega projekta Evropske unije BIOCOUP vokviru FP6-2004-Energy 3 z naslovom: »Co-processing of upgraded bio-liquids in stand-ard refinery units« (sprejet v financiranje odleta 2006 dalje).

- Pogodba o sodelovanju s firmo Bayer Tech-nology Services Leverkusen, Nem~ija, napodro~ju visokotla~nih tehnologij za dolo-~anje termofizikalnih lastnosti materialov; vletu 2006 gradnja visokotla~ne celice zamerjenje faznih ravnoteìj. Sodelovanje zUniverzo Erlangen, Nem~ija, na podro~jutvorbe mikrodelcev v farmacevtske namenez uporabo SCF-GAS tehnike.

- Dogradnja dràvnega informacijskegasistema za podro~je odpadkov in izdelavanacionalnih bilanc in ~asovnih trendovnastajanja komunalnih, gradbenih, nene-varnih in nevarnih odpadkov, po dejavnostih,povzro~iteljih, vrstah odpadkov in na~inihravnanja.

- Sodelovanje pri izdelavi katastra nelegalnihodlagali{~ odpadkov in predloga sanacijevodozbirnih obmo~ij okoli Ljubljane. Izdelavaocene onesnaènosti zemljine s podro~jastare cinkarne v Celju zaradi sanacije.

- Sodelovanje pri izdelavi tehnolo{kih podlagza na~rtovanje in gradnjo industrijskegapostopka ~i{~enja tehni~ne fosforne kislinedo ̀ ivilske kvalitete v TKI Hrastnik; sodelovanjepri razvoju tehnolo{kega postopka pripravenatrijevega perkarbonata v Belinki Ljubljana.

- Izvajanje programa razvoja ~istih tehnologijza razli~ne kemi~ne proizvode v okviru cen-tra odli~nosti Ekolo{ke tehnologije (nosilecInstitut Joèf Stefan, Ljubljana), npr. predelavatehni~ne fosforne kisline v ~isto kislino oz.njene soli z uporabo nove generacijeekstraktantov.

4 Treatises, Preliminary Studies, Studies5 Expertises, Arbitration Decisions1 Undergraduate Thesis1 Master’s Thesis2 Journal Editorships

RESULTS IN 2006- Start of the integrated EU FP6 project

»BIOCOUP« named «Energy 3: Co-process-ing of upgraded bio-liquids in standard re-finery units«. The laboratory is engaged inidentification of optimal recovery andfractionation strategies and technologies forthe production of discrete target compoundsfrom the bio-liquids and development oftechnically and economically feasible isola-tion and fractionation technologies for tar-get oxygenate compounds.

- Construction of high pressure view-cell fordetermination of thermophysical propertiesof materials and design of related synthesisand separations (in cooperation with BayerTechnology Services, Leverkusen, Germany).Cooperation wih University of Erlangen, Ger-many.

- Participation in the design of industrial sol-vent extraction plant for producion of purephosporic acid from wet P.A. (TKI HrastnikChemical Industry, Slovenia); participation inthe research of industrial process for sodiumpercarbonate (Belinka Chemical factory,Ljubljana, Slovenia).

- Upgrade and update of the national infor-mation system on waste generation: datacollection system for municipal, industrial,construction/demolition and hazardouswastes, generated during the year 2004 inrelevant sectors and waste types accordingto NACE and EWC classification; trends areshown for the time period since 1999.

- Participation in the inventory and assessmentof illegal waste sites around the Ljubljana Cityand preparation of a related reclamationproject.

- Analysis and assessment of the contaminatedindustrial site of old zincworks at Celje.

169


- Pridobitev pooblastila Ministrstva za obramboza certificiranje izdelovalcev filtrov zakolektivno za{~ito.

SODELOVANJE Z INDUSTRIJSKIMI INDRUGIMI PARTNERJI- TKI Hrastnik d.d., Hrastnik

- Belinka – Perkemija d.o.o., Ljubljana

- Cinkarna Celje d.d., Celje

- JP Snaga, Ljubljana in JP Vodovod-kana-lizacija, Ljubljana

- Agencija RS za okolje, Ministrstvo za okoljein prostor, Ljubljana

- Regionalna razvojna agencija Celje, d.o.o.,Celje idr.

MEDNARODNO SODELOVANJEIntegrirani EU projekt BIOCOUP v okviru FP6-2004-Energy 3 z naslovom: »Co-processing ofupgraded bio-liquids in standard refinery units«.Sodelujemo v podprojektu SP4 »Production ofDiscrete Oxigenated Target Compounds« priidentifikaciji optimalnih separacijskih strategijin tehnologij ter razvoju separacijskih tehnologijza izolacijo posameznih frakcij in diskretnihkomponent.COST Action C18, Performance assessment of

- Participation in the Centre of Exellence (co-ordinator Joèf Stefan Institute, Ljubljana,Slovenia), co-funded by EU-SFD, with R&Dproject on clean technology development inthe field of selected industrial processes i.e.pure phosphoric acid/salts production, byusing an integrated extraction-adsorption-desorption process.

COLLABORATION WITH COMPANIES ANDOTHER PARTNERSPilot-plant experiments, process modelling andoptimization (non-catalytic chemical syntheses,component/phase separation, mixing etc.),pollution prevention and waste minimisationstudies for many prominent Slovene chemicalfactories and process industries.National inventories and mass balances of se-lected hazardous materials, environmental pol-lutants and wastes in order to prepare nationalaction plans in specific fields (Ministry for envi-ronment).

IMPORTANT INSTRUMENTS ANDEQUIPMENTLaboratory of 300 m2 area for pilot-scale ex-periments, equipped with large assortment of

SLIKA 1:

GC kromatogram dela piroliznega olja lesne biomase

– surovine za razne biokemikalije

FIGURE 1:

GC of pyrolysis oil fraction, obtained from wood

biomass, potential resource for basic chemicals

170


urban infrastructure services: The case of wa-ter supply, wastewater and solid waste.Sodelujemo v delovni skupini WG3 (trdniodpadki).

POMEMBNI IN[TRUMENTI IN OPREMALaboratorij za pilotne kemijske poskuse (300m2), opremljen z modularno opremo zaizvajanje reakcij in separacij najrazli~nej{ihsnovnih sistemov v pilotnem oz. polindus-trijskem merilu do velikosti reaktorjev 300 litrov;s pripadajo~o infrastrukturo, merilno-regula-cijsko opremo, ra~unalni{ko programskoopremo za na~rtovanje procesov ter analizo inobdelavo podatkov; oprema za dolo~anje faznihravnoteìj teko~ina-para, teko~ina-teko~ina inteko~ina-trdno za potrebe na~rtovanja separa-cijskih procesov, npr. destilacije, rektifikacije,ekstrakcije, absorpcije, adsorpcije, su{enja,kristalizacije ipd; programska oprema zamodeliranje in vodenje procesov (ASPEN+,PARAGON, PROCEDE ...).

IZOBRA@EVANJE IN OBISKI / GOSTOVANJAObiski:V mesecu maju 2006: obisk prof. Ralf Dohrn-a,Bayer Technology Services GmbH, Process Tech-nology, Leverkusen, Germany in predavanje naKemijskem in{titutu na temo »Thermophysical

modular units for carrying out chemical reac-tions, separations and mixing of broad rangeof systems in batch (up to 300 litres), semibatchand continuous mode of operation; supportedby corresponding infrastructure, measuring/control equipment, personal and process com-puters & software; equipment for measurementand modeling of thermodynamic equilibriumof various combination of systems (liquid-va-pour, liquid-liquid and liquid-solid), supportingdesign and calculation of basic unit operations(distillation, extraction, absorption, adsorption,drying, crystallization etc.)

EDUCATIONSupervison of student projects:1 MSc project1 BSc projectAssignments:Viktor Grilc: associate professor in chemical/environmental engineeringLjudmila Fele @ilnik: research fellow in chemi-cal engineering(both at University of Ljubljana, Slovenia, Fac-ulty for chemistry and chemical technology, lec-turing regularly or by invitation on various un-der- and postgraduate courses in chemical andenvironmental engineering).

SLIKA 2:

âsovni potek izluèvanja organskih snovi iz

stabilizata odpadnih barv po standardnem testu EA

NEN 7375. Lepo se vidi prehod iz konvekcijskega v

difuzijski reìm.

FIGURE 2:

Time profile of total organic compounds leaching

from stabilised waste according to EA NEN 7375.

Clear transition from convective to diffusional regime

can be observed.

171


Properties for Industrial Process and ProductDesign«.V mesecu aprilu: {tirinajstdnevni delovni obiskL. Fele @ilnik na Univerzi v Erlangnu, Nem~ija.Mentorstva:1 magistrsko delo in 1 diplomsko delo naUniverzi v Ljubljani.Habilitacije in dejavnosti:V. Grilc: izr. prof. za podro~je kemijskega inekolo{kega inènirstva (Fakulteta za kemijo inkemijsko tehnologijo, Univerza v Ljubljani).Pou~evanje:- Gospodarjenje z odpadnimi snovmi (Univer-

zitetni {tudij vodarstva in komunalnegainènirstva, Fakulteta za gradbeni{tvo ingeodezijo, Univerza v Ljubljani);

- Ravnanje z odpadki (Fakulteta za gradbe-ni{tvo in geodezijo, Univerza v Ljubljani –podiplomski {tudij komunalne smeri) ter

- Univerza v Ljubljani – Interdisciplinarnipodiplomski {tudij varstva okolja.

L. Fele @ilnik: znanstvena sodelavka za podro~jekemijskega inènirstva (Fakulteta za kemijo inkemijsko tehnologijo, Univerza v Ljubljani).Pou~evanje:- gostujo~a predavateljica za del predmeta

Termodifuzijske operacije (Fakulteta za kemijoin kemijsko tehnologijo, Univerza v Ljubljani).

172


173

Nacionalni center za NMR spektroskopijo visoke lo~ljivosti - lokacija KINational Centre for High Resolution NMR Spectroscopy - Location NIC

L15Nacionalni center za NMR spektroskopijovisoke lo~ljivosti - lokacija KI

National Centre for High ResolutionNMR Spectroscopy - Location NIC

VODJA / HEADDoc. dr. Janez Plavec

RAZISKOVALCI / RESEARCHERSdr. Primo` [ketdr. Christophe Thibaudeaudr. Simona Goli~ Grdadolnik (delno/partly)dr. Gregor Mali (delno/partly)

MLADI RAZISKOVALCI /YOUNG RESEARCHERSMirko CevecPeter Podbev{ek

TEHNI^NO OSEBJE / TECHNICAL STAFFAleksandar Ga}e{aDamjan MakucGregor IlcMarjeta Kebri~ (delno/partly)

174


PODRO^JA DEJAVNOSTIV program delovanja NMR centra za leto 2006so bile vklju~ene NMR meritve in raziskave zavse uporabnike, ki so le te potrebovali inuporabljali pri svojem raziskovalnem inrazvojnem delu v okviru osnovnih in aplikativnihraziskav in projektov za industrijo ali v industrijisami. NMR center upravlja Programski svet vsestavi: prof. dr. Janez Dolin{ek (Institut JoèfStefan, predsednik), dr. Darko Kocjan (Lek,namestnik predsednika), dr. Rok Zupet (Krka),prof. dr. Ven~eslav Kau~i~ (Kemijski in{titut), dr.Roman Jerala (Kemijski in{titut), prof. dr. Dani-el Kikelj (Fakulteta za farmacijo), dr. MitjaKocjan~i~ (Kmetijski in{titut Slovenije), prof. dr.Branko Stanovnik (Fakulteta za kemijo inkemijsko tehnologijo), dr. Zoran [u{teri~ (Sava)in dr. Simona Goli~ Grdadolnik (MVZT).Program dela NMR centra za leto 2006 jeobravnaval in potrdil Programski svet NMR cen-tra. V letu 2006 je delo NMR centra potekalo vokviru vsaj 55 programov in projektov. Raziskavev okviru NMR centra so v letu 2006 izvajaliraziskovalci naslednjih doma~ih institucij, ki sosoustanoviteljice in sovlagateljice nakupa

RESEARCH ACTIVITIESSlovenian NMR centre is a national facility opento academic researchers and researchers fromindustrial partners who co-financed the pur-chase of NMR spectrometers, as well as to thethird parties which require the use of high-fieldhigh resolution NMR spectroscopy in solutionor solid state in their research.The research program for 2006 comprised NMRstudies and measurements for academic insti-tutions and researchers from industrial partners.Research program of NMR centre includes dataacquisition and interpretation for those whoapply NMR in their research as part of basicand applied research projects or in industry it-self. Annual research program is discussed andapproved by the Scientific council of NMR cen-tre. Current members of the scientific councilare: Prof. Dr. Janez Dolin{ek (Institut JoèfStefan, president), Dr. Darko Kocjan (Lek d.d.,Ljubljana, Slovenia, vice president), Dr. RokZupet (Krka d.d., Novo mesto, Slovenia), Prof.Dr. Ven~eslav Kau~i~ (National Institute ofChemistry), Prof. Dr. Roman Jerala (NationalInstitute of Chemistry), Prof. Dr. Daniel Kikelj

175


instrumentov NMR centra: Kemijski in{titut,Institut Joèf Stefan, Fakulteta za farmacijo inFakulteta za kemijo in kemijsko tehnologijoUniverza v Ljubljani ter Kmetijski in{titutSlovenije. V zadnjih nekaj letih smo sodelovanjeNMR centra na Kemijskem in{titutu raz{irili nauporabnike iz Narodne in univerzitetne knji`niceLjubljana, In{tituta za hmeljarstvo in pivovarstvoSlovenije, Naravoslovno-tehni~ne, Biotehni{kein Medicinske fakultete Univerze v Ljubljani terPolitehnike iz Nove Gorice. Instrumenti so narazpolago vsem ustanovam in podjetjem, ki jihpotrebujejo pri svojem delu. Podjetja Lek, Krkain Helios jih kot sovlagatelji pri nakupu osnovneopreme NMR centra uporabljajo pri rutinskianalitiki in v okviru svojega raziskovalnorazvojnega dela. V letu 2006 so instrumente vokviru NMR centra na Kemijskem in{titutuuporabljali tudi raziskovalci iz podjetij Fenolitin Kimi ter iz JRC IRMM.Raziskave v NMR centru so obsegale:- {tudij strukture oligomernih fragmentov

nukleinskih kislin ter konformacijskih spre-memb gradnikov DNK ob interakciji skovinskimi ioni,

- {tudij strukture in dinamike proteinov, zvijanjaproteinov in molekularnih interakcij peptidovz lipopolisaharidi,

- {tudij interakcij med ligandi in receptorjem,

- {tudij strukture in dinamike antibiotikov vpovezavi z njihovim biolo{kim u~inkom,

- raziskave strukture in dinamike organskihmolekul, detekcija in karakterizacija reaktivnihintermediatov pri reakcijah organskih inorganokovinskih spojin,

- {tudij naravnih produktov,

- {tudij sprememb v eritrocitih med bole-zenskimi stanji,

- {tudij strukture in konformacijskih ravnoteìjmetabolitov v raztopini in v trdnem,

- dolo~anje neèlenih stranskih in razgradnihproduktov v zdravilih,

- karakterizacijo kemijskih struktur poroznihmaterialov na fosfatni osnovi in strukturnih

(Faculty of Pharmacy, University of Ljubljana,Slovenia), Dr. Mitja Kocjan~i~ (Agricultural In-stitute of Slovenia), Prof. Dr. Branko Stanovnik(Faculty of Chemistry and Chemical Technology,University of Ljubljana, Slovenia), Dr. Zoran[u{teri~ (Sava d.d., Kranj, Slovenia), and Dr.Simona Goli~ Grdadolnik (Ministry of HigherEducation, Science and Technology).In 2006 the cooperation between various re-search groups and NMR centre at NIC involvedover 55 basic, applied and industrial projectsas well as international research projects. Re-search was conducted by the following aca-demic institutions that are cofounders andcoinvestors into equipment of NMR centre:National Institute of Chemistry, Institute JozefStefan, Faculty of Pharmacy, Faculty of Chem-istry and Chemical Technology (both Universityof Ljubljana, Slovenia) and Agricultural Instituteof Slovenia. In the last few years cooperationof NMR centre at NIC has been extended tocolleagues at National University Library, TheSlovenian Institute for Hop Research and Brew-ing, Faculty of Natural Sciences and Engineer-ing, Faculty of Biotechnology, Medicinal Fac-ulty of University of Ljubljana, Slovenia andPolytechnic from Nova Gorica, Slovenia. Instru-ments are available to all institutions and com-panies which apply NMR spectroscopy at theirwork. Companies Lek d.d., Ljubljana, Slovenia;Krka d.d., Novo mesto, Slovenia and Helios d.d.,Domàle, Slovenia use NMR spectrometers asanalytical tool as well as in their research anddevelopment projects. In 2006 NMR centre of-fered services and help to companies Fenolitand Kimi as well as JRC IRMM.Research activities of NMR centre focused on:- structure of oligomeric nucleic acids frag-

ments and conformational changes in DNAupon interaction with metal ions,

- protein structure and dynamics, protein fold-ing and molecular interactions of peptideswith lipopolysaharides,

- ligand-receptor interactions,

- structure and dynamics of antibiotics in rela-

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sprememb v procesu hidrotermalne sintezezeolitov,

- {tudij strukture in ~istosti polimernihmaterialov, vsebnosti stranskih produktovpolimerizacije, mehanizmov polimerizacije,lastnosti polimerov z na~rtovano makro-molekularno strukturo,

- dolo~anje kvalitete ter geografskega poreklaslovenskih vin.

Pomemben vidik delovanja NMR centra jenjegova izobraèvalna vloga. NMR center nudipomo~ pri snemanju in interpretaciji NMRspektrov pri konkretnih strukturnih problemihv okviru diplomskih del, magisterijev indoktoratov.

BIBLIOGRAFIJA2 izvirna znanstvena ~lanka1 samostojni znanstveni sestavek v

monografiji1 intervju1 objavljeni znanstveni prispevek na


prispevkov na konferencah1 objavljeni povzetek strokovnega pris-

pevka na konferenci3 predavanja na tujih univerzah1 vabljeno predavanje na konferenci brez

natisa

GLAVNI DOSE@KI V LETU 2006Za~etek delovanja novega 800 MHz NMRspektrometra smo obeleìli z mednarodnimsimpozijem z naslovom “Frontiers of Biomo-lecular NMR – Inauguration of the 800 MHzSpectrometer & Ten Years of Slovenian NMRcentre”. Simpozij je potekal od 30. junija do 1.julija 2006 v Cankarjevem domu v Ljubljani.Isto~asno smo obeleìli deseto obletnicoraziskovalnega dela na 600 MHz NMR spektro-metru v okviru NMR centra na Kemijskemin{titutu. Cilj simpozija je bila izmenjava znanjain izku{enj na podro~ju NMR spektroskopije terneposredno povezovanje teorije in prakse.

tion with their biological role,

- structure and dynamics of organic molecules,detection and characterization of reactiveintermediates in reactions of organic andorganometallic compounds,

- studies on natural products,

- studies on changes in erythrocytes duringdisease,

- structure and conformational equilibria ofmetabolites in solution and in solid state,

- determination of byproducts in pharmaceu-ticals,

- structural characterization of phosphatebased porous materials and structuralchanges in the process of hydrothermal syn-thesis of zeolites,

- studies on structure and purity of polymers,byproducts of polymerization, mechanismsof polymerization and properties of polymerswith designed macromolecular structure,

- determination of authenticity, quality andorigin of Slovenian wines.

NMR centre has important role in educationand training. NMR centre offers collection, andinterpretation of NMR spectra on specific struc-tural problems that are part of bachelor, mas-ters and doctoral thesis.


in a Monograph1 Interview1 Published Scientific Conference Contribu-



Contribution Abstract3 Invited Lectures at Foreign Universities1 Invited Conference Lecture

IMPORTANT ACHIEVEMENTS IN 2006The beginning of operation of new 800 MHz

177


SLIKA 1:

Profesor Kurt Wütrhich, Nobelov nagrajenec za kemijo

leta 2002 je imel otvoritveno predavanje na simpoziju

z naslovom “Frontiers of Biomolecular NMR – Inau-

guration of the 800 MHz Spectrometer & Ten Years

of Slovenian NMR centre”. Simpozij je potekal od 30.

junija do 1. julija 2006 v Cankarjevem domu v Ljubljani

FIGURE 1:

Professor Kurt Wütrhich, Nobel laureate in Chemis-

try in 2002 delivered an opening lecture at the sym-

posium entitled “Frontiers of Biomolecular NMR – In-

auguration of the 800 MHz Spectrometer & Ten Years

of Slovenian NMR centre”. Symposium took place

from June 30 to July 1, 2006 in Ljubljana.

Simpozij je ponudil pregled vseh aspektovNuklearne Magnetne Resonance na sistemih,ki so biolo{ko pomembni. Otvoritveno preda-vanje je imel Nobelov nagrajenec Kurt Wüthrich,ki je v svojem predavanju predstavil najnovej{erezultate svojih dveh raziskovalnih skupin, insicer na ETH v Zürichu in na Scripps ResearchInstitute v Kaliforniji. Plenarni in ostalipredavatelji, ki so se odzvali na{emu vabilu, sonajbolj{i NMR spektroskopisti v Evropi.Udeleènci iz dràv Evropske unije so bilinavdu{eni nad kvaliteto prispevkov. Simpozij jepomenil korak k povezovanju in sodelovanjumed na{im NMR centrom ter slovenskoindustrijo, s katero sodelavci NMR centrasodelujemo in institucijami v celi Evropi.Sre~anja so se udeleìli tudi raziskovalci iz

NMR spectrometer was marked and celebratedthrough the international symposium entitled“Frontiers of Biomolecular NMR – Inaugurationof the 800 MHz Spectrometer & Ten Years ofSlovenian NMR centre”. Symposium took placebetween June 30 and July 1, 2006 in Cankarjevdom, Ljubljana, Slovenia. At the same time wecelebrated the tenth anniversary of research on600 MHz NMR spectrometer. The goals of thesymposium were exchange of knowledge andexperience in the field of NMR spectroscopy anddirect connection of theory and practice.Simposium offered an overview of all the as-pects of Nuclear Magnetic Resonance on sys-tems which are of biological relevance. Theopening lecture was given by Nobel LaureateProfessor Kurt Wüthrich, who has in his lecture

178


akademskih institucij in iz industrije iz Slovenije,srednje Evrope in dràv ~lanic Evropske unije. Vrealizacijo simpozija smo vklju~ili tudi do- inpodiplomske {tudente kemije, farmacije inbiokemije ter raziskovalce, ki NMR spektro-skopijo uporabljajo pri svojem vsakdanjemraziskovalnem ali razvojnem delu v akademskihinstitucijah in v industriji. Simpozij je omogo~il{iroko platformo za izmenjavo idej, rezultatovin znanja in je vsekakor pripomogel k temu, dase slovenski raziskovalci {e bolje integriramo inpovezujemo z najbolj{imi raziskovalnimiskupinami v Evropi.Tematika simpozija je bila izredno pomembnatudi za raziskovalce iz farmacevtskih dru`b Krkein Leka, {e posebno, ker sta solastnici NMRspektrometrov v okviru slovenskega NMR cen-tra in redno uporabljata NMR spektroskopijopri svojem delu. Med udeleènci simpozija sobili tudi sodelavci iz Heliosa, ki prav tako tesnosodelujejo z NMR centrom na lokaciji Kemij-skega in{tituta. Vsesplo{na ocena orga-nizatorjev, doma~ih udeleèncev in udeleènceviz tujine je bila, da je bil simpozij izredenznanstveni dogodek in da smo za~etek uporabenove raziskovalne opreme ustrezno obeleìli.V teku je projekt Center odli~nosti, pri kateremsodelujemo sodelavci Kemijskega in{tituta, Lekain Krke in je sofinanciran v okviru ukrepa 1.1Evropskega sklada za regionalni razvoj. Naslovtega ambicioznega projekta je »NMR centerodli~nosti za {tudij struktur in interakcij vbiotehnologiji in farmaciji«. Raziskovalnorazvojne usmeritve so zajete v 5 podsklopih oz.delovnih paketih, s katerimi fokusiramo na{eaktivnosti na naslednja znanstvena in razis-kovalna vpra{anja, ki se zelo tesno navezujejona konkretne probleme v farmacevtski industriji:1.struktura in interakcije v trdnem stanju,

polikristalini~nost, polimorfizem,

2.struktura in analitika organskih spojin vraztopini,

3. raziskave zmesi spojin v raztopini - profilne~isto~ v zdravilih, razpadni produkti,metaboliti,

presented the latest research of his two re-search groups at ETH in Zürich and at ScrippsResearch Institute in California. Plenary andother lecturers who attended the symposiumwere the best NMR spectroscopists in Europe.Participants from Europe Union countries wereenthusiastic about the quality of presentations.Symposium represented a step in connectingand cooperation between NMR centre andSlovene industry who are important collabora-tors of NMR centre and institutions all overEurope. The meeting was attended by research-ers from academic institutions and from indus-try in Slovenia, central Europe and EU memberstates. Under- as well as graduate students ofchemistry, pharmacy and biochemistry partici-pated as well as researchers who apply NMRspectroscopy at ther daily research and devel-opment work. Symposium represented a wideplatform for exchange of ideas, results andknowledge and has certainly scientists fromSlovenia to even better integrate and link withthe best research groups in Europe.Themes of the symposium were very importantto researchers from slovene pharmaceuticalcompanies Krka and Lek in particular as theyhave coinvested in the purchase of NMRspectrometers in Slovenian NMR centre and ap-ply NMR spectroscopy at their work process.Among the participants were also researchersfrom Helios, who also closely collaborates withNMR centre at National Institute of Chemistry.General assessment of the organizers, domes-tic participants and participants from abroadwas that symposium has been an exceptionalscientific event.The project of Centre of Excellence entitled“NMR centre of excellence for the study of struc-tures and interactions in biotechnology andpharmacy” is running in collaboration of re-searchers from NIC, Lek and Krka and is co-fi-nanced by EU Structural Funds (action 1.1).Research and development orientations are di-vided into 5 sub-areas, or work-packages. Theseareas are tightly linked to problems in the phar-maceutical industry and will allow us to focus

179


FIGURE 2:

Schematic representation of the unimolecular G-

quadruplex formed by the oligonucleotide sequence

d(G4(T

4G

4)3) in the presence of 15NH

4+ ions (on the

left). G-quadruplex consists of four G-quartets and

three binding sites for 15NH4+ ions. Bound cations

are not static, but move amongst binding sites and

also exchange with bulk solution. Using 2D NzExHSQC

spectra (on the right) it was possible to determine

the exchange rates of 15NH4+ ions through the indi-

vidual G-quartets, which is depicted by the green

arrows (broader part of the arrow indicates more ef-

ficient ion movement, and vice versa). The figure

comes from the study in which P. Podbev{ek, N. V.

Hud (Georgia Institute of Technology, Atlanta, USA)

in J. Plavec showed that the exchange within the G-

quadruplex is significantly slower compared to the

bimolecular G-quadruplex with a related sequence.

Our data show that exchange is faster through the

outer than through the inner G-quartets. Further-

more, the difference in exchange rates through the

outer G-quartets shows its dependence on the to-

pology of the connecting T4 loops, which influence

rigidity of the adjacent G-quartets and sterically hinder15NH

4+ ion movement.

SLIKA 2:

Shematski prikaz unimolekularnega G-kvadrupleksa,

ki ga tvori oligonukleotidno zaporedje d(G4(T

4G

4)3) v

prisotnosti 15NH4+ ionov (na levi). G-kvadrupleks

sestavljajo {tirje G-kvarteti, med katerimi smo dokazali

tri vezavna mesta za 15NH4+ ione. Ugotovili smo, da

kationi niso stati~ni, ampak se gibljejo med vezavnimi

mesti in okoli{ko raztopino. S pomo~jo 2D NzExHSQC

spektrov (na desni) smo lahko dolo~ili hitrosti

izmenjave 15NH4+ ionov skozi posamezne G-kvartete,

kar shematsko ponazarjata zeleni pu{~ici (debelej{i

del pu{~ice predstavlja bolj efektivno izmenjavo in

obratno). Slika je del {tudije, v kateri smo P. Podbev{ek,

N. V. Hud (Georgia Institute of Technology, Atlanta,

ZDA) in J. Plavec pokazali, da je izmenjava znotraj

tega G-kvadrupleksa bistveno po~asnej{a kot pri

bimolekularnem G-kvadrupleksu s sorodnim zapo-

redjem. Ugotovili smo, da je izmenjava skozi zunanja

G-kvarteta hitrej{a kot skozi notranja. Nadalje smo

pokazali, da je razlika v hitrostih izmenjave skozi

zunanja G-kvarteta posledica topologije povezovalnih

T4 zank, ki vpliva na rigidnost bli`njega G-kvarteta

ter steri~no ovira gibanje 15NH4+ ionov.

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4.karakterizacija rekombinantnih proteinov inbiolo{kih makromolekul v raztopini,

5. interakcija zdravilnih u~inkovin z biolo{kimimakromolekulami.

Raziskovalni dose`ki, ki so nastali v sodelovanjuNMR centra z raziskovalnimi laboratoriji inskupinami {irom po Sloveniji, so bili objavljeni vmnogih publikacijah v revijah z mednarodnimrecenzentskim sistemom (seznam je dostopenna doma~i strani NMR centra na naslovuwww.nmr.ki.si). Precej{nje {tevilo teh dose`kovje bilo objavljenih v revijah, ki segajo v sam vrhznotraj posameznih podro~ij znanosti. Ti dose`kibodo posebej opisani med rezultati posameznihlaboratorijev na Kemijskem in{titutu ali nadrugih in{titutih in fakultetah. Dose`ki sode-lovanja med NMR centrom in slovenskoindustrijo so javno znani le preko uspe{negaposlovnega rezultata posameznega podjetja.

SODELOVANJE Z INDUSTRIJSKIMI INDRUGIMI PARTNERJINMR center je infrastrukturni center, ki nudipodporo naj{ir{emu krogu akademskih in ostalihuporabnikov. Zelo intenzivni so stiki tudi zindustrijskimi partnerji, ki so sovlagatelji vopremo NMR centra:- Krka d.d., Novo mesto

- Lek d.d., Ljubljana

- Helios d.d., Domàle

Ostali uporabniki uslug NMR centra v letu 2006:- Fenolit d.d., Borovnica

- Kimi d.o.o., Trzin

MEDNARODNO SODELOVANJEMednarodno sodelovanje NMR centra jeobse`no (seznam mednarodnih projektov jedostopen na www.nmr.ki.si).

POMEMBNI IN[TRUMENTI IN OPREMAV okviru NMR centra na lokaciji KI so name{~enislede~i NMR spektrometri visoke lo~ljivosti:- Varian NMR systems 800

- Varian NMR systems 600

our activities on the following scientific andresearch questions:1.Structure and interactions in solid state,

polycrystallinity, polymorphism,

2.Structural determination and analysis of or-ganic compounds in solution,

3.Studies of mixtures of compounds in solu-tion - profiling of impurities in medicines,degradation products, metabolites,

4.Characterization of recombinant proteins andbiological macromolecules in solution,

5. Interaction of medically active compoundswith biological macromolecules.

Scientific achievements, which are the result ofcooperation of NMR center with laboratoriesand groups around Slovenia were published inover 42 publications in journals with interna-tional peer review evaluation procedure (com-plete list is available on NMR center’s home-page at www.nmr.ki.si). Several of these publi-cations were published in journals which are atthe top of the list within individual scientificfields. These achievements will be specificallydescribed as results of individual laboratoriesat NIC or other institutes or faculties. Results ofcooperation between NMR center and Slove-nian industry are publicly known only throughpositive financial results of individual company.

COLLABORATION WITH INDUSTRIAL ANDOTHER PARTNERSNMR centre plays a role of infrastructural facil-ity and as such offers its support and expertisein the field of NMR spectroscopy to all inter-ested academic research institutions as well asto commercial companies. The following indus-trial partners have participated in the purchaseof the equipment and are regular users of NMRfacility:- Krka d.d., Novo mesto, Slovenia

- Lek d.d., Ljubljana, Slovenia

- Helios d.d., Domàle, Slovenia

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- Varian Unity Inova 300


Zadnja velika posodobitev opreme je bilaizvedena s pomo~jo sredstev Evropskega skladaza regionalni razvoj.

IZOBRA@EVANJE IN OBISKI / GOSTOVANJAPomemben vidik delovanja NMR centra jenjegova izobraèvalna vloga. NMR center nudipomo~ pri snemanju in interpretaciji NMRspektrov pri konkretnih strukturnih problemihv okviru diplomskih del, magisterijev indoktoratov.Dr. Primo` [ket je za svojo doktorsko disertacijoz naslovom “NMR {tudije vezave kovinskih ionovznotraj G-kvadrupleksnih struktur DNK” prejelnagrado na razpisu 36. Krkinih nagrad.

The other users of our services were:- Fenolit d.d., Borovnica, Slovenia

- Kimi d.o.o., Trzin, Slovenia

INTERNATIONAL COLLABORATIONNMR centre is very active internationally. List ofinternational projects is available at www.nmr.ki.si.

MAJOR EQUIPMENTMajor equipment of NMR centre includes high-resolution NMR spectrometers:- Varian NMR systems 800

- Varian NMR systems 600



We are proud to note that the latest upgradeof research equipment was made possible withthe financial support of EU Structural Funds.

EDUCATION AND IMPORTANT VISITSImportant aspect of NMR centre’s activity is itsrole in educational role. NMR centre offers helpat collection, and interpretation of NMR spec-tra on specific structural problems that are partof bachelor, masters and doctoral thesis.Dr. Primo` [ket received the prize for his Ph.D.dissertation entitled “NMR Studies of cationbinding within G-quadruplex DNA structures”at the 36th Krka Awards.

182


183

Center za validacijske tehnologije in analitiko (CVTA)Centre for Validation Technologies and Analytics (CVTA)

L16Center za validacijske tehnologije inanalitiko (CVTA)

Centre for Validation Technologies andAnalytics (CVTA)

VODJA / HEADDoc. dr. Janko @mitek

RAZISKOVALCI / RESEARCHERSSodelavci iz L06 – odgovorni nosilci nalog / as-sociates from L06:Dr. Mirko Pro{ek (vodja podro~ja / head of pro-gram)Dr. Alenka Golc Wondra (vodja podro~ja / headof program)Mitja Kri`manDr. Andrej [midovnik

TEHNI^NO OSEBJE / TECHNICAL STAFFAna Andri} (za~asno odsotna – porodni{kidopust / temporary absence - maternity leave)Renata Ciglari~ (od / since 2. 12. 2005)Katarina Jankovi~Adolf Kra{naBarbara Le~nik Spai}Darija Lorber (za~asno odsotna – porodni{kidopust / temporary absence - maternity leaveuntill 30. 4. 2006)Tanja Maver (do / untill 19. 7. 2006)Katja Ro`manc Babnik

184

Center za validacijske tehnologije in analitiko (CVTA)

Centre for Validation Technologies and Analytics (CVTA)

PODRO^JA DEJAVNOSTICVTA na~rtuje in izvaja razvojno-analitskestoritve na podro~ju zdravil in prehrane; njegovadejavnost obsega:- razvoj HPLC, GC, TLC in drugih analiznih

postopkov ter postopkov za dolo~anje hitrostiraztapljanja,

- na~rtovanje in izvedbo validacij analiznihpostopkov,

- izvajanje analiz in analiznih {tudij za potrebekontrole kakovosti izdelkov ter validacijproizvodnih tehnologij in tehnologij ~i{~enjaproizvodne opreme,

- izvajanje analiz za {tudij biorazpolo`ljivostioz. bioekvivalentnosti zdravil,

- validacije analiznih metod in tehnologij znavedenimi tehnikami,

- izdelavo ekspertnih mnenj in svetovanja napodro~ju dejavnosti.

Aktivnosti potekajo v skladu s standardi dobrelaboratorijske oz. dobre proizvodne prakse.

GLAVNI DOSE@KI V LETU 2006CVTA sledi nara{~ajo~im potrebam slovenske intuje farmacevtske industrije po analitski podpori

RESEARCH ACTIVITIESCVTA designs and performs the following ac-tivities related to medicines and food:- development of HPLC, GC, TLC, dissolution

testing and other analytical procedures

- analyses and performs analytical studies forthe quality control of products, and for thevalidation of production and cleaning tech-nologies

- bioanalytical studies of bioavailability andbioequivalence

- validation of analytical methods and tech-nologies

- preparation of expert opinions and consult-ing

Activities are performed according to GLP and/or GMP standards.

IMPORTANT ACHIEVEMENTS IN 2006CVTA follows the increasing needs of the phar-maceutical industry for analytical support totheir R&D and production projects, combinedwith sharpening requirements of quality stand-ards. All the activities were performed in tightcollaboration with L06, which offered profes-

185

Center za validacijske tehnologije in analitiko (CVTA)Centre for Validation Technologies and Analytics (CVTA)

razvojnim in proizvodnim projektom obzaostrovanju kakovostnih zahtev za izvajanjetak{nih del. Delo v CVTA poteka ob strokovnipodpori Laboratorija za prehrambeno kemijo(L06).V letu 2006 smo za slovensko farmacevtskoindustrijo izvedli:- razvoj dveh analitskih postopkov,

- validacijo 55 HPLC, GC in TLC analitskihpostopkov,

- analize za validacijo ve~ proizvodnih tehno-logij,

- analize za validacije ve~ tehnologij ~i{~enjaproizvodne opreme,

- analize v okviru stabilitetnih {tudij za ve~preparatov,

- analize rezidualnih topil v ca. 600 vzorcihrazli~nih preparatov.

Vsa dela so bila izvedena v skladu s standardidobre laboratorijske oz. dobre proizvodneprakse.

sional support of its experts to CVTA.Crucial achievements in the year 2006 were:- Development of 2 analytical methods

- Validation of 55 HPLC, GC in TLC analyticalmethods

- Analyses for several process validations

- Analyses for several cleaning validations

- Analyses for stability studies

- Analyses of residual solvents (OVI) in approxi-mately 600 samples of pharmaceutical fin-ished dosage forms

All activities were performed according to GLPand/or GMP standards.

COLLABORATION WITH INDUSTRIAL ANDOTHER PARTNERSAccording to the goals, CVTA has earned all itsincome by activities for industrial partners, par-ticularly Lek d.d., Ljubljana, Slovenia - the mem-ber of Sandoz company, and Krka d.d., Novomesto, Slovenia.

186

Center za validacijske tehnologije in analitiko (CVTA)

Centre for Validation Technologies and Analytics (CVTA)

SODELOVANJE Z INDUSTRIJSKIMI INDRUGIMI PARTNERJICVTA je v skladu s cilji vse prihodke v letu 2006ustvaril z delom za farmacevtsko industrijo,zlasti z dru`bama Lek d.d., Ljubljana in Krkad.d., Novo mesto.

POMEMBNI IN[TRUMENTI IN OPREMAVe~ HPLC sistemov, dva GC sistema in sistem zadolo~anje hitrosti raztapljanja ter TLC sistem(skupaj z L06). Vsi instrumenti so validirani indelujejo v skladu s principi dobre laboratorijskeprakse (GLP).

MAJOR EQUIPMENTSeveral HPLC systems, two GC and TLC systems,as well as a system for dissolution testing, allvalidated and operating according to GLP prin-ciples.

187

Izbrana bibliografija v letu 2006Selected Bibliography in Year 2006

L01Laboratorij za molekularno modeliranjein NMR spektroskopijo

Laboratory for Molecular Modelling andNMR Spectroscopy

V celoti objavljeni ~lanki (znanstveni, strokovni, poljudni) / Full Text Articles

1. AVBELJ, Franc, BALDWIN, Robert Lesh. Limited validity of group additivity for the foldingenergetics of the peptide group. Proteins, 2006, vol. 62, no. 2, str. 283-289. ¢COBISS.SI-ID3429146¥

2. AVBELJ, Franc, GOLI^ GRDADOLNIK, Simona, GRDADOLNIK, Joè, BALDWIN, Robert Lesh.Intrinsic backbone preferences are fully present in blocked amino acids. Proc. Natl. Acad. Sci.U.S A., 2006, vol. 103, no. 5, str. 1272-1277. ¢COBISS.SI-ID 3425306¥

3. BREN, Urban, MARTINEK, Vaclav, FLORIAN, Jan. Decomposition of the solvation free energiesof deoxyribonucleoside triphosphates using the free energy perturbation method. J. Phys.Chem., B Condens. Mater. Surf. Interfaces Biophys., 2006, vol. 110, no. 25, str. 12782-12788. ¢COBISS.SI-ID 3488026¥

4. BREN, Urban, MARTINEK, Vaclav, FLORIAN, Jan. Free energy simulations of uncatalyzed DNAreplication fidelity : structure and stability of T-G and dTTP-G terminal DNA mismatchesflanked by a single dangling nucleotide. J. Phys. Chem., B Condens. Mater. Surf. InterfacesBiophys., 2006, vol. 110, no. 21, str. 10557-10566. ¢COBISS.SI-ID 3484442¥

5. BREN, Urban, ZUPAN, Mateja, GUENGERICH, F. Peter, MAVRI, Janez. Chemical reactivity as atool to study carcinogenicity : reaction between chloroethylene oxide and guanine. J. Org.Chem., 2006, vol. 71, no. 11, str. 4078-4084. ¢COBISS.SI-ID 3464218¥

6. CIESIK, Katarzyna, KOLL, Aleksander, GRDADOLNIK, Joè. Structural characterization of aphenolic lipid and its derivative using vibrational spectroscopy. Vibr. Spectrosc., 2006, vol.41, no. 1, str. 14-20. ¢COBISS.SI-ID 3469594¥

7. HUMLJAN, Jan, KOTNIK, Miha, BONIFACE, Audrey, [OLMAJER, Toma`, URLEB, Uro{, BLANOT,Didier, GOBEC, Stanislav. A new approach towards peptidosulfonamides: synthesis of potentialinhibitors of bacterial peptidoglycan biosynthesis enzymes MurD and MurE. Tetrahedron,2006, vol. 62, no. 47, str. 10980-10988. ¢COBISS.SI-ID 1993073¥

188


8. JANE@I^, Du{anka, LUÎ], Bono, NIKOLI], Sonja, MILIÊVI], Ante, TRINAJSTI], Nenad. Boilingpoints of alcohols - a comparative QSPR study. Internet Electron. J. Mol. Des., 2006, vol. 5,no. 4, str. 192-200. ¢COBISS.SI-ID 3468058¥

9. KENIG, Manca, JENKO, Sa{a, TU[EK-@NIDARI^, Magda, POMPE NOVAK, Maru{a, GUNÂR,Gregor, TURK, Du{an, WALTHO, Jonathan P., STANIFORTH, Rosemary A., AVBELJ, Franc,@EROVNIK, Eva. Folding and amyloid-fibril formation for a series of human stefins’ chimeras:any correlation? Proteins, 2006, vol. 62, no. 4, str. 918-927. ¢COBISS.SI-ID 3428890¥

10. KONC, Janez, HODO[ÊK, Milan, JANE@I^, Du{anka. Molecular surface walk. Croat. Chem.Acta, 2006, vol. 79, no. 2, str. 237-241. ¢COBISS.SI-ID 3398938¥

11. KORO[EC, Tina, GRDADOLNIK, Joè, URLEB, Uro{, KOCJAN, Darko, GOLI^ GRDADOLNIK,Simona. Synthesis, conformation, and stereodynamics of a salt of 2-¢2-(3,4-Dichlorophenyl)-ethyl¥-propylamino)-1-pyridin-3-ylethanol. J. Org. Chem., 2006, vol. 71, no. 2, str. 792-795.¢COBISS.SI-ID 1861233¥

12. KOVAÎ^, Sa{a, LESAR, Antonija, HODO[ÊK, Milan, KOLLER, Joè. A theoretical examinationof the isomerization of BrONO

2 to BrOONO. Chem. Phys., 2006, vol. 323, str. 369-375.

¢COBISS.SI-ID 19808551¥

13. KRANJC, Agata, MAVRI, Janez. Guanine alkylation by ethylene oxide : calculation of chemicalreactivity. J. Phys. Chem., A Mol. Spectrosc. Kinet. Environ. Gen. Theory, 2006, vol. 110, no.17, str. 5740-5744. ¢COBISS.SI-ID 3463962¥

14. LESAR, Antonija, BONÎNA, Matja`, HODO[ÊK, Milan. Density functional study on theCICO + NO

2 reaction. Chem. Phys., 2006, vol. 328, str. 363-370. ¢COBISS.SI-ID 20150311¥

15. LESAR, Antonija, HODO[ÊK, Milan, DROUGAS, Evangelos, KOSMOS, Agnie M. Quantummechanical investigation of the atmospheric reaction CH

3O

2 + NO. J. Phys. Chem., A Mol.

Spectrosc. Kinet. Environ. Gen. Theory, 2006, vol. 110, str. 7898-7903. ¢COBISS.SI-ID19947559¥

16. LESAR, Antonija, KOVAÎ^, Sa{a, HODO[ÊK, Milan. CIONO and BrONO loss mechanisms inthe presence of NO

2 : a quantum-mechanical study. Chem. Phys. Lett., 2006, vol. 429, str.

343-349. ¢COBISS.SI-ID 20150567¥

17. LEVSTIK, Adrijan, FILIPI^, Cene, BOBNAR, Vid, LEVSTIK, Ivana, HAD@I, Du{an. Polaronconductivity mechanism in oxalic acid dihydrate : ac conductivity experiment. Phys. Rev., B,Condens. Matter Mater. Phys., 2006, vol. 74, str. 153104-1-153104-4. ¢COBISS.SI-ID20263975¥

18. MANTZOURANI, Efthimia D., TSELIOS, Theodore V., GOLI^ GRDADOLNIK, Simona, PLATTS,James A., BRANCALE, Andrea, MATSOUKAS, John, MAVROMOUSTAKOS, Thomas.Comparison of proposed putative active conformations of myelin basic protein epitope 87-99 linear altered peptide ligands by spectroscopic and modelling studies : the role of positions

189


91 and 96 in T-cell receptor activation. J. Med. Chem., 2006, vol. 49, no. 23, str. 6683-6691. ¢COBISS.SI-ID 3616282¥

19. MANTZOURANI, Efthimia, TSELIOS, Theodore V., GOLI^ GRDADOLNIK, Simona, BRANCALE,Andrea, PLATTS, James A., MATSOUKAS, John, MAVROMOUSTAKOS, Thomas. A putativebioactive conformation for the altered peptide ligand of myelin basic protein and inhibitorof experimental autoimmune encephalomyelitis ¢Arg91, Ala96¥ MBP

87-99. J. Mol. Graph. Model.,

2006, vol. 25, no. 1, str. 17-29. ¢COBISS.SI-ID 3559450¥

20. MERZEL, Franci, HODO[ÊK, Milan, JANE@I^, Du{anka, SANSON, Alain. New force field forcalcium binding sites in annexin-membrane complexes. J. Comput. Chem., 2006, vol. 27,no. 4, str. 446-452. ¢COBISS.SI-ID 3407130¥

21. MRAVLJAK, Janez, KONC, Janez, HODO[ÊK, Milan, [OLMAJER, Toma`, PEÂR, Slavko. Spin-labeled alkylphospholipids in a dipalmitoylphosphatidylcholine bilayer : molecular dynamicssimulations. J. Phys. Chem., B Condens. Mater. Surf. Interfaces Biophys., 2006, vol. 110, no.51, str. 25559-25561. ¢COBISS.SI-ID 2036337¥

22. OBLAK, Marko, GOLI^ GRDADOLNIK, Simona, KOTNIK, Miha, POTERSZMAN, Arnaud,ATKINSON, R. Andrew, NIERENGARTEN, Helene, DESPLANCQ, Dominique, MORAS, Dino,[OLMAJER, Toma`. Biophysical characterization of an indolinone inhibitor in the ATP-bindingsite of DNA gyrase. Biochem. Biophys. Res. Commun., 2006, vol. 349, no. 4, str. 1206-1213.¢COBISS.SI-ID 3572762¥

23. OLSSON, Mats H. M., MAVRI, Janez, WARSHEL, Arieh. Transition state theory can be used instudies of enzyme catalysis : lessons from simulations of tunnelling and dynamical effects inlipoxygenase and other systems. ÿ�Philos. Trans.-R. Soc. Lond., Biol. Sci., 2006, vol. 361, no.1472, str. 1417-1432. ¢COBISS.SI-ID 3521050¥

24. PETERNEL, Luka, [TEMPELJ, Mateja, ̂ ERNE, Manica, ZEGA, Anamarija, OBREZA, Ale{, OBLAK,Marko, DREVEN[EK, Gorazd, BUDIHNA, Metka, STANOVNIK, Lovro, URLEB, Uro{. Directthrombin inhibitors built on the azaphenylalanine scaffold provoke degranulation of mastcells. Thromb. Haemost., 2006, vol. 95, no. 2, str. 294-300. ¢COBISS.SI-ID 1881457¥

25. PODLIPNIK, ^rtomir, [OLMAJER, Toma`, KOLLER, Joè. Similarity of radial distributionfunction’s intervals. Match Commun. Math. Comput. Chem. (Krag.), 2006, vol. 56, no. 2,str. 261-270, graf. prikazi. ¢COBISS.SI-ID 28198149¥

26. PRAPROTNIK, Matej, DELLE SITE, Luigi, KREMER, Kurt. Adaptive resolution scheme for efficienthybrid atomistic-mesoscale molecular dynamics simulations of dense liquids. Phys. Rev., EStat. Nonlinear Soft Matter Phys., 2006, no. E 73, 066701, 12 str., graf. prikazi. ¢COBISS.SI-ID 3490586¥

27. SOVA, Matej, PERDIH, Andrej, KOTNIK, Miha, KRISTAN, Katja, LANI[NIK-RI@NER, Tea,[OLMAJER, Toma`, GOBEC, Stanislav. Flavonoids and cinnamic acid esters as inhibitors offungal 17s-hydroxysteroid dehydrogenase : a synthesis, QSAR and modelling study. Bioorg.Med. Chem., 2006, vol. 14, no. 22, str. 7404-7418. ¢COBISS.SI-ID 21450969¥

190


28. VIZITIU, Aniela E., DIUDEA, Mircea V., NIKOLI], Sonja, JANE@I^, Du{anka. Retro-leapfrogand related retro map operations. J. Chem. Inf. Mod., 2006, vol. 46, str. 2574-2578.¢COBISS.SI-ID 3583514¥

29. ZOUMPOULAKIS, Panagiotis, POLITI, Aggeliki, GOLI^ GRDADOLNIK, Simona, MATSOUKAS,John, MAVROMOUSTAKOS, Thomas. Structure elucidation and conformational study of V8: a novel synthetic non peptide AT

1 antagonist. J. Pharm. Biomed. Anal., 2006, vol. 40, no.

5, str. 1097-1104. ¢COBISS.SI-ID 3450650¥

V celoti objavljeni prispevki s konferenc / Full Text Conference Contributions

30. BRESKVAR, Matja`, LUKMAN, Dragan, MANKO^ BOR[TNIK, Norma. On the origin of familiesof fermions and their mass matrices : approximate analyses of properties of four familieswithin approach unifying spins and charges : ¢presented at 9th Workshop What ComesBeyond the Standard Models, Bled, September 16-26, 2006¥. Blejsk. delavn. fiz., 2006, letn.7, {t. 2, str. 25-50. ¢COBISS.SI-ID 1964132¥

31. JANE@I^, Du{anka. Molecular modeling - a new approach : ¢lecture¥. V: OREL, Bojan (ur.).4th International Seminar on Numerical Mathematics - NAday06, Ljubljana, June 9, 2006.Ljubljana: Fakulteta za ra~unalni{tvo in informatiko, 2006, str. 7-8. ¢COBISS.SI-ID 3498778¥

32. JANE@I^, Du{anka, MILIÊVI], Ante, NIKOLI], Sonja. On the Zagreb matrices and deriveddescriptors. V: MAROULIS, George (ur.), SIMOS, Theodore (ur.). Trends and perspectives inmodern computational science : lectures presented at the International Conference ofComputational Methods in Sciences and Engineering (ICCMSE 2006), Chania, Crete, Greece,¢27th October - 1 November 2006¥ : recognised conference by the European Society ofComputational Methods in Sciences and Engineering (ESCMSE), (Lecture series on computerand computational sciences, vol. 6). Leiden: Brill Academic Publishers, 2006, str. 405-409.¢COBISS.SI-ID 3618842¥

33. KOSMAS, Agnie M., DROUGAS, Evangelos, LESAR, Antonija, HODO[ÊK, Milan. Quantummechanical investigation of the atmospheric reaction CH

3O

2+NO. V: DAGAUT, Philippe (ur.),

MELLOUKI, Abdelwahid (ur.). GK 2006, 19th International Symposium on Gas Kinetics, July22-27,2006, Orleans, France. Proceedings. Orleans: LCSR-CNRS, 2006, str. 45-47. ¢COBISS.SI-ID 20317223¥

34. ZIDAR, Jernej, TRATAR-PIRC, Elizabeta, ARÔN, Iztok, BUKOVEC, Peter. Vezava bakrovih(II)ionov na D-glukozamin = Copper(II) ion binding to D-glucosamine. V: GLAVI^, Peter (ur.),BRODNJAK-VONÎNA, Darinka (ur.). Slovenski kemijski dnevi 2006, Maribor, 21. in 22.september 2006. Maribor: FKKT, 2006, str. ¢1-7¥, graf. prikazi. ¢COBISS.SI-ID 28010501¥

Monografije in sestavki v monografijah / Monographs and Contributionsin Monographs

35. DENISOV, Gleb S., MAVRI, Janez, SOBCZYK, Lucjan. Potential energy shape for the protonmotion in hydrogen bonds reflected in infrared and NMR spectgra. V: GRABOWSKI, Slawomir

191


J. (ur.). Hydrogen bonding - new insights, (Challenges and advances in computationalchemistry and physics, vol. 3). Dordrecht: Springer, 2006, str. 377-416, ilustr. ¢COBISS.SI-ID3637018¥

Mentorstva / Mentorships

36. GROBELNIK, Barbara, ôpi~, Martin (mentor), Grdadolnik, Joè (komentor). Izra~un opti~nihkonstant v infrarde~em obmo~ju z metodo oslabljenega popolnega odboja : diplomsko delo.Ljubljana: ¢B. Grobelnik¥, 2006. 39 f., graf. prikazi. ¢COBISS.SI-ID 1917796¥

Uredni{tva / Editorships

37. Journal of molecular structure. Hadì, Du{an (~lan uredni{kega sveta 1960-). . Amsterdam:Elsevier. ISSN 0022-2860. ¢COBISS.SI-ID 990223¥

38. Spectrochimica acta. Part A: Molecular and biomolecular spectroscopy. Hadì, Du{an (~lanuredni{kega sveta 1995-). New York: Elsevier, 1995-. ISSN 0584-8539. ¢COBISS.SI-ID26433280¥

39. Acta chimica slovenica. Hadì, Du{an (~lan uredni{kega odbora 1998-), Mavri, Janez (~lanuredni{kega odbora 2005-). Ljubljana: Slovensko kemijsko dru{tvo = Slovenian ChemicalSociety, 1993-. ISSN 1318-0207. ¢COBISS.SI-ID 14086149¥

40. Journal of chemical information and modeling (formerly Journal of chemical informationand computer sciences). Janeì~, Du{anka (urednik 2005-). Washington: American ChemicalSociety, 2005-. ISSN 1549-9596. ¢COBISS.SI-ID 26533125¥

^lanstva v organizacijskih odborih / Memberships in Conference Committees

41. BLINC, Robert, DOLIN[EK, Janez, GOLI^ GRDADOLNIK, Simona, GRIESINGER, Christian,JERALA, Roman, KAPTEIN, Robert, MALI, Gregor, PLAVEC, Janez, PRISTOV[EK, Primo`.Members of international program/organizing committee. Frontiers of biomolecular NMR -inauguration of the 800MHz spectrometer & ten years of Slovenian NMR centre. Ljubljana:Slovenian NMR Centre @ National Institute of Chemistry, June 30 - July 1, 2006. ¢COBISS.SI-ID 3466266¥

Intervjuji / Interviews

42. JANE@I^, Du{anka, [vagelj, Toma` (oseba, ki intervjuva). Za kolege v tujini smo zdaj èenakopravni partnerji, le pri opremi seveda precej zaostajamo : dr. Du{anka Janeì~ o uspehihslovenskih naravoslovcev v tujini. Delo (Ljubl.), 19. jan. 2006, let. 48, {t. 15, str. 16. ¢COBISS.SI-ID 3430426¥

192


193


L02Laboratorij za spektroskopijo materialov

Laboratory for Spectroscopy of Materials


1. DULAR, Matev`, BAJCAR, Tom, SLEMENIK PER[E, Lidija, @UMER, Miha, [IROK, Brane.Numerical simulation and experimental study of non-Newtonian mixing flow with a freesurface. Braz. J. Chem. Eng., 2006, letn. 23, {t. 4, str. 473-486. ¢COBISS.SI-ID 9823259¥

2. IVANDA, Mile, HOHL, Achim, MONTAGNA, Maurizio, MARIOTTO, M., FERRARI, Maurizio,CRNJAK OREL, Zorica, TURKOVI], Aleksandra, FURI], Kre{imir. Raman scattering of acousticalmodes of silicon nanoparticles embedded in silica matrix. J. Raman Spectrosc., 2006, vol.37, no. 1/3, str. 161-165. ¢COBISS.SI-ID 3448602¥

3. JOVANOVSKI, Vasko, OREL, Boris, JE[E, Robi, STATHATOS, Elias, LIANOS, Panagiotis. Positivelycharged polysilsesquioxane/iodide ionic liquid as a quasi solid-state redox electrolyte for dye-sensitized photo electrochemical cells : infrared, 29Si NMR, and electrical studies. Intl J.Photoenergy, 2006, str. 1-8 (article ID 23703). ¢COBISS.SI-ID 3561498¥

4. JOVANOVSKI, Vasko, STATHATOS, Elias, OREL, Boris, LIANOS, Panagiotis. Dye-sensitized solarcells with electrolyte based on a trimethoxysilane-derivatized ionic liquid. V: The NinthInternational Conference on Surface X-Ray and Neutron Scattering - 9SXNS, Proceedings ofSymposium F on Thin Film and Nanostructured Materials for Photovoltaics, EMRS 2005Conference, Strasbourg, France, May 31–June 3, 2005, (Thin Solid Films, vol. 511/512, str.634-637). Amsterdam: Elsevier, 2006. ¢COBISS.SI-ID 3477274¥

5. KOVA^, Nives, FAGANELI, Jadran, BAJT, Oliver, [KET, Boris, [URCA VUK, Angela, OREL, Boris,MOZETI^, Patricija. Degradation and preservation of organic matter in marinemacroaggregates. Acta Chim. Slov., 2006, vol. 53, no. 1, str. 81-87, graf. prikazi. ¢COBISS.SI-ID 27487493¥

6. LIBERATORE, Massimiliano, DECKER, Franco, [URCA VUK, Angela, OREL, Boris, DRA@I], Goran.Effect of the organic-inorganic template ICS-PPG on sol-gel deposited V

2O

5 electrochromic

thin film. Sol. Energy Mater. Sol. Cells., 2006, vol. 90, no. 4, str. 434-443. ¢COBISS.SI-ID3312410¥

194


7. OREL, Boris, JE[E, Robi, [URCA VUK, Angela, JOVANOVSKI, Vasko, SLEMENIK PER[E, Lidija,@UMER, Miha. Structural studies of trimethoxysilane containing R’R’’Im+I- ionic liquid and itsnanocomposite with tetramethoxysilane (TMOS). J. Nanosci. Nanotechnol., 2006, vol. 6,no. 2, str. 382-395. ¢COBISS.SI-ID 3338010¥

8. [URCA VUK, Angela, JE[E, Robi, GABER[ÊK, Miran, OREL, Boris, DRA@I], Goran. Structuraland spectroelectrochemical (UV-vis and IR) studies of nanocrystalline sol-gel derived TiO

2

films. Sol. Energy Mater. Sol. Cells., 2006, vol. 90, no. 4, str. 452-468. ¢COBISS.SI-ID 3312666¥

9. TURKOVI], Aleksandra, PAVLOVI], Mladen, IVANDA, Mile, GABER[ÊK, Miran, CRNJAK OREL,Zorica. Influence of intercalated lithium on structural and electrical properties of V

2O

5 mixed

V/Ce oxide and Fe2O

3. J. Electrochem. Soc., 2006, vol. 153, no. 1, str. A122-A126. ¢COBISS.SI-

ID 3404570¥

10. VINCE, Jelica, OREL, Boris, VIL^NIK, Alja`, FIR, Mojca, [URCA VUK, Angela, JOVANOVSKI,Vasko, SIMONÎ^, Barbara. Structural and water-repellent properties of a urea/poly(dimethylsiloxane) sol-gel hybrid and its bonding to cotton fabric. Langmuir, 2006, vol.22, no. 15, str. 6489-6497. ¢COBISS.SI-ID 3543834¥

11. VUJO[EVI], Danijela, VRANICA, Zoran, VESEL, Alenka, CVELBAR, Uro{, MOZETI^, Miran,DRENIK, Aleksander, MOZETI^, Tatjana, KLANJ[EK GUNDE, Marta, HAUPTMAN, Nina.Plazemska sterilizacija bakterij s kisikovo plazmo = Oxygen plasma sterilization of bacteria.Mater. tehnol., 2006, letn. 40, {t. 6, str. 227-232. ¢COBISS.SI-ID 578474¥

12. JUNKAR, Ita, HAUPTMAN, Nina, CVELBAR, Uro{, KOVA^, Janez, MOZETI^, Miran. Obdelavaumetnih ìl s kisikovo plazmo = Oxygen plasma modification of vascular grafts. Vakuumist,2006, letn. 26, {t. 4, str. 10-13. ¢COBISS.SI-ID 20642599¥

13. KLANJ[EK GUNDE, Marta, MATI, Danica. Zakaj so mokre povr{ine videti temnej{e od suhih.Fiz. {oli, maj 2006, letn. 11, {t. 2, str. 88-97. ¢COBISS.SI-ID 3493146¥

14. HAUPTMAN, Nina, Jen~i~, Samo (fotograf). Zeleno gorivo. Natl. Geogr. Jr. (Ljubljana)., april2006, {t. 28, str. 11, ilustr. ¢COBISS.SI-ID 3470874¥


15. CRNJAK OREL, Zorica. Characterization of novel counter electrode: mixed vanadium ceriumoxides : ¢invited lecture¥. V: HUI, David (ur.). Fourteenth annual international conference oncomposites/nano engineering ¢also¥ ICCE-14, July 2-8, 2006, Boulder, Colorado : ¢proceedings¥.¢S. l.: s. n.¥, 2006, str. 481-484. ¢COBISS.SI-ID 3523098¥

16. CRNJAK OREL, Zorica, TURKOVI], Aleksandra. Novel counter electrode based on mixedvanadium cerium oxides : preparation and characterization. V: World renewable energycongress IX, Full proceedings. Oxford: Elsevier, cop. 2006, str. ¢1-6¥ (InvSM3). ¢COBISS.SI-ID3558170¥

195


17. KOVA^, Nives, FAGANELI, Jadran, BAJT, Oliver, OREL, Boris, [KET, Boris. Composition andformation of macroaggregates in the northern Adriatic sea. V: Production and fate of dissolvedorganic matter in the Mediterranean sea : ¢Workshop¥ Cambados (Spain) 21-24 September2005, (CIESM Workshop Monographs, 28). Monaco: CIESM, 2006, str. 75-80. ¢COBISS.SI-ID 1599311¥

18. OREL, Boris, SPREIZER, Helena, [URCA VUK, Angela, FIR, Mojca, MERLINI, Du{an, VODLAN,Marjanca, KOHL, Michael. Optimisation of selective solar absorber paints : performance,durability and colours. V: Gleisdorf Solar 2006 - Internationales Symposium furSonnenenergienutzung : 6. bis 8. September 2006, Gleisdorf, Osterreich. Gleisdorf: AEEINTEC, 2006, str. 123-129. ¢COBISS.SI-ID 3583258¥

19. BITENC, Marko, CRNJAK OREL, Zorica. Hidrotermalna sinteza submikrometerskega cinkovegaoksida = Hydrothermal synthesis of submicrometer zinc oxide. V: GLAVI^, Peter (ur.),BRODNJAK-VONÎNA, Darinka (ur.). Slovenski kemijski dnevi 2006, Maribor, 21. in 22.september 2006. Maribor: FKKT, 2006, 7 str. ¢COBISS.SI-ID 3601690¥

20. DULAR, Matev`, BAJCAR, Tom, SLEMENIK PER[E, Lidija, @UMER, Miha, [IROK, Brane.Numeri~na simulacija in meritve toka nenewtonske teko~ine v odprti posodi z me{alom =Numerical simulation and measurements of non-Newtonian flow in an open vessel with amixer. V: KORELC, Joè (ur.), ZUPAN, Dejan (ur.). Kuhljevi dnevi 2006, Lipica, 21.-22. september2006. Zbornik del. Ljubljana: Slovensko dru{tvo za mehaniko, 2006, str. 73-82. ¢COBISS.SI-ID 9689883¥

21. HAUPTMAN, Nina, KLANJ[EK GUNDE, Marta, MAÊK, Marijan, KUNAVER, Matja`.Temperaturne spremembe foto-ob~utljivega materiala na epoksi osnovi = The changes ofepoxy-based photoresist with temperature. V: GLAVI^, Peter (ur.), BRODNJAK-VONÎNA,Darinka (ur.). Slovenski kemijski dnevi 2006, Maribor, 21. in 22. september 2006. Maribor:FKKT, 2006, 6 str. ¢COBISS.SI-ID 3602970¥

22. KLANJ[EK GUNDE, Marta. Actual CIE news. V: SIMONÎ^, Barbara (ur.), MO@INA, Klementina(ur.), JELER, Slava (ur.), DEM[AR, Andrej (ur.). 37th International Symposium on Novelties inTextiles ¢and¥ 2nd International Symposium on Novelties in Graphics ¢and¥ 7th InternationalSymposium of SCA: Colors of National Symbols, Ljubljana, Slovenia, 15-17 June 2006. Bookof proceedings. Ljubljana: Faculty of Natural Sciences and Engineering, Department of Textiles,2006, 6 f. ¢COBISS.SI-ID 3502618¥

23. KLANJ[EK GUNDE, Marta, GOLOB, Gorazd, AHTIK, Jure, OPARA KRA[OVEC, Ur{a. Colorrendering of daylight passing through switchable windows : calculations and measurements: ¢lecture¥. V: Sixth International LRO lighting research symposium “Light and color”, Orlando,Florida, February 5-8, 2006 : ¢proceedings¥. ¢S. l.¥: Electric Power Research Institute - EPRI,2006, str. ¢1-9¥. ¢COBISS.SI-ID 3450138¥

24. MAÊK, Marijan, HAUPTMAN, Nina. A novel micromachined humidity sensor based on epoxyphotoresist. V: BELAVI^, Darko (ur.), KOSEC, Marija (ur.), [ORLI, Iztok (ur.). EMPS 2006 - 4thEuropean Microelectronics and Packaging Symposium with Table-Top Exhibition, May 21-

196


24, 2006, Terme âte`, Slovenia. Proceedings. Ljubljana: Midem, cop. 2006, str. 27-32,ilustr. ¢COBISS.SI-ID 5441364¥

25. MAÊK, Marijan, HAUPTMAN, Nina, KLANJ[EK GUNDE, Marta. Comparison of SU8photoresist structure and humidity sensor properties. V: VRTA^NIK, Danilo (ur.), [ORLI, Iztok(ur.). Proceedings. Ljubljana: MIDEM - Society for Microelectronics, Electronic Componentsand Materials, cop. 2006, str. 89-94, ilustr. ¢COBISS.SI-ID 5516116¥

26. URBAS, Ra{a, KLANJ[EK GUNDE, Marta. Vpliv ultravijoli~ne svetlobe na materiale. V:VODOPIVEC, Jedert (ur.). Pol stoletja : ¢zbornik prispevkov ob 50. obletnici delovanja Centraza konserviranje in restavriranje Arhiva Republike Slovenije in Interdisciplinarnem posvetuSvetloba in kulturna dedi{~ina in katalog ob razstavi¥, (Publikacije Arhiva Republike Slovenije,Zbornik in katalog, ¢Katalogi¥, zv. 28). Ljubljana: Arhiv Republike Slovenije, 2006, str. 127-133. ¢COBISS.SI-ID 3626266¥


27. KOLMAN, Andreja, MATI, Danica, FURLAN, Irena, KLANJ[EK GUNDE, Marta, JERMAN, Riko,PINTAR, Danica, OCEPEK, Rudi, Krhin, Kristina (ilustrator), Gaber{~ik, Alenka (fotograf).Naravoslovje 7 : 7. razred devetletke, U~benik. 2. izd. Ljubljana: Rokus, 2006. 174 str., ilustr.ISBN 961-209-578-7. ¢COBISS.SI-ID 225881088¥

28. KOLMAN, Andreja, MATI, Danica, FURLAN, Irena, @IBERT, Joì, KLANJ[EK GUNDE, Marta,JAKLIN, Matja`, JERMAN, Riko, Godec Schmidt, Jelka (ilustrator), Vr{~aj, Du{an (fotograf).Naravoslovje in tehnika 4 : 4. razred devetletke, U~benik. 2. izd. Ljubljana: Rokus, 2006. 105str., ilustr. ISBN 961-209-627-9. ¢COBISS.SI-ID 225123328¥

29. KOLMAN, Andreja, MATI, Danica, FURLAN, Irena, @IBERT, Joì, KLANJ[EK GUNDE, Marta,JAKLIN, Matja`, JERMAN, Riko, Godec Schmidt, Jelka (ilustrator), Vr{~aj, Du{an (fotograf).Naravoslovje in tehnika 4 : 4. razred devetletke, Delovni zvezek. 2. izd. Ljubljana: Rokus,2006. ISBN 961-209-628-7. ¢COBISS.SI-ID 225123840¥

30. KOLMAN, Andreja, MATI, Danica, KLANJ[EK GUNDE, Marta, JERMAN, Riko, FURLAN, Irena,PINTAR, Danica, OCEPEK, Rudi, Krhin, Kristina (ilustrator), Gabr{~ik, Alenka (fotograf).Naravoslovje 7 : 7. razred devetletke, Delovni zvezek. 2. izd. Ljubljana: Rokus, 2006. ISBN961-209-579-5. ¢COBISS.SI-ID 225881600¥

31. KOLMAN, Andreja, JAKLIN, Matja`, MATI, Danica, FURLAN, Irena, KLANJ[EK GUNDE, Marta,JERMAN, Riko, Vr{~aj, Du{an (fotograf), Krhin, Kristina (ilustrator). Naravoslovje in tehnika 5: 5. razred devetletke, Delovni zvezek. 1. izd. Ljubljana: Rokus, 2006. ISBN 961-209-398-9.¢COBISS.SI-ID 224505088¥

32. KOLMAN, Andreja, MATI, Danica, FURLAN, Irena, @IBERT, Joì, KLANJ[EK GUNDE, Marta,JAKLIN, Matja`, JERMAN, Riko, Godec Schmidt, Jelka (ilustrator). Naravoslovje in tehnika 4 :4. razred devetletke, Priro~nik za u~itelje. 4. prenovljena izd. Ljubljana: Rokus, 2006. 151str., preglednice. ISBN 961-209-647-3. ¢COBISS.SI-ID 227041792¥

197


33. KOLMAN, Andreja, MATI, Danica, KLANJ[EK GUNDE, Marta, JERMAN, Riko, FURLAN, Irena,PINTAR, Danica, OCEPEK, Rudi, SKRIBE-DIMEC, Darja. Naravoslovje 7 : 7. razred devetletke,Priro~nik za u~itelje. 1. izd. Ljubljana: Rokus, 2006. 192 str., ilustr. ISBN 961-209-648-1.¢COBISS.SI-ID 227031552¥

Patenti in patentne prijave / Patents and Patent Applications

34. AN@LOVAR, Alojz, CRNJAK OREL, Zorica, @IGON, Majda. Sinteza nanoì~k na osnovibakrovega(I) oksida z redukcijo v diolu brez dodatka vode : slovenska patenta prijava {t. P-200600160, datum prijave 5.jul.2006. Ljubljana: Urad Republike Slovenije za intelektualnolastnino, 2006. 6 str. ¢COBISS.SI-ID 3669018¥

Doktorati, magisteriji in diplome / Ph.D., M.Sc. and B.Sc. Theses

35. FIR, Mojca, Orel, Boris (mentor). Sol-gel za{~itne nanokompozitne prevleke za Al-Cu zlitinoin son~ne absorberje : doktorska disertacija. Ljubljana: ¢M. Fir¥, 2006. VIII, 115 f., ilustr.¢COBISS.SI-ID 28320005¥

36. JE[E, Robi, Orel, Boris (mentor). Strukturne in spektroskopske lastnosti materialov v iono-opti~nih sistemih : doktorska disertacija. Ljubljana: ¢R. Je{e¥, 2006. 117 f., ilustr., graf. prikazi.¢COBISS.SI-ID 27499781¥


37. FIR, Mojca, Orel, Boris (mentor). Sol-gel za{~itne nanokompozitne prevleke za Al-Cu zlitinoin son~ne absorberje : doktorska disertacija. Ljubljana: ¢M. Fir¥, 2006. VIII, 115 f., ilustr.¢COBISS.SI-ID 28320005¥

38. JE[E, Robi, Orel, Boris (mentor). Strukturne in spektroskopske lastnosti materialov v iono-opti~nih sistemih : doktorska disertacija. Ljubljana: ¢R. Je{e¥, 2006. 117 f., ilustr., graf. prikazi.¢COBISS.SI-ID 27499781¥

39. DIVJAK, Darko, Marin{ek, Marjan (mentor), Crnjak Orel, Zorica (komentor). Nizkotemperaturnasinteza cinkovih spojin (cinkovega-hidroksid karbonata in cinkovega oksida) : diplomsko delo.Ljubljana: ¢D. Divjak¥, 2006. IX, 53 f., ilustr. ¢COBISS.SI-ID 28176389¥

40. [IVEC, Da{a, Bukovec, Peter (mentor), Orel, Boris (komentor). Vpliv cerija na elektrokromnelastnosti nanokristalini~nih tankih plasti titanovega (IV) oksida : diplomsko delo. Ljubljana:¢D. [ivec¥, 2006. V, 53 f., ilustr. ¢COBISS.SI-ID 27421445¥


41. CRNJAK OREL, Zorica. Member of technical committee for solar materials topics. Worldrenewable energy congress IX, Florence, Italy, 19-25 August 2006. 2006. ¢COBISS.SI-ID3682842¥

198


199


L03Laboratorij za kemometrijo

Laboratory of Chemometrics


1. KARAWAJCZYK, Anna, DRGAN, Viktor, MEDIC, Nevenka, OBOH, Ganiyu, PASSAMONTI,Sabina, NOVI^, Marjana. Properties of flavonoids influencing the binding to bilitranslocaseinvestigated by neural network modelling. Biochem. Pharmacol., 2007 ¢online available 29September 2006¥, vol. 73, no. 2, str. 308-320. ¢COBISS.SI-ID 3622426¥

2. LETONDOR, Christophe, PORDEA, Anca, HUMBERT, Nicolas, IVANOVA, Anita, MAZUREK,Sylwester, NOVI^, Marjana, WARD, Thomas R. Artificial transfer hydrogenases based on thebiotin-(strept)avidin technology : fine tuning the selectivity by saturation mutagenesis of thehost protein. J. Am. Chem. Soc., 2006, vol. 128, no. 25, str. 8320 -8328. ¢COBISS.SI-ID3516442¥

3. LOOSLI, Andreas, RUSBANDI, Untung Edy, GRADINARU, Julieta, BERNAUER, Klaus,SCHLAEPFER, Carl Wilhelm, MEYER, Michel, MAZUREK, Sylwester, NOVI^, Marjana, WARD,Thomas R. (Strept)avidin as host for biotinylated coordination complexes stability, chiraldiscrimination, and cooperativity. Inorg. Chem., 2006, vol. 45, no. 2, str. 660-668. ¢COBISS.SI-ID 3427866¥

4. RANDI], Milan. Quantitative characterizations of proteome : dependence on the number ofproteins considered. J. Proteome Res., 2006, vol. 5, no. 7, str. 1575-1579. ¢COBISS.SI-ID3544090¥

5. RANDI], Milan. Spectrum-like graphical representation of DNA based on codons. Acta Chim.Slov., 2006, vol. 53, no. 4, str. 477-485. ¢COBISS.SI-ID 3636762¥

6. RANDI], Milan, BALABAN, Alexandru T. Partitioning of À-electrons in rings for Clar structuresof benzenoid hydrocarbons. J. Chem. Inf. Mod., 2006, vol. 46, no. 1, str. 57-64. ¢COBISS.SI-ID 3451674¥

200


7. RANDI], Milan, BUTINA, Darko, ZUPAN, Jure. Novel 2-D graphical representation of proteins.Chem. Phys. Lett., 2006, vol. 419, no. 4/6, str. 528-532. ¢COBISS.SI-ID 3611418¥

8. RANDI], Milan, NOVI^, Marjana, VIKI]-TOPI], Draèn, PLAV[I], Dejan. Novel numericaland graphical representation of DNA sequences and proteins. SAR QSAR Environ. Res., 2006,vol. 17, no. 6, str. 583-595, ilustr. ¢COBISS.SI-ID 3622170¥

9. RANDI], Milan, VUKIÊVI], Damir. Kekule structures of fullerene C70. Croat. Chem. Acta,2006, vol. 79, no. 3, str. 471-481. ¢COBISS.SI-ID 3657754¥

10. RANDI], Milan, WITZMANN, Frank A., KODALI, Varshna, BASAK, Subhash C. On thedependence of a characterization of proteomics maps on the number of protein spotsconsidered. J. Chem. Inf. Mod., 2006, vol. 46, no. 1, str. 116-122. ¢COBISS.SI-ID 3451930¥

11. RANDI], Milan, ZUPAN, Jure, VIKI]-TOPI], Draèn, PLAV[I], Dejan. A novel unexpected useof a graphical representation of DNA : graphical alignment of DNA sequence. Chem. Phys.Lett., 2006, vol. 431, no. 4/6, str. 375-379. ¢COBISS.SI-ID 3657242¥

12. REICH, Silva, MAGALLANES, Jorge F., DAWIDOWSKI, Laura, GOMEZ, Dario, GRO[ELJ, Neva,ZUPAN, Jure. An analysis of secondary pollutants in Buenos Aires city. Environ. Monit. Assess.,2006, vol. 119, no. 1/3, str. 441-457. ¢COBISS.SI-ID 3547418¥

13. TU[AR, Marjan, TU[AR, Livija, ZUPAN, Jure. The optimisation of energy consumption andtime in colour pigment grinding with pearl mills. J. Mater. Process. Technol., 2006, vol. 171,no. 1, str. 48-60. ¢COBISS.SI-ID 3435546¥

14. VRA^KO, Marjan, BANDELJ, Vinko, BARBIERI, Pierluigi, BENFENATI, Emilio, CHAUDHRY,Quasim, CRONIN, Mark T. D., DEVILLERS, James, GALLEGOS, Ana, GINI, Giuseppina,GRAMATICA, Paola, HELMA, Christoph, MAZZATORTA, Paolo, NEAGU, Daniel, NETZEVA,Tatiana I., PAVAN, Manuela, PATLEWICZ, Grace, RANDI], Milan, TSAKOVSKA, Ivanka, WORTH,Andrew P. Validation of counter propagation neural network models for predictive toxicologyaccording to the OECD principles : a case study. SAR QSAR Environ. Res., 2006, vol. 17, no.3, str. 265-284, ilustr. ¢COBISS.SI-ID 3556890¥

15. VRA^KO, Marjan, BASAK, Subhash C., GEISS, Kevin, WITZMANN, Frank A. Proteomic maps-toxicity relationship of halocarbons studied with similarity index and genetic algorithm. J.Chem. Inf. Mod., 2006, vol. 46, no. 1, str. 130-136. ¢COBISS.SI-ID 3452186¥

16. VUKIÊVI], Damir, GUTMAN, Ivan, RANDI], Milan. On instability of fullerene C72. Croat.Chem. Acta, 2006, vol. 79, no. 3, str. 429-436. ¢COBISS.SI-ID 3657498¥

17. TU[AR, Marjan. Od receptur za asfaltne zmesi do asfaltnih plasti. Kem. {oli, 2006, let. 18, {t.4, str. 20-26. ¢COBISS.SI-ID 3634202¥

201



18. GRO[ELJ, Neva, VRA^KO, Marjan, NOVI^, Marjana, BAETEN, Vincent. Sledenje le{nikovegaolja v olivnem olju z uporabo MIR spektroskopije in nevronskih mre` = Tracing the hazelnutoil in olive oil with the use of MIR-spectroscopy and artificial neural networks. V: GLAVI^,Peter (ur.), BRODNJAK-VONÎNA, Darinka (ur.). Slovenski kemijski dnevi 2006, Maribor, 21.in 22. september 2006. Maribor: FKKT, 2006, 10 str. ¢COBISS.SI-ID 3601178¥

19. MAZUREK, Sylwester, WARD, Thomas R., NOVI^, Marjana. Asimetri~na kataliza :napovedovanje prese`ka enantiomere na osnovi strukture katalizatorja z uporabo protito~nihumetnih nevronskih mre` = Asymmetric catalysis : the catalyst structure-based prediction ofenantiomeric excess by counter propagation artificial neural networks. V: GLAVI^, Peter(ur.), BRODNJAK-VONÎNA, Darinka (ur.). Slovenski kemijski dnevi 2006, Maribor, 21. in 22.september 2006. Maribor: FKKT, 2006, 10 str. ¢COBISS.SI-ID 3603994¥

20. PANEK, Jaroslaw J., CUI, Qiang, WARD, Thomas R., NOVI^, Marjana. QM in MM raziskavestruktur, energij in reaktivnosti biomimeti~nih enantioselektivnih katalizatorjev na osnovi biotin-avidin tehnologije = QM and MM investigations of structure, energetics and reactivity ofbiomimetic enantioselective catalysts based on biotin-avidin technology. V: GLAVI^, Peter(ur.), BRODNJAK-VONÎNA, Darinka (ur.). Slovenski kemijski dnevi 2006, Maribor, 21. in 22.september 2006. Maribor: FKKT, 2006, 8 str. ¢COBISS.SI-ID 3603738¥

21. TU[AR, Marjan. Model za izdelavo receptur asfaltnih zmesi = Model for asphalt mix recipedetermination. V: GLAVI^, Peter (ur.), BRODNJAK-VONÎNA, Darinka (ur.). Slovenski kemijskidnevi 2006, Maribor, 21. in 22. september 2006. Maribor: FKKT, 2006, 10 str. ¢COBISS.SI-ID3601434¥

22. TU[AR, Marjan, COTI^, Zvonko, ILJA@, Karl, VRA^KO, Marjan. Nizko temperaturna bitumenskaveziva : ¢predavanje¥. V: GOSTINÂR, Andreja (ur.). 8. slovenski kongres o cestah in prometu,Portoro`, 25.-27. oktobra 2006. Zbornik referatov. Ljubljana: DRC - Dru`ba za raziskave vcestni in prometni stroki Slovenije, 2006, str. 914-924. ¢COBISS.SI-ID 3642138¥

23. @UPERL, [pela, PRISTOV[EK, Primo`, MENART, Viktor, GABERC-POREKAR, Vladka, NOVI^,Marjana. Kemometri~na kvantifikacija strukturne identi~nosti/podobnosti proteinov, u~inkovinv biolo{kih zdravilih = Chemometric quantification of structural identity/similarity of proteinsin biopharmaceutics. V: GLAVI^, Peter (ur.), BRODNJAK-VONÎNA, Darinka (ur.). Slovenskikemijski dnevi 2006, Maribor, 21. in 22. september 2006. Maribor: FKKT, 2006, 10 str.¢COBISS.SI-ID 3603482¥


24. VRA^KO, Marjan. QSAR approach in study of mutagenicity of aromatic and heteroaromaticamines. V: QSAR and molecular modeling studies in heterocyclic drugs. II, (Topics in heterocyclicchemistry , ISSN 1861-9282; vol. 4). Heidelberg: Springer, cop. 2006, str. 85-106. ¢COBISS.SI-ID 3504922¥

202


25. TU[AR, Marjan. Kontrola kakovosti, Statisti~no vrednotenje. V: HENIGMAN, Slovenko, @MAVC,Janez. Asfalt. Ljubljana: Zdruènje asfalterjev Slovenije, 2006, str. 217-232. ¢COBISS.SI-ID3641882¥


26. Acta chimica slovenica. Zupan, Jure (~lan uredni{kega odbora 1995-). Ljubljana: Slovenskokemijsko dru{tvo = Slovenian Chemical Society, 1993-. ISSN 1318-0207. ¢COBISS.SI-ID14086149¥

27. Analytica chimica acta. Zupan, Jure (~lan uredni{kega odbora 1985-). New York; Amsterdam:Elsevier, 1947-. ISSN 0003-2670. ¢COBISS.SI-ID 5085447¥

28. Analytical letters. Zupan, Jure (~lan uredni{kega odbora 2002-). New York: M. Dekker. ISSN0003-2719. ¢COBISS.SI-ID 24943360¥

29. Chemometrics and intelligent laboratory systems. Zupan, Jure (~lan uredni{kega odbora1986-). Amsterdam; Oxford; New York; Tokyo: Elsevier, 1986-. ISSN 0169-7439. ¢COBISS.SI-ID 6557701¥

203


L04Laboratorij za analizno kemijo

Analytical Chemistry Laboratory


1. ELTEREN, Johannes Teun van, [LEJKOVEC, Zdenka, ARÔN, Iztok, GLASS, Hylke J. Aninterdisciplinary physical-chemical approach for characterization of arsenic in a calciner residuedump in Cornwall (UK). Environ. Pollut., 2006, letn. 139, str. 477-488. ¢COBISS.SI-ID 454651¥

2. FISHER, Astrid C., WOLTERBEEK, Herbert Th., KROON, J. J., GERRINGA, Loes J.A.,TIMMERMANS, Klaas R., ELTEREN, Johannes Teun van, TEUNISSEN, T. On the use of ironradio-isotopes to study iron speciation kinetics in seawater : a column separation and off-line counting approach. Sci. Total Environ., 2006, vol. 362, no. 1/3, str. 242-258. ¢COBISS.SI-ID 3487514¥

3. HITZENBERGER, Regina, CTYROKY, Peter, BERNER, Axel, TUR[I^, Janja, PODKRAJ[EK, Bo{tjan,GRGI], Irena. Size distribution of black (BC) and total carbon (TC) in Vienna and Ljubljana.Chemosphere, 2006, vol. 65, no. 11, str. 2106-2113. ¢COBISS.SI-ID 3617818¥

4. HOÊVAR, Samo B., @IVIN, Marko, MILUTINOVI] @IVIN, Aleksandra, HAWLINA, Marko,HUTTON, Emily A., OGOREVC, Boìdar. Simultaneous in vivo measurement of dopamine,serotonin and ascorbate in the striatum of experimental rats using voltammetric microprobe.Front. Biosci., 2006, vol. 11, str. 2782-2789. ¢COBISS.SI-ID 3588378¥

5. HUTTON, Emily A., HOÊVAR, Samo B., MAUKO, Lea, OGOREVC, Boìdar. Bismuth filmelectrode for anodic stripping voltammetric determination of tin. Anal. Chim. Acta, 2006,vol. 580, no. 2, str. 244-250. ¢COBISS.SI-ID 3624730¥

6. HUTTON, Emily A., OGOREVC, Boìdar, HOÊVAR, Samo B., SMYTH, Malcolm R. Bismuthfilm microelectrode for direct voltammetric measurement of trace cobalt and nickel in somesimulated and real body fluid samples. Anal. chim. acta., 2006, vol. 557, no. 1/2, str. 57-63.¢COBISS.SI-ID 3421466¥

204


7. MACHADO, Antonio J., [LEJKOVEC, Zdenka, ELTEREN, Johannes Teun van, FREITAS, MariaC., BAPTISTA, M.S. Arsenic speciation in transplanted lichens and tree bark in the frameworkof a biomonitoring scenario. J. Atmos. Chem., 2006, vol. 53, str. 237-249. ¢COBISS.SI-ID19998247¥

8. NOVI^, Milko, HADDAD, Paul R. Analyte-stationary phase interactions in ion-exclusionchromatography. V: LUCY, C. A. (ur.), VANATTA, L. E. (ur.). 18th Annual international ionchromatography symposium, Montreal, Canada, 18-21 September 2005, (Journal ofchromatography, vol. A 1118, no. 1, str. 19-28). Amsterdam: Elsevier, 2006. ¢COBISS.SI-ID3495194¥

9. PODKRAJ[EK, Bo{tjan, GRGI], Irena, TUR[I^, Janja, BERÎ^, Gorazd. Influence of atmosphericcarboxylic acids on catalytic oxidation of sulfur(IV). J. Atmos. Chem., 2006, vol. 54, no. 2,str. 103-120. ¢COBISS.SI-ID 3525914¥

10. [LEJKOVEC, Zdenka, KAPOLNA, Emese, IPOLYI, Ildi, ELTEREN, Johannes Teun van. Arsenosugarsand other arsenic compounds in littoral zone algae from the Adriatic sea. Chemosphere,2006, vol. 63, str. 1098-1105. ¢COBISS.SI-ID 19831591¥

11. [VANCARA, Ivan, BALDRIANOVA, Lucie, TESAROVA, Eva, HOÊVAR, Samo B., ELSUCCARY,Saber A. A., ECONOMOU, Anastasios, SOTIROPOULOS, Sotiris, OGOREVC, Boìdar, VYTRAS,Karel. Recent advances in anodic stripping voltammetry with bismuth-modified carbon pasteelectrodes. Electroanalysis, 2006, vol. 18, no. 2, str. 177-185. ¢COBISS.SI-ID 3423258¥

12. TUR[I^, Janja, PODKRAJ[EK, Bo{tjan, GRGI], Irena, CTYROKY, Peter, BERNER, Axel, DUSEK,Ulrike, HITZENBERGER, Regina. Chemical composition and hygroscopic properties of size-segregated aerosol particles collected at the Adriatic coast of Slovenia. Chemosphere, 2006,vol. 63, no. 7, str. 1193-1202. ¢COBISS.SI-ID 3465754¥


13. OGOREVC, Boìdar, HOÊVAR, Samo B. Bismuth based electrodes : a breakthrough inelectrochemical detection : ¢invited lecture¥. V: AGGARWAL, S. K. (ur.). Discussion meet onrole of electrochemistry in biosensors, nano-materials, fuel cells and ionic liquids ¢also¥ DM-BNFL-2006 : September 24-25, 2006, Mumbai, India. Mumbai ¢India¥: Indian Society forElectroAnalytical Chemistry, 2006, str. 66-69. ¢COBISS.SI-ID 3612186¥

14. BOLTE, Tanja, PAVLI, Peter, TUR[I^, Janja, GRGI], Irena, KEGL, Breda. Vpliv prometa naonesnaènost zraka = Influence of traffic on ambient air pollution. V: GLAVI^, Peter (ur.),BRODNJAK-VONÎNA, Darinka (ur.). Slovenski kemijski dnevi 2006, Maribor, 21. in 22.september 2006. Maribor: FKKT, 2006, str. ¢1-8¥. ¢COBISS.SI-ID 3567386¥

15. KOZOLE, Lidija, GRGI], Irena, TUR[I^, Janja, BRODNJAK-VONÎNA, Darinka. Kemijska inkemometri~na karakterizacija atmosferskih delcev po velikosti = Chemical and chemometricscharacterization of size segregated aerosol particles. V: GLAVI^, Peter (ur.), BRODNJAK-VONÎNA, Darinka (ur.). Slovenski kemijski dnevi 2006, Maribor, 21. in 22. september 2006.Maribor: FKKT, 2006, str. ¢1-7¥. ¢COBISS.SI-ID 3567642¥

205


16. TUR[I^, Janja, GRGI], Irena, PODKRAJ[EK, Bo{tjan, KOVAÊVI^, Miroslav, BERNER, Axel,ÛHALEV, Igor, [KANTAR, Jaroslav, JAM[EK, Janez. Vzor~evanje delcev po velikosti naemisijskem viru in njihova kemijska karakterizacija = Size segregated sampling of paticles atthe emission source and their chemical characterization. V: GLAVI^, Peter (ur.), BRODNJAK-VONÎNA, Darinka (ur.). Slovenski kemijski dnevi 2006, Maribor, 21. in 22. september 2006.Maribor: FKKT, 2006, str. ¢1-7¥. ¢COBISS.SI-ID 3567898¥


17. GLASS, Hylke J., ELTEREN, Johannes Teun van. Human arsenic exposure from contaminatedland. V: BETLEM, Gerrit (ur.), BRANS, Edward (ur.). Environmental liability in the EU : the2004 Directive compared with US and member state law. London: Cameron May InternationalLaw and Policy, 2006, str. 301-322. ¢COBISS.SI-ID 3471386¥


18. KOZOLE, Lidija, Brodnjak-Von~ina, Darinka (mentor), Grgi}, Irena (komentor). Kemijska inkemometri~na karakterizacija atmosferskih delcev po velikosti : diplomsko delo, (Fakultetaza kemijo in kemijsko tehnologijo, Kemijska tehnologija, Diplomska dela univerzitetnega{tudija). Maribor: ¢L. Kozole¥, 2006. 90 f., graf. prikazi. ¢COBISS.SI-ID 3486746¥


19. CERJAN-STEFANOVI], [tefica, NOVI^, Milko, BOLANÂ, Tomislav. Members of internationalprogram committee. 9th ISIC - International school of ion chromatography : Primo{ten,Croatia, 4.-7. October 2006. 2006. ¢COBISS.SI-ID 3598362¥

20. CERJAN-STEFANOVI], [tefica, NOVI^, Milko, BOLANÂ, Tomislav. Members of organizingcommittee. 9th ISIC - International school of ion chromatography : Primo{ten, Croatia, 4.-7.October 2006. 2006. ¢COBISS.SI-ID 3599386¥

21. ER@EN, Evgen, NOVI^, Milko, STRLI^, Matija, VOVK, Irena. Slovene members of internationalscientific committee. 12th international symposium on separation sciences, Lipica, Slovenia,September 27-29, 2006. ¢COBISS.SI-ID 3598874¥

22. GRGI], Irena. Organization of meeting. Interdisciplinary trpospheric research: from laboratoryto global change - INTROP : 5th steering committee meeting. Ljubljana ¢Slovenia¥: NationalInstitute of Chemistry, 30 Nov - 1 Dec 2006. ¢COBISS.SI-ID 3646234¥

23. STRLI^, Matija, ZUPANÎ^-KRALJ, Lucija, KRALJ CIGI], Irena, PROSEN, Helena, NOVI^, Milko,VOVK, Irena, MLAKAR, Anita, SUSI^, Robert, PUCKO, Danijela, TRAFELA, Tanja. Slovenemembers of organizing committee. 12th international symposium on separation sciences,Lipica, Slovenia, September 27-29, 2006. ¢COBISS.SI-ID 3599130¥

206


207


L05Laboratorij za kemijo,biologijo in tehnologijo vod

Laboratory for Chemistry,Biology and Technology of Water


1. DROLC, Andreja, COTMAN, Magda, RO[, Milenko, MAJCEN, Nineta. Measurement traceabilityand its role in proficiency testing schemes - a case study for wastewater analysis in Slovenia.Accredit. Qual. Assur., 2006, vol. 111, no. 8/9, str. 455-461. ¢COBISS.SI-ID 3472666¥

2. TI[LER, Tatjana, KO@UH ER@EN, Nevenka. Abamectin in the aquatic environment. Ecotoxicol.,2006, vol. 15, no. 6, str. 495-502. ¢COBISS.SI-ID 3481370¥

3. VRTOV[EK, Janez, RO[, Milenko. Denitrification of groundwater in the biofilm reactor witha specific biomass support material. Acta Chim. Slov., 2006, letn. 53, {t. 3, str. 396-400,graf. prikazi. ¢COBISS.SI-ID 28085253¥


4. VRTOV[EK, Janez, ZUPANÎ^, Gregor Drago. ̂ istilne naprave in odpadno blato. V: 3. okoljskisimpozij, Celje, 25. in 26. maj 2006. Vode - skrb, nadloga in izziv. ¢S. l.: s. n.¥, 2006, 11 str.¢COBISS.SI-ID 3488794¥

5. GRILC, Viktor, ZUPANÎ^, Gregor Drago. Zakonodajne zahteve za posamezne vrste ravnanjaz odpadnim blatom biolo{kih ~istilnih naprav : ¢vabljeno predavanje¥. V: Strokovnoposvetovanje Ravnanje z odpadki ’06, Ljubljana, 19. in 20. oktobra 2006. Zbornik predavanj.Ljubljana: ZTI - Zavod za tehni~no izobraèvanje, 2006, str. 166-173. ¢COBISS.SI-ID 3661338¥

6. COTMAN, Magda, DROLC, Andreja, ZAGORC-KONÂN, Jana. Assessment of pollution loadsfrom point and diffuse sources in small river basin- case study Ljubljanica River. V: TANIK,Aysegul (ur.), OZTURK, Izzet (ur.), GUREL, Melike (ur.), YAZGAN, Mustafa (ur.), PEHLIVANOGLU-MANTAS, Elif (ur.). 10th International Specialised Conference on Diffuse Pollution andSustainable Basin Management, Istanbul, September 18-22, 2006. IWA DipCon 2006 : CDof proceedings. Istanbul: International Water Association, 2006, 10 str. ¢COBISS.SI-ID3581466¥

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7 DROLC, Andreja, ZAGORC-KONÂN, Jana. Diffuse sources of nitrogen compounds in theSava River Basin, Slovenia : ¢poster¥. V: TANIK, Aysegul (ur.), OZTURK, Izzet (ur.), GUREL,Melike (ur.), YAZGAN, Mustafa (ur.), PEHLIVANOGLU-MANTAS, Elif (ur.). 10th InternationalSpecialised Conference on Diffuse Pollution and Sustainable Basin Management, Istanbul,September 18-22, 2006. IWA DipCon 2006 : CD of proceedings. Istanbul: InternationalWater Association, 2006, 10 str. ¢COBISS.SI-ID 3581722¥

8. JEMEC, Anita, TI[LER, Tatjana, SEPÎ], Kristina, DROBNE, Damjana. Uporaba biomarkerjevpri dolo~anju vplivov strupenih snovi na vodno bolho = The use of biomarkers to evaluatethe toxicity of pollutants to water flea. V: GLAVI^, Peter (ur.), BRODNJAK-VONÎNA, Darinka(ur.). Slovenski kemijski dnevi 2006, Maribor, 21. in 22. september 2006. Maribor: FKKT,2006, str. ¢1-7¥. ¢COBISS.SI-ID 3568410¥

9. KOLAR, Lucija, TI[LER, Tatjana, JENÎ^, Vlasta, CERKVENIK, Vesna, ZIDAR, Primo`, GESTEL,Cornelis A. M. van, KO@UH ER@EN, Nevenka. Toxicity of avermectin to some aquatic and soil-dwelling organisms. V: NEBBIA, Carlo (ur.). Proceedings of the 10th international congressof the European Association forVeterinary Pharmacology and Toxicology, (Journal of veterinarypharmacology and therapeutics, Vol. 29, Suppl. 1, 2006). Oxford: Blackwell Publishing,2006, 2006, vol. 29, no. Suppl1, str. 328-329 (K11). ¢COBISS.SI-ID 2613370¥

10. KURBUS, Tanja, VRTOV[EK, Janez, RO[, Milenko. Odstranjevanje du{ika iz odpadnih vod v{ar`nem biolo{kem reaktorju = Nitrogen removal from wastewater in sequencing batchreactor. V: GLAVI^, Peter (ur.), BRODNJAK-VONÎNA, Darinka (ur.). Slovenski kemijski dnevi2006, Maribor, 21. in 22. september 2006. Maribor: FKKT, 2006, str. ¢1-7¥. ¢COBISS.SI-ID3568154¥

11. KU@NER, Jernej, KOLAR, Lucija, TI[LER, Tatjana, CERKVENIK, Vesna, POGA^NIK, Milan, GESTEL,Cornelis A. M. van, KO@UH ER@EN, Nevenka. Partial environmental assessment of twoavermectins after single administration to sheep grazing pasture in the karst region. V: NEBBIA,Carlo (ur.). Proceedings of the 10th international congress of the European Association forVeterinary Pharmacology and Toxicology, (Journal of veterinary pharmacology andtherapeutics, Vol. 29, Suppl. 1, 2006). Oxford: Blackwell Publishing, 2006, 2006, vol. 29,no. Suppl1, str. 329. ¢COBISS.SI-ID 2614138¥

12. MARIN[EK-LOGAR, Romana, ZRIMEC, Alexis, BERDEN ZRIMEC, Maja, ̂ EPELJNIK, Tadej, TI[LER,Tatjana. Ugotavljanje strupenosti in genotoksi~nosti pitnih vod. V: RO[, Milenko (ur.). ¢Simpozijz mednarodno udele`bo¥ Vodni dnevi 2006, Portoro`, 18.-19. oktober 2006. Zbornikreferatov. Ljubljana: Slovensko dru{tvo za za{~ito voda, 2006, str. 58-69. ¢COBISS.SI-ID1945992¥

13. PODGORELEC, Mojca, TI[LER, Tatjana, MARIN[EK-LOGAR, Romana. Ugotavljanje prisotnostimotilcev endokrinega sistema v vodah = determination of endocrine disruptors in waters. V:GLAVI^, Peter (ur.), BRODNJAK-VONÎNA, Darinka (ur.). Slovenski kemijski dnevi 2006, Maribor,21. in 22. september 2006. Maribor: FKKT, 2006, str. ¢1-8¥. ¢COBISS.SI-ID 3568666¥

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14. TI[LER, Tatjana, COTMAN, Magda, VRTOV[EK, Janez. Toxicity and biodegradation potentialof waste water from industry producing fire protection materials. V: Environmental toxicology: ¢1st International Conference on Environmetal Toxicology,11-13 September 2006, Mykonos,Greece¥, (WIT transactions on biomedicine and health, vol. 10). Southampton; Boston: WITPress, str. 285-291. ¢COBISS.SI-ID 3563546¥

15. ZAGORC-KONÂN, Jana, @GAJNAR GOTVAJN, Andreja. Determination of aquatic hazard ofmelamine and epychlorohydrine resins. V: 17th International Congress of Chemical and ProcessEngineering, 27-31 August 2006, Praha, Czech Republic. CHISA 2006 : CD-ROM of full texts.Praha: Czech Society of Chemical Engineering, 2006, str. ¢1¥. ¢COBISS.SI-ID 27896837¥

16. ZUPANÎ^, Gregor Drago, VRTOV[EK, Janez, STRA@I[ÂR, Matej, RO[, Milenko. Energyrecovery with biogas production from brewery wastewater. V: World renewable energy congressIX, Full proceedings. Oxford: Elsevier, cop. 2006, str. ¢1-5¥. ¢COBISS.SI-ID 3557914¥

17. @GAJNAR GOTVAJN, Andreja, ZAGORC-KONÂN, Jana. Complex toxicity and biodegradabilityassesment of tannery landfill leachate. V: Protection and Restoration of the Environment VIII,Chania, Crete, Greece, July 3-7, 2006. e-Proceedings. ¢S. l.: s. n.¥, 2006, ¢1-8¥ str., graf. prikazi.¢COBISS.SI-ID 27759877¥

18. @GAJNAR GOTVAJN, Andreja, ZAGORC-KONÂN, Jana. Optimizacija fizikalno-kemijskegapred~i{~enja deponijske izcedne vode = Optimization of physico-chemical pretreatment oflandfill leachate. V: GLAVI^, Peter (ur.), BRODNJAK-VONÎNA, Darinka (ur.). Slovenski kemijskidnevi 2006, Maribor, 21. in 22. september 2006. Maribor: FKKT, 2006, str. ¢1-9¥, graf. prikazi.¢COBISS.SI-ID 28022277¥

19. @GAJNAR GOTVAJN, Andreja, ZAGORC-KONÂN, Jana. Pilot study on biological treatment oftannery landfill leachate. V: 17th International Congress of Chemical and Process Engineering,27-31 August 2006, Praha, Czech Republic. CHISA 2006 : CD-ROM of full texts. Praha: CzechSociety of Chemical Engineering, 2006, str. ¢1-11¥, graf. prikazi. ¢COBISS.SI-ID 27896581¥

20. GRILC, Viktor, ZUPANÎ^, Gregor Drago, RO[, Milenko. Alternativni na~ini sodobnega ravnanjaz odve~nim blatom iz biolo{kih ~istilnih naprav. V: RO[, Milenko (ur.). ¢Simpozij z mednarodnoudele`bo¥ Vodni dnevi 2006, Portoro`, 18.-19. oktober 2006. Zbornik referatov. Ljubljana:Slovensko dru{tvo za za{~ito voda, 2006, str. 99-109. ¢COBISS.SI-ID 3661594¥

21. VRTOV[EK, Janez, RO[, Milenko, GERM, Marko. Membranski bioreaktorji. V: KOMAC, Milica(ur.). î{~enje odpadnih voda ’06 : strokovno posvetovanje, Ljubljana, 31. maja in 1. junija2006 : zbornik predavanj. Ljubljana: Zavod za tehni~no izobraèvanje, 2006, str. 55-59.¢COBISS.SI-ID 3489050¥

22. ZUPANÎ^, Gregor Drago, STRA@I[ÂR, Matej, VRTOV[EK, Janez, RO[, Milenko. Obdelavapivovarni{kih odpadnih vod. V: RO[, Milenko (ur.). ¢Simpozij z mednarodno udele`bo¥ Vodnidnevi 2006, Portoro`, 18.-19. oktober 2006. Zbornik referatov. Ljubljana: Slovensko dru{tvoza za{~ito voda, 2006, str. 89-98. ¢COBISS.SI-ID 3661850¥

210


23. ZUPANÎ^, Gregor Drago, VRTOV[EK, Janez, RO[, Milenko, STRA@I[ÂR, Matej. î{~enjeodpadnih voda in pridobivanje obnovljive energije iz odpadne vode pivovarne Union. V:KOMAC, Milica (ur.). î{~enje odpadnih voda ’06 : strokovno posvetovanje, Ljubljana, 31.maja in 1. junija 2006 : zbornik predavanj. Ljubljana: Zavod za tehni~no izobraèvanje,2006, str. 93-100. ¢COBISS.SI-ID 3489562¥


24. [KRINJAR, Emil, Ro{, Milenko (mentor), Hriber{ek, Matja` (komentor), Knez, @eljko (komentor).Gospodarjenje z vodo in ~i{~enje odpadnih vod v industriji sladkorja : magistrsko delo,(Univerza v Mariboru, Fakulteta za strojni{tvo, Magistrska dela). Maribor: ¢Emil [krinjar¥,2006. XVII, 154 str., 19 pril., graf. prikazi, tabele. ¢COBISS.SI-ID 3515930¥

25. CEPU[, Sabina, Ro{, Milenko (mentor). Celovito prepre~evanje in nadzor onesnaèvanja vod vpivovarni : diplomsko delo, (Univerza v Novi Gorici, Fakulteta za znanosti o okolju, Diplomskenaloge univerzitetnega programa Okolje, 10). Nova Gorica: ¢S. Cepu{¥, 2006. VI, 70 str.,ilustr. ¢COBISS.SI-ID 3617306¥

26. LEMI^, Monika, Zagorc-Kon~an, Jana (mentor). Optimizacija fizikalno-kemijskega ~i{~enjaizcedne vode deponije usnjarske industrije : diplomsko delo. Ljubljana: ¢M. Lemi~¥, 2006.XIII, 79 f., ilustr. ¢COBISS.SI-ID 27787525¥

27. ÊPIN, Silva, Lobnik, Aleksandra (mentor), Ro{, Milenko (komentor), Majcen Le Marechal,Alenka (komentor). Primerjava elektrokemijske aktivacije (ECA) in ultrazvoka pri obdelavibiocidnih odpadnih vod : magistrsko delo, (Fakulteta za strojni{tvo, Magistrska dela). Maribor:¢S. êpin¥, 2006. XVI, 131 f., ilustr. ¢COBISS.SI-ID 10313494¥

28. DRA@IL, Mateja, Sollner Dolenc, Marija (mentor), Ti{ler, Tatjana (komentor). Optimizacijametodologije dolo~anja klorofila A v zelenih algah = Optimization of metodology ofdetermiinig clorophil in green algae : diplomsko delo, (Fakulteta za farmacijo, Ljubljana,Visoko{olski {tudij laboratorijske biomedicine, 244). Ljubljana: ¢Draìl, M.¥, 2006. 51 f., ilustr.¢COBISS.SI-ID 2033777¥

29. GU[TIN, Simon, Marin{ek-Logar, Romana (mentor), Ti{ler, Tatjana (komentor). OptimizacijaATP testa za dolo~anje strupenosti odpadnih voda in primerjava z referen~nimi metodami :diplomsko delo, univerzitetni {tudij = The optimisation of ATP wastewater toxicity test andcomparison with reference methods : graduation thesis, university studies, (Biotehni{kafakulteta, Enota medoddel~nega {tudija mikrobiologije, Ljubljana, Diplomske naloge, 253).Ljubljana: ¢S. Gu{tin¥, 2006. XI, 72 f., graf. prikazi, tabele. ¢COBISS.SI-ID 3175288¥


30. European water management. Zagorc-Kon~an, Jana (~lan uredni{kega odbora 1998-).Lavenham: Terence Dalton. ISSN 1461-6971. ¢COBISS.SI-ID 1607450¥

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31. BO@IÊK, Mojca, MAJCEN, Nineta, BENEDIK, Ljudmila, DROLC, Andreja, INKRET, Monika,RO[, Milenko. ^lani programsko-organizacijskega odbora. Ovrednotenje merilnih rezultatovanalitskih laboratorijev : mednarodni seminar TrainMiC-Training in metrology in Chemistry.Celje: MIRS - Urad RS za meroslovje, 4.-5. maj 2006. ¢COBISS.SI-ID 3473690¥

32. MORIN, Ann, DULIO, Valeria, FOUILLAC, Anne-Marie, TAYLOR, Philip, HELD, Andrea, BOLEY,Nick, RO[, Milenko, DROLC, Andreja, SLOBODNIK, Jaroslav, LESLIE, Heather. Members oforganizing committee. Towards an improvement of QA/QC in water monitoring within thewater framework directive : 1st workshop of the EU project EAQC-WISE, Paris, November16-27, 2006. ¢COBISS.SI-ID 3619610¥

33. RO[, Milenko, DROLC, Andreja, COTMAN, Magda, MAJCEN, Nineta, TAYLOR, Philip,ROBOUCH, Piotr, BO@IÊK, Mojca. ^lani programskega in organizacijskega odbora.Primerljivost meritev v kemiji : predstavitev rezultatov Medlaboratorijskega presku{anja napodro~ju odpadnih vod in mednarodni seminar TrainMiC-Training in metrology in Chemistry.Ljubljana: Kemijski in{titut, 13. januar 2006. ¢COBISS.SI-ID 3418906¥

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213


L06 in CVTALaboratorij za prehrambeno kemijo inCenter za validacijske tehnologije in analitiko (CVTA)

Laboratory for Food Chemistry andCentre for Validation Technologies and Analytics (CVTA)


1. KRI@MAN, Mitja, BARIÊVI^, Dea, PRO[EK, Mirko. Fast quantitative determination of volatileconstituents in fennel by headspace-gas chromatography. Anal. Chim. Acta, 2006, 557, str.267-271. ¢COBISS.SI-ID 4526969¥

2. KRI@MAN, Mitja, JAK[E, Jernej, BARIÊVI^, Dea, JAVORNIK, Branka, PRO[EK, Mirko. RobustCTAB-activated charcoal protocol for plant DNA extraction = Robusten protokol za ekstrakcijorastlinske DNK s pomo~jo CTAB in aktivnega oglja. Acta Agric. Slov., 2006, let. 87, {t. 2, str.427-433. ¢COBISS.SI-ID 4807033¥

3. SIMONOVSKA, Breda, SRBINOSKA, Marija, VOVK, Irena. Analysis of sucrose esters - insecticidesfrom the surface of tobacco plant leaves. J. Chromatogr., 2006, vol. A 1127, str. 273-277.¢COBISS.SI-ID 3561242¥

4. SPINDLER-VESEL, Alenka, WRABER-HERZOG, Branka, VOVK, Irena, KOMPAN, Lidija. Intestinalpermeability and cytokine inflammatory response in multiply injured patients. J. InterferonCytokine Res., 2006, vol. 26, {t. 10, str. 771-776. ¢COBISS.SI-ID 21767897¥

5. VALENTOVA, Katerina, LEBEDA, Ale{, DOLE@ALOVA, Ivana, JIROVSKY, David, SIMONOVSKA,Breda, VOVK, Irena, KOSINA, Pavel, GASMANOVA, Nikol, DZIECHCIARKOVA, Marta,ULRICHOVA, Jitka. The biological and chemical variability of Yacon. J. Agric. Food Chem.,2006, vol. 54, no. 4, str. 1347-1352. ¢COBISS.SI-ID 3450906¥

6. WENNBERG, Tero, VOVK, Irena, VUORELA, Pia, SIMONOVSKA, Breda, VUORELA, Heikki. Useof Drylab for simulation of TLC separation and method transfer from TLC to HPLC. JPC, J.Planar Chromatogr. Mod. TLC, March/April 2006, vol. 19, no. 2, str. 118-123. ¢COBISS.SI-ID3494938¥

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7. @MITEK, Janko, VENTURINI, Peter. Key factors for knowledge transfer from public research :¢lecture¥. V: 15th international conference on management of technology ¢also¥ IAMOT2006, May 22-26, 2006, Beijing (China). East meets west : challenges and opportunities inthe era of globalization : book of abstracts ¢and conference proceedings¥. Beijing: TsinghuaUniversity, Research center for technological innovation, 2006, str. 173 (6 str. na CD-ROMu).¢COBISS.SI-ID 3494682¥


8. PRO[EK, Mirko, [MIDOVNIK, Andrej, FIR, Maja, GOLC-WONDRA, Alenka, @MITEK, Janko,KOSTANJEVEC, Bo{tjan, DON[A, Bo{tjan, VINDI[-ZELENKO, Brigita. Uporaba koencima Q10za u~inkovitej{o vzrejo ìvali in pridelavo ìvalskih tkiv s pove~ano vsebnostjo tega koencima: ¢slovenska patentna prijava¥ P-200600293, datum prijave 29.12.2006. Ljubljana: Urad RSza intelektualno lastnino, 2006. 17 str. ¢COBISS.SI-ID 3656986¥

9. PRO[EK, Mirko, [MIDOVNIK, Andrej, FIR, Maja, STRA@I[AR, Monika, GOLC-WONDRA, Alenka,ANDREN[EK, Samo, @MITEK, Janko. Nova vodotopna oblika koencima Q10 v oblikiinkluzijskega kompleksa z beta-ciklodekstrinom, postopek njegove priprave in njegova uporaba: ¢slovenski patent in patent z dopolnitvami¥, Patent {t. 21783, datum objave 31.12.2005,Patent {t. 21992, datum objave 31.10.2006. Ljubljana: Urad RS za intelektualno lastnino,2005/2006. 18 str. ¢COBISS.SI-ID 3656730¥


10. JAZBEC, Petra, Zupan~i~-Kralj, Lucija (mentor), Simonovska, Breda (komentor). Optimizacijaekstrakcije likopena iz razli~nih vzorcev : diplomsko delo. Ljubljana: ¢P. Jazbec¥, 2006. XV, 75f., ilustr. ¢COBISS.SI-ID 28072197¥

11. KITI], Milena, Gros, Nata{a (mentor), Vovk, Irena (komentor). Vpliv na~ina detekcije na analizneparametre v tankoplastni kromatografiji : diplomsko delo. Ljubljana: ¢M. Kiti}¥, 2006. 61 f.,ilustr. ¢COBISS.SI-ID 27732997¥

12. [TOR, Nata{a, Pavko, Aleksander (mentor), @mitek, Janko (komentor). Dolo~anje parametrovdrobljivosti substance klaritromicina kot kriterija ustreznosti za proizvodnjo farmacevtskihformulacij : diplomsko delo. Ljubljana: ¢N. [tor¥, 2006. VII, 54 f., ilustr. ¢COBISS.SI-ID 3494170¥


13. ER@EN, Evgen, NOVI^, Milko, STRLI^, Matija, VOVK, Irena. Slovene members of internationalscientific committee. 12th international symposium on separation sciences, Lipica, Slovenia,September 27-29, 2006.. ¢COBISS.SI-ID 3598874¥

14. STRLI^, Matija, ZUPANÎ^-KRALJ, Lucija, KRALJ CIGI], Irena, PROSEN, Helena, NOVI^, Milko,VOVK, Irena, MLAKAR, Anita, SUSI^, Robert, PUCKO, Danijela, TRAFELA, Tanja. Slovenemembers of organizing committee. 12th international symposium on separation sciences,Lipica, Slovenia, September 27-29, 2006. 2006. ¢COBISS.SI-ID 3599130¥

215



1. AMBRO@I^, Gabriela, @IGON, Majda. Supramolekularni poliuretani z azobenzenskimiskupinami = Supramolecular azobenzene polyurethanes. Mater. tehnol., 2006, letn. 40, {t.3, str. 99-105. ¢COBISS.SI-ID 3520026¥

2. ÛLIN, Jelena, [MIT, Ivan, VEKSLI, Zorica, AN@LOVAR, Alojz, @IGON, Majda. Phase morphologyof functionalized polyester polyurethanes. Effect of functional group concentration. Polym.Int., 2006, vol. 55, no. 3, str. 285-291. ¢COBISS.SI-ID 3435034¥

3. GRIÂR, Maja, @AGAR, Ema, KR@AN, Andrej, @IGON, Majda. Karakterizacija kopolimerovSEC in SEC-MALS asparaginske kisline in laktida = SEC and SEC-MALS characterization ofcopolymers of aspartic acid and lactide. Mater. tehnol., 2006, letn. 40, {t. 4, str. 161-165.¢COBISS.SI-ID 3557146¥

4. HUSKI], Miroslav, @IGON, Majda. Side chain liquid crystalline diethanolamine-based polyesterswith methoxy and/or nitroazobenzene mesogenic moieties. Liq. Cryst., 2006, vol. 33, no. 8,str. 883-890, ilustr. ¢COBISS.SI-ID 3616794¥

5. JASIUKAITYTE, Edita, OSTRAUSKAITE, Jolita, GRAZULEVICIUS, Juozas Vidas, JANKAUSKAS,Vygintas. Polymeric and low-molecular-mass glass-forming diphenylsulphone-basedhydrazones. J. Optoelectron. Adv. Mater., 2006, vol. 8, no. 3, str. 1323-1327. ¢COBISS.SI-ID3535130¥

6. KR@AN, Andrej, HEMJINDA, Sarunya, MIERTUS, Stanislav, CORTI, Andrea, CHIELLINI, Emo.Standardization and certification in the area of environmentally degradable plastics. Polym.Degrad. Stab., 2006, vol. 91, no. 12, str. 2819-2833. ¢COBISS.SI-ID 3636506¥

7. KR@AN, Andrej, KUNAVER, Matja`. Microwave heating in wood liquefaction. J. Appl. Polym.Sci., 2006, vol. 101, str. 1051-1056. ¢COBISS.SI-ID 3560474¥

L07Laboratorij za polimernokemijo in tehnologijo

Laboratory for PolymerChemistry and Technology

216


8. PREVEC, Gregor, @AGAR, Ema, @IGON, Majda. Carboxylated polyurethanes containinghyperbranched polyester soft segments. Kem. ind., 2006, vol. 55, no. 9, str. 365-372, graf.prikazi. ¢COBISS.SI-ID 3560986¥

9. RECELJ, Petra, GOREN[EK, Marija, @IGON, Majda. The influence of stabilization under variousconditions and subsequent treatment of polyester fabric on the quantity and compositionof extracted oligomers. Tex. Res. J., 2006, vol. 76, no. 4, str. 322-327. ¢COBISS.SI-ID 1656432¥

10. @AGAR, Ema, KR@AN, Andrej, ADAMUS, Grazyna, KOWALCZUK, Marek. Sequence distributionin microbial poly(3-hydroxybutyrate-co-3-hydroxyvalerate) co-polyesters determined by NMRand MS. Biomacromolecules, 2006, vol. 7, no. 7, str. 2210-2216. ¢COBISS.SI-ID 3544346¥

11. @AGAR, Ema, @IGON, Majda, PODZIMEK, [tepan. Characterization of commercial aliphatichyperbranched polyesters. Polymer, 2006, vol. 47, no. 1, str. 166-175. ¢COBISS.SI-ID 3409434¥

12. SVOBODA, Jan, BLAHA, Michal, SEDLAÊK, Jan, VOHLIDAL, Jiri, BALCAR, Hynek, MAV GOLE@,Ida, @IGON, Majda. New approaches to the synthesis of pure conjugated polymers. ActaChim. Slov., 2006, vol. 53, no. 4, str. 407-416. ¢COBISS.SI-ID 3634714¥

13. AN@LOVAR, Alojz. Poliuretani in poliuretan-se~nine. Kem. {oli, 2006, let. 18, {t. 3, str. 8-12.¢COBISS.SI-ID 3615002¥

14. HUSKI], Miroslav. Polimerni nanokompoziti. Kem. {oli, 2006, let. 18, {t. 3, str. 2-7. ¢COBISS.SI-ID 3614746¥


15. @AGAR, Ema, HUSKI], Miroslav, @IGON, Majda. Structure and molecular mass characterizationof commercial aliphatic hyperbranched polyesters : ¢invited lecture¥. V: IUPAC InternationalSymposium on Advanced Polymers for Emerging Technologies : commemorating the 30thanniversary of The Polymer Society of Korea, Busan, Korea, October 10-13, 2006 : proceedings.¢S.l.: Polymer Society of Korea¥, 2006, str. 114-115. ¢COBISS.SI-ID 3648794¥

16. ANTONOVI], Alan, KUNAVER, Matja`, JAMBREKOVI], Vladimir, KR@AN, Andrej, PERVAN,Stjepan, I[TVANI], Josip. Carbamide-formaldehyde adhesive systems modofoed with liquefiedwood. Part I, Acid catalyst method of wood liquefaction with various polyhydric alcohols :¢plenary lecture¥. V: Medzinarodna vedecka konferencia = international scientific conference,19.-20. september 2006, Zvolen, Slovenska republika ¢= Slovak Republic¥. Technologiespracovania dreva : ¢proceedings¥. Zvolen: Technicka univerzita vo Zvolene, 2006, str. 7-14.¢COBISS.SI-ID 3610906¥

17. BLAHA, Michal, MAV GOLE@, Ida, @IGON, Majda, VOHLIDAL, Jiri. Polyanilines : transformationof stoichiometric to catalytic polymerization : ¢lecture¥. V: PALINKO, Istvan (ur.). Samplingcatalysis research in the Pannonian region : proceedings of the 8th Pannonian internationalcatalysis symposium, Szeged, Hungary, July 4-7, 2006. ¢S.l.¥: Hungarian Zeolite Association,2006, str. 7-12. ¢COBISS.SI-ID 3659802¥

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22. RECELJ, Petra, @IGON, Majda, GOREN[EK, Marija. Procedure to reduce oligomer migrationduring polyester HT dyeing. V: SIMONÎ^, Barbara (ur.), MO@INA, Klementina (ur.), JELER,Slava (ur.), DEM[AR, Andrej (ur.). 37th International Symposium on Novelties in Textiles¢and¥ 2nd International Symposium on Novelties in Graphics ¢and¥ 7th InternationalSymposium of SCA: Colors of National Symbols, Ljubljana, Slovenia, 15-17 June 2006. Bookof proceedings. Ljubljana: Faculty of Natural Sciences and Engineering, Department of Textiles,2006, 4 f. ¢COBISS.SI-ID 1665136¥

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Laboratory for Inorganic Chemistryand Technology

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2O

5 mixed

V/Ce oxide and Fe2O

3. J. Electrochem. Soc., 2006, vol. 153, no. 1, str. A122-A126. ¢COBISS.SI-

ID 3404570¥


18. HRIBERNIK, Silvo, STAKNE, Kristina, SFILIGOJ-SMOLE, Majda, STANA-KLEINSCHEK, Karin,BELE, Marjan, JAMNIK, Janko. Nanodelci silicijevega dioksida kot prevleke vlaken. V: GLAVI^,Peter (ur.), BRODNJAK-VONÎNA, Darinka (ur.). Slovenski kemijski dnevi 2006, Maribor, 21.in 22. september 2006. Maribor: FKKT, 2006, 7 str. ¢COBISS.SI-ID 10720278¥

19. SFILIGOJ-SMOLE, Majda, STAKNE, Kristina, BELE, Marjan, HRIBERNIK, Silvo, VERONOVSKI,Nika, STANA-KLEINSCHEK, Karin, RIBITSCH, Volker. Nanocoatings for textiles. V: DRAGÊVI],Zvonko (ur.). 3rd International Textile, Clothing & Design Conference ¢also¥ ITC&DC, October8th to October 11th, 2006, Dubrovnik, Croatia. Magic world of textiles : book of proceedings.Zagreb: Faculty of Textile Technology, University of Zagreb, 2006, str. 109-113. ¢COBISS.SI-ID 10816534¥

20. @MITEK, Janko, VENTURINI, Peter. Key factors for knowledge transfer from public research :¢lecture¥. V: 15th international conference on management of technology ¢also¥ IAMOT2006, May 22-26, 2006, Beijing (China). East meets west : challenges and opportunities inthe era of globalization : book of abstracts ¢and conference proceedings¥. Beijing: TsinghuaUniversity, Research center for technological innovation, 2006, str. 173 (6 str. na CD-ROMu).¢COBISS.SI-ID 3494682¥


21. ERJAVEC, Bo{tjan, Pejovnik, Stane (mentor), Gaber{~ek, Miran (komentor). Kondenzatorji naosnovi elektri~nega dvo-sloja: tehnologija priprave in karakterizacija : diplomsko delo.Ljubljana: ¢B. Erjavec¥, 2006. 72 f., ilustr. ¢COBISS.SI-ID 27915013¥


22. JENKO, Monika, PRE[ERN, Vasilij, TRIPLAT, Joè, MIKEC, Darko, MA^KO[EK, M., ̂ OKL, Jernej,VODOPIVEC, Franc, VENTURINI, Peter, PEJOVNIK, Stane, BLINC, Robert, MIHAILOVI], Dragan,DROFENIK, Mihael, KOBE, Spomenka, SUVOROV, Danilo, KOSEC, Marija, @IGON, Majda,GASPERI^, Joè. ^lani znanstvenega odbora = Members of scientific committee. 14.konferenca o materialih in tehnologijah = 14th Conference on Materials and Technology.Portoro`, Slovenia, October 16-18, 2006. ¢COBISS.SI-ID 3607066¥

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231


L11Laboratorij za biosintezo in biotransformacijo

Laboratory for Biosynthesis and Biotransformation


1. BERGANT, Damijan, HOÊVAR, Marko, BE[I], Nikola, GLAVA^, Damjan, KORO[EC, Branka,CASERMAN, Simon. Hereditary medullary thyroid cancer in Slovenia - genotype-phenotypecorrelations. Wien. Klin. Wochenschr., 2006, vol. 118, no. 13/14, str. 411-416. ¢COBISS.SI-ID 3544858¥***

2. CASERMAN, Simon, KENIG, Sa{a, SLOANE, Bonnie F., LAH TURN[EK, Tamara. Cathepsin Lsplice variants in human breast cell lines. Biol Chem., 2006, vol. 387, str. 629-634. ¢COBISS.SI-ID 1612367¥***

3. DEBELJAK, Nata{a, FELDMAN, Laurie, DAVIS, Kerry L, KOMEL, Radovan, SYTKOWSKI, ArthurJ. Variability in the immunodetection of His-tagged recombinant proteins. Anal. Biochem.,2006, letn. 359, {t. 2, str. 216-223. ¢COBISS.SI-ID 3586842¥

4. KENIG, Maja, PETERNEL, [pela, GABERC-POREKAR, Vladka, MENART, Viktor. Influence of theprotein oligomericity on final yield after affinity tag removal in purification of recombinantproteins. J. Chromatogr., 2006, vol. A1101, no. 1/2, str. 293-306. ¢COBISS.SI-ID 3411994¥

5. KORO[EC, Branka, GLAVA^, Damjan, ROTT, Toma`, RAVNIK-GLAVA^, Metka. Alterations inthe ATP2A2 gene in correlation with colon and lung cancer. Cancer Genet. Cytogenet.,2006, letn. 171, {t. 2, str. 105-111. ¢COBISS.SI-ID 21912793¥***

6. NOVAK [TAGOJ, Mateja, COMINO, Aleksandra, KOMEL, Radovan. A novel GAL recombinantyeast strain for enhanced protein production. Biomol. Eng., 2006, vol. 23, no. 4, str. 195-199. ¢COBISS.SI-ID 3472410¥

7. PETERKA, Matja`, JARC, Marko, BANJAC, Marko, FRANKOVI^, Vida, BENÎNA, Katja, MERHAR,Mojca, GABERC-POREKAR, Vladka, MENART, Viktor, [TRANCAR, Ale{, PODGORNIK, Ale{.Characterisation of metal-chelate methacrylate monoliths. J. Chromatogr., 2006, vol. A 1109,no. 1, str. 80-85. ¢COBISS.SI-ID 3439642¥

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8. PUNGERÎ^, Galina, VIDETI^, Alja, PESTOTNIK, Anita, ZUPANI^-PAJNI^, Irena, ZUPANC, Toma`,BALA@IC, Joè, TOMORI, Martina, KOMEL, Radovan. Serotonin transporter gene promoter(5-HTTLPR) and intron 2 (VNTR) polymorphisms : a study on Slovenian population of suicidevictims. Psychiatr. Genet., 2006, vol. 16, no. 5, str. 187-191. ¢COBISS.SI-ID 3545882¥***

9. VIDETI^, Alja, PUNGERÎ^, Galina, ZUPANI^-PAJNI^, Irena, ZUPANC, Toma`, TOMORI, Martina,KOMEL, Radovan. Association study of seven polymorphisms in four serotonin receptor geneson suicide victims. Am. J. Med. Genet., Part B Neuropsychiatr. Genet., 2006, vol. 141B, no.6, str. 669-672. ¢COBISS.SI-ID 3546138¥***

10. VOUK, Katja, STRMECKI, Lana, BIDOVEC, Matja`, HUDLER, Petra, JEREB, Simona, ZUPANI^-PAJNI^, Irena, BALA@IC, Joè, LESKOVAR, Bo{tjan, HOJS, Radovan, KOMEL, Radovan. PKD1and PKD2 mutations in Slovenian families with autosomal dominant polycystic kidney disease.BMC Med. Genet., 2006, letn. 7, {t. 6, str. ¢1-26¥. ¢COBISS.SI-ID 20248025¥***

11. NOVAK [TAGOJ, Mateja, PODOBNIK, Marjetka. Kvasovke - tovarne rekombinantnih proteinov.Farm. vestn., 2006, letn. 57, no. 4, str. 235-240. ¢COBISS.SI-ID 3560730¥

12. CELLINI, Elena, NACMIAS, Benedetta, BRECELJ ANDERLUH, Marija, BADIA-CASANOVAS, Ana,BELLODI, Laura, BONI, Claudette, DI BELLA, Daniela, ESTIVILL, Xavier, FERNANDEZ-ARANDA,Fernando, FOULON, Christine, FRIEDEL, Susan, GABROV[EK, Mojca, GORWOOD, Philip,GRATACOS, Monica, GUELFI, Julien, HEBEBRAND, Johannes, HINNEY, Anke, HOLLIDAY, Jo,HU, Xun, KARWAUTZ, Andreas, KIPMAN, Amelie, KOMEL, Radovan, ROTELLA, Carlo Maria,RIBASES, Marta, RICCA, Valdo, ROMO, Lucia, TOMORI, Martina, TREASURE, Janet, WAGNER,Gudrun, COLLIER, David A., SORBI, Sandro. Case-control and combined family trios analysisof three polymorphisms in the ghrelin gene in European patients with anorexia and bulimianervosa : ¢association report¥. Psychiatr. Genet., 2006, vol. 16, no. 2, str. 51-52. ¢COBISS.SI-ID 3457818¥***

13. GALE[A, Katja, BRZIN, Joè, SABOTI^, Jerica, TURK, Du{an. Crystallization and preliminaryX-ray crystallographic analysis of the cysteine protease inhibitor clitocypin. ActaCrystallographica. F, Struct. Biol. Crystal. Commun., 2006, vol. 62, str. 10-12. ¢COBISS.SI-ID19600679¥***

14. KOMEL, Radovan. Uravnavanje delovanja genov z njihovim uti{anjem : Nobelova nagrada zafiziologijo in medicino 2006. Delo (Ljubl.), 12. okt. 2006, leto 48, {t. 237, str. 18, ilustr.¢COBISS.SI-ID 230612736¥

15. KOMEL, Radovan. Ali je projekt ^love{ki genom res zaklju~en? Proteus, maj-jun. 2006, letn.68, {t. 9/10, str. 452-454, ilustr. ¢COBISS.SI-ID 25373229¥

16. KOMEL, Radovan. Nobelova nagrada za fiziologijo in medicino za leto 2006. Proteus, dec.2006, letn. 69, {t. 4, str. 171-175, portreti in ilustr. ¢COBISS.SI-ID 25990957¥

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17. KOMEL, Radovan. Genske mikromreè : ¢vabljeno predavanje¥. V: @GAJNAR, Janez (ur.),NOVAKOVI], Srdjan (ur.), BE[I], Nikola (ur.), FRKOVI¥-GRAZIO, Snjeàna (ur.), [ERUGA, Bo{tjan(ur.), ZAKOTNIK, Branko (ur.). Geni in rak : zbornik. Ljubljana: Kancerolo{ko zdruènjeSlovenskega zdravni{kega dru{tva: Onkolo{ki in{titut: Zveza slovenskih dru{tev za boj protiraku, 2006, str. 28-30. ¢COBISS.SI-ID 3546906¥

18. REPNIK, Katja, POTO^NIK, Uro{, VASLE-PRERADOV, Tatjana, DROLE, Men~i, GABERC-POREKAR,Vladka. Izdelava strategije izolacije in renaturacije podalj{ane oblike rekombinantnegahumanega limfotoksina alfa (LT-±). V: GLAVI^, Peter (ur.), BRODNJAK-VONÎNA, Darinka(ur.). Slovenski kemijski dnevi 2006, Maribor, 21. in 22. september 2006. Maribor: FKKT,2006, 6 str. ¢COBISS.SI-ID 10755094¥



20. KOMEL, Radovan, Sekuli~, Mojca (ilustrator). Genetika : od dvojne vija~nice do kloniranja,U~benik za gimnazije in srednje tehni{ke {ole. 1. izd. Ljubljana: Rokus, 2006. 127 str., ilustr.ISBN 961-209-636-8. ¢COBISS.SI-ID 225752320¥

21. KOMEL, Radovan, Sekuli~, Mojca (ilustrator). Genetika : od dvojne vija~nice do kloniranja,Priro~nik za u~itelje. 1. izd. Ljubljana: Rokus, 2006. 59 str., ilustr. ISBN 961-209-635-X.¢COBISS.SI-ID 227286784¥


22. NOVAK [TAGOJ, Mateja, COMINO, Aleksandra, KOMEL, Radovan. Highly productiverecombinant yeast strains with modified galactose-regulated transcription : internationalapplication no. PCT/SI2006/000011, international filing date 14 April 2006, with internationalsearch report. Munich: European Patent Office, 2006. 18 str. ¢COBISS.SI-ID 3547162¥

23. NOVAK [TAGOJ, Mateja, COMINO, Aleksandra, KOMEL, Radovan. Visoko-produkcijskirekombinantni sev kvasovk s spremenjeno galaktozno regulacijo transkripcije : slovenski patent{t. 22056, datum objave 31.dec.2006. Ljubljana: Urad Republike Slovenije za intelektualnolastnino, 2006. 13 str. ¢COBISS.SI-ID 3290138¥

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24. KORO[EC, Branka, Ravnik-Glava~, Metka (mentor), Volav{ek, Metka (komentor). Vloga genovATP2A2 in ATP2A3 pri razli~nih vrstah malignih tumorjev : doktorska disertacija = The roleof ATP2A2 and ATP2A3 genes in different malignant tumours : phd thesis. Ljubljana: ¢B.Koro{ec¥, 2006. XVII, 90 f., graf. prikazi, tabele. ¢COBISS.SI-ID 230331392¥***

25. NOVAK [TAGOJ, Mateja, [trukelj, Borut (mentor), Comino, Aleksandra (komentor), Komel,Radovan (komentor). Heterologna ekspresija iz promotorja Gal1 v na~rtovanih mutantahkvasovke Saccharomyces cerevisiae = Heterologous expression in designed mutant strainsof yeast Saccharomyces cerevisiae using the Gal1 promoter : doktorska disertacija. Ljubljana:¢M. Novak [tagoj¥, 2006. 96 f., graf. prikazi, tabele. ¢COBISS.SI-ID 229690112¥


26. SMILOVI], Vanja, Menart, Viktor (mentor). Razvoj celi~ne linije za dolo~anje biolo{ke aktivnostiinterferonov : magistrska naloga = Development of cell line suitable for the determinationof biological activity of interferons : master of science thesis. Ljubljana: ¢V. Smilovi}¥, 2006.XI, 106 f., graf. prikazi, tabele. ¢COBISS.SI-ID 3515674¥

27. NOVAK [TAGOJ, Mateja, [trukelj, Borut (mentor), Comino, Aleksandra (komentor), Komel,Radovan (komentor). Heterologna ekspresija iz promotorja Gal1 v na~rtovanih mutantahkvasovke Saccharomyces cerevisiae = Heterologous expression in designed mutant strainsof yeast Saccharomyces cerevisiae using the Gal1 promoter : doktorska disertacija. Ljubljana:¢M. Novak [tagoj¥, 2006. 96 f., graf. prikazi, tabele. ¢COBISS.SI-ID 229690112¥

28. JAGER, Nata{a, [trukelj, Borut (mentor), Podobnik, Marjetka (komentor). Razvoj metode zaizolacijo izmenjevalnega dejavnika GRAB = Development of a method for isolation of anexchange factor GRAB : diplomska naloga, (Fakulteta za farmacijo, Ljubljana, Diplomskenaloge, 2098). Ljubljana: ¢Jager, N.¥, 2006. IX, 103 f., ilustr. ¢COBISS.SI-ID 1892465¥

29. LILEG TA[LER, Nata{a, Pavko, Aleksander (mentor), Menart, Viktor (komentor). Primerjavadolo~itve {tevila metabolno aktivnih celic M-NFS-60 po dveh metodah : diplomsko delo.Ljubljana: ¢N. Lileg Ta{ler¥, 2006. XV, 67 f., graf. prikazi, tabele. ¢COBISS.SI-ID 27355653¥

30. REPNIK, Katja, Poto~nik, Uro{ (mentor), Gaberc-Porekar, Vladka (komentor). Izdelava strategijeizolacije in renaturacije podalj{ane oblike rekombinantnega humanega limfotoksina alfa (LT-alfa) : diplomska naloga univerzitetnega {tudijskega programa, (Fakulteta za kemijo in kemijskotehnologijo, Diplomska dela univerzitetnega {tudija). Maribor: ¢K. Repnik¥, 2006. III, 52 f.,ilustr. ¢COBISS.SI-ID 10660886¥

31. RISTI^, Ajda, [trukelj, Borut (mentor), Menart, Viktor (komentor). Nekatere lastnosti neklasi~nihinkluzijskih teles rekombinantnega proteina hG-CSF = Some properties of non-classicalinclusion bodies of the recombinant protein hG-CSF : diplomska naloga, (Fakulteta zafarmacijo, Ljubljana, Diplomske naloge, 2131). Ljubljana: ¢Risti~, A.¥, 2006. 93 f., ilustr.¢COBISS.SI-ID 1928305¥

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32. [KULJ, Mihaela, Gunde-Cimerman, Nina (mentor), Menart, Viktor (komentor). Dolo~anje{tevila kopij plazmidov v bakteriji Escherichia coli : diplomska naloga : univerzitetni {tudij =Determination of plasmid copy number in Escherichia coli : graduation thesis : universitystudies. Ljubljana: ¢M. [kulj¥, 2006. XVI, 85 f., ilustr., graf. prikazi, pril. ¢COBISS.SI-ID 1592399¥


33. Acta chimica slovenica. Komel, Radovan (~lan uredni{kega odbora 1998-). Ljubljana: Slovenskokemijsko dru{tvo = Slovenian Chemical Society, 1993-. ISSN 1318-0207. ¢COBISS.SI-ID14086149¥

34. Proteus. Komel, Radovan (odgovorni urednik 2002-). Ljubljana: Prirodoslovno dru{tvoSlovenije, 1934-. ISSN 0033-1805. ¢COBISS.SI-ID 7547138¥


35. BEDINA ZAVEC, Apolonija. Organizacijski odbor. Seminar o preto~ni citometriji : ¢aparaturaEPICS Altra, Beckman Coulter¥. Ljubljana: Kemijski in{titut, 16. junij 2006. ¢COBISS.SI-ID3517466¥

36. KOMEL, Radovan. So-organizator simpozija. Genetika : simpozij za u~itelje srednjih {ol.Ljubljana: Biotehni{ka fakulteta Univerze v Ljubljani, 7.okt.2006. ¢COBISS.SI-ID 3666202¥


37. KOMEL, Radovan, Bo{njak, Dragica (oseba, ki intervjuva). Od to~ke ni~ do sto je morda {etiso~ korakov : temeljno raziskovanje na blastocistah. Delo (Ljubl.), 14.sep.2006, leto 48, {t.213, str. 19. ¢COBISS.SI-ID 3663642¥

38. KOMEL, Radovan, Kebri~, Katarina (oseba, ki intervjuva). Prilo`nosti za vklju~itev v evropskeraziskave je veliko : ¢za majhne dràve je pomembno mednarodno sodelovanje na znanstvenihpodro~jih, saj tako pridobijo ve~ finan~nih sredstev in nova spoznanja¥. Finance., 16. februar2006, {t. 32(2219), str. 24, fotografija avtorja. ¢COBISS.SI-ID 3461658¥

39. KOMEL, Radovan, ROZMAN, Damjana, Bo{njak, Dragica (oseba, ki intervjuva). Raziskovanjeaktivnosti delovanja organizmov in ìvljenja : ob obletnici Centra za funkcijsko genomiko inbio-~ipe. Delo (Ljubl.), 3. avg.2006, leto 48, {t. 178, str. 20. ¢COBISS.SI-ID 3662874¥

40. KOMEL, Radovan, Su{nik, Dragica (oseba, ki intervjuva). Odkriti gene gospodarje, “stikala”,ki odlo~ajo o ìvljenju ali smrti. Nedelo (Ljubl.), 22.okt.2006, leto 11, {t. 42, str. 18-19.¢COBISS.SI-ID 3663898¥

41. KOMEL, Radovan, [E[KO, Polona. Genetski servis : kaj nam prina{a napredek v znanosti.Mag (Ljubl.), 22. mar. 2006, letn. 12, {t. 12, str. 53-55. ¢COBISS.SI-ID 3467546¥

236


42. STREHOVEC, Tadej, KOMEL, Radovan. Ali ima Katoli{ka cerkev prav, ker jo skrbijo raziskavena zarodkih? Pro et contra. Ve~er (Marib.)., 4.avg.2006, let. 62, {t. 179 (18874), str. 4.¢COBISS.SI-ID 3664154¥

43. KOMEL, Radovan. Embrionalne mati~ne celice : ¢sodelovanje v radijski oddaji¥. Ljubljana:Radio [tudent, 16.okt.2006. ¢COBISS.SI-ID 3665178¥

44. KOMEL, Radovan, Bon~a, M. (oseba, ki intervjuva). Etika in uporaba embrionalnih mati~nihcelic v znanosti : oddaja Omizje. Ljubljana: TV Slovenija, 8.avg.2006. ¢COBISS.SI-ID 3664666¥

45. KOMEL, Radovan, STREHOVEC, Tadej, Bobovnik, Slavko (oseba, ki intervjuva). Pogovor ouporabi embrionalnih mati~nih celic : oddaja Odmevi. Ljubljana: TV Slovenija, 7.sep.2006.¢COBISS.SI-ID 3664922¥

***Narejeno v sodelovanju z Medicinsko fakulteto Univerze v Ljubljani /Done in collaboration with the Faculty of Medicine, University of Ljubljana, Slovenia

237



1. DREVEN[EK, Petra, POKLAR ULRIH, Nata{a, MAJERLE, Andreja, TUREL, Iztok. Synthesis,characterization and DNA binding of magnesium-ciprofloxacin (cfH) complex ¢Mg(cf)2¥

2·5H

2O.

J. Inorg. Biochem., 2006, vol. 100, str. 1705-1713. ¢COBISS.SI-ID 3184504¥

2. MANÊK KEBER, Mateja, JERALA, Roman. Structural similarity between the hydrophobicfluorescent probe and lipid A as a ligand of MD-2. FASEB J., 2006, vol. 20, no. 11, str. 1836-1842. ¢COBISS.SI-ID 3476506¥

3. MOHORÎ^, Martina, TEODOROVI^, Simona, GOLOB, Vera, FRIEDRICH, Joìca. Fungal andenzymatic decolourisation of artificial textile dye baths. Chemosphere, 2006, vol. 63, no.10, str. 1709-1717. ¢COBISS.SI-ID 3401498¥

4. MURESANU, Lucia, PRISTOV[EK, Primo`, LOHR, Frank, MANEG, Oliver, MUKRASCH, MarcoD., RUTERJANS, Heinz, LUDWIG, Bernd, LUCKE, Christian. The electron transfer complexbetween cytochrome c

552 and the Cu

A domain of the Thermus thermophilus ba

3 oxidase : a

combined NMR and computational approach. J. Biol. Chem., 2006, vol. 281, no. 20, str.14503-14513. ¢COBISS.SI-ID 3476250¥

5. PRISTOV[EK, Primo`, FRANZONI, Lorella. Stereospecific assignments of protein NMRresonances based on the tertiary structure and 2D/3D NOE data. J. Comput. Chem., 2006,vol. 27, no. 6, str. 791-797. ¢COBISS.SI-ID 3470618¥

6. [OLAR, Tina, LEGI[A, Matic. Citrate inhibition resistant form of 6-phosphofructo-1-kinasefrom Aspergillus niger. Appl. Environ. Microbiol., 2006, vol. 72, no. 7, str. 4515-4521.¢COBISS.SI-ID 3462170¥

7. ZWEYTICK, Dagmar, PABST, Georg, ABUJA, Peter M., JILEK, Alexander, BLONDELLE, Sylvie E.,ANDRA, Jorg, JERALA, Roman, MONREAL, Daniel, TEJADA DE GARAIZABAL, GuillermoMartinez de, LOHNER, Karl. Influence of N-acylation of a peptide derived from human

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Laboratory of Biotechnology

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lactoferricin on membrane selectivity. Biochim. Biophys. Acta, Biomembr., 2006, vol. 1758,no. 9, str. 1426-1435. ¢COBISS.SI-ID 3484698¥

8. JERALA, Roman. Pogled v prihodnost: Biokemija in molekularna biologija ~ez deset let.Kvarkadabra, januar 2006, str. ¢1-5¥. http://www.kvarkadabra.net/article.php/Biokemija-cez-10-let. ¢COBISS.SI-ID 3440666¥




10. PRISTOV[EK, Primo`. Semi-automatic NOE assignment of proteins - the program nmr2st :manual = Priro~nik za uporabo programskega paketa nmr2st za avtomatsko NMR asignacijoNOESY spektrov proteinov, (Delovno poro~ilo KI, 2372). Ljubljana: National Institute ofChemistry, 3 August 2006. 20 f. ¢COBISS.SI-ID 3547674¥


11. BLONDELLE, Sylvie E., JERALA, Roman, PRISTOV[EK, Primo`, MAJERLE, Andreja, ZORKO,Mateja, JAPELJ, Bo{tjan, BRANDENBURG, Klaus, ANDRA, Jorg, PORRO, Massimo, URIA, IgnacioMoriyon, LEON, Jose Leiva, JERALA, Roman, TEJADA DE GARAIZABAL, Guillermo Martinezde, ZWEYTICK, Dagmar, DEUTSCH, Gunter, LOHNER, Karl. Antimikrobielle Peptide =Antimicrobial peptide : Austrian patent application no. A 1165/2006 C07K. Vienna: AustrianPatent Bureau, July 10, 2006. ¢COBISS.SI-ID 3590682¥

12. LEGI[A, Matic, BENÎNA, Mojca. Improved metabolite/heterologous protein production :British patent application no. 0613176.7, filing date 01 July 2006. Newport ¢United Kingdom¥:The Patent Office, 2006. 65 str. ¢COBISS.SI-ID 3558682¥

13. LEGI[A, Matic, BENÎNA, Mojca, TEV@, Gregor, CAPUDER, Maja, [OLAR, Tina, OVEN, Darija.Mutated truncated mt-pfkA gene for the synthesis of active shorter fragment of 6-phosphofructo-1-kinase : international application no. PCT/SI2007/000007, filed on 28February 2007 = Mutirani skraj{ani gen mt-pfkA za sintezo aktivnega kraj{ega fragmenta 6-fosfofrukto-1-kinaze : mednarodna patentna prijava na osnovi slovenske prijave P-200600107.Geneva: WIPO - World Intellectual Property Organization, 2007. 28 str. ¢COBISS.SI-ID3458842¥

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14. PRISLAN, Jasmina, Legi{a, Matic (mentor). Vgraditev gena za intracelularni pH indikator vrazli~ne seve glive Aspergillus niger : diplomsko delo. Ljubljana: ¢J. Prislan¥, 2006. X, 57 f.,graf. prikazi, tabele. ¢COBISS.SI-ID 27916037¥

15. TINTA, Tinkara, Legi{a, Matic (mentor), Turk, Valentina (komentor). Vpliv ribogojnice naplanktonske bakterijske zdru`be v pelagialu Piranskega zaliva : diplomsko delo. Ljubljana: ¢T.Tinta¥, 2006. iX, 57 f, ilustr., graf. prikazi. ¢COBISS.SI-ID 1638479¥

16. KRESAL, Andreja, Majcen Le Marechal, Alenka (mentor), Brodnjak-Von~ina, Darinka(komentor), Jerala, Roman (komentor). Razbarvanje reaktivnih barvil z encimom lakazo :magistrsko delo, (Fakulteta za strojni{tvo, Magistrska dela). Maribor: ¢A. Kresal¥, 2006. XI,107 f., ilustr. ¢COBISS.SI-ID 10543894¥




18. JERALA, Roman, Cheber, Mairim (oseba, ki intervjuva). Uspeh slovenske ekipe na tekmovanjuraziskovalnih projektov iz sintezne biologije : ¢radijski intervju¥. Trst: Radio Trst A, 18.dec.2006.30 min. ¢COBISS.SI-ID 3628826¥

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1. KU[AR, Henrik, HOÊVAR, Stanko, LEVEC, Janez. Kinetics of the water-gas shift reactionover nanostructured copper-ceria catalysts. Appl. Catal., B Environ., 2006, vol. 63, str. 194-200. ¢COBISS.SI-ID 3393306¥

2. NAGABHUSHANA, Kyatanahali S., WEIDENTHALER, Christine, HOÊVAR, Stanko, STRM^NIK,Du{an, GABER[ÊK, Miran, ANTOZZI, Antonio L., MARTELLI, Gian Nicola. Preparation,characterization and properties of Pt-Cu Co-reduced and Pt-on-Cu skin type bimetallic carbon-supported (Vulcan XC72) electrocatalysts. J. New Mat. Electrochem. Systems, 2006, vol. 9,str. 73-81. ¢COBISS.SI-ID 3621658¥

3. PINTAR, Albin, BATISTA, Jurka. Improvement of an integrated ion-exchange/catalytic processfor nitrate removal by introducing a two-stage denitrification step. Appl. Catal., B Environ.,2006, vol. 63, str. 150-159. ¢COBISS.SI-ID 3408410¥

4. PODKRAJ[EK, Bo{tjan, GRGI], Irena, TUR[I^, Janja, BERÎ^, Gorazd. Influence of atmosphericcarboxylic acids on catalytic oxidation of sulfur(IV). J. Atmos. Chem., 2006, vol. 54, no. 2, str.103-120. ¢COBISS.SI-ID 3525914¥

5. VOSPERNIK, Matev`, PINTAR, Albin, LEVEC, Janez. Application of a catalytic membrane reactorto catalytic wet air oxidation of formic acid. Chem. Eng. Process., 2006, vol. 45, no. 5, str.404-414. ¢COBISS.SI-ID 3428122¥

6. ZEVNIK, Luka, BABI^, Matja`, LEVEC, Janez. Ultrasound speed and absorption study in near-critical CO

2 : a sensor for high-pressure application. J. Supercrit. Fluids, 2006, vol. 36, no. 3,

str. 245-253. ¢COBISS.SI-ID 3395610¥

L13Laboratorij za katalizo inreakcijsko inènirstvo

Laboratory for Catalysis andChemical Reaction Engineering

242



7. PINTAR, Albin, VOSPERNIK, Matev`, BERÎ^, Gorazd, LEVEC, Janez. Catalytic wet air oxidationof aqueous formic acid solutions in a ceramic membrane reactor : ¢lecture¥. V: MANTZAVINOS,Dionissios (ur.), POULIOS, Ioannis (ur.). Environmental applications of advanced oxidationprocesses ¢also¥ EAAOP-1, Chania, September 2006. e-Proceedings. Crete: Technical universityof Crete; Thessaloniki: Aristotle university of Thessaloniki, 2006, 8 str. ¢COBISS.SI-ID 3600922¥

8. PINTAR, Albin, VOSPERNIK, Matev`, LEVEC, Janez. Mathematical modeling of formic acidoxidation in a catalytic three-phase membrane reactor. V: BREDESEN, Rune (ur.), RADER,Henrik (ur.). Proceedings of the 9th International conference on inorganic membranes ¢also¥ICIM9, Lillehamer, Norway, June 25-29, 2006. Oslo ¢Norway¥: SINTEF, 2006, str. 201-204.¢COBISS.SI-ID 3506458¥


9. HOÊVAR, Stanko. Catalysis and chemical reaction engineering. V: RICHARDS, Ryan M. (ur.).Surface and nanomolecular catalysis. Boca Raton ¢FL, USA¥: Taylor&Francis Group, 2006, str.195-228. ¢COBISS.SI-ID 3486490¥


10. HOÊVAR, Stanko, KR@AN, Andrej. Ion-conducting composite membranes : European patentno. EP1685618, publication date 02 August 2006. Rijswijk: European Patent Office, 2006.¢COBISS.SI-ID 3559194¥


11. KOMEL, Matej, Levec, Janez (mentor). Numeri~no dolo~evanje parametrov prenosa toplotev strnjenih slojih : magistrsko delo. Ljubljana: ¢M. Komel¥, 2006. XVII, 128 f., ilustr. ¢COBISS.SI-ID 27747077¥


12. KOMEL, Matej, Levec, Janez (mentor). Numeri~no dolo~evanje parametrov prenosa toplotev strnjenih slojih : magistrsko delo. Ljubljana: ¢M. Komel¥, 2006. XVII, 128 f., ilustr. ¢COBISS.SI-ID 27747077¥


13. Acta chimica slovenica. Levec, Janez (~lan uredni{kega odbora 1998-). Ljubljana: Slovenskokemijsko dru{tvo = Slovenian Chemical Society, 1993-. ISSN 1318-0207. ¢COBISS.SI-ID14086149¥

14. Chinese journal of chemical engineering. Levec, Janez (~lan uredni{kega sveta 2000-). Beijing:Chemical Industry Press; Heidelberg; New York; Tokyo: Springer-Verlag Berlin, 1982-. ISSN1004-9541. ¢COBISS.SI-ID 2317850¥

243



1. GRILC, Viktor. Some Programs for Reduction of Environmental Pollution in Slovenia. Part I,Prevention/reduction of industrial atmospheric pollution. Acta Chim. Slov., 2006, vol. 53,no. 4, str. 527-532. ¢COBISS.SI-ID 3624986¥

2. GRILC, Viktor. Some Programs for Reduction of Environmental Pollution in Slovenia. Part II,Preliminary national list of dangerous substances for aquatic environment. Acta Chim. Slov.,2006, vol. 53, no. 4, str. 533-539. ¢COBISS.SI-ID 3625242¥

3. OJSTER[EK, Vlasta, SAMEC, Niko, GRILC, Viktor. MBO/BMO kot sodobna metoda predelavekomunalnih odpadkov - izku{nje v Sloveniji. Gospod. odpad., februar 2006, letn. 15, {t. 57,str. 10-17. ¢COBISS.SI-ID 3454234¥

4. GRILC, Viktor. Iz{la sta referen~na dokumenta za obdelavo odpadkov. Gospod. odpad., maj2006, let. 15, {t. 58, str. 3-6. ¢COBISS.SI-ID 3496730¥


5. GRILC, Viktor, HUSI], Muharem. Materialni tokovi odpadkov v Republiki Sloveniji : nastajanje,ravnanje in trendi : ¢vabljeno predavanje¥. V: Strokovno posvetovanje Ravnanje z odpadki’06, Ljubljana, 19. in 20. oktobra 2006. Zbornik predavanj. Ljubljana: ZTI - Zavod za tehni~noizobraèvanje, 2006, str. 1-13. ¢COBISS.SI-ID 3612442¥

6. GRILC, Viktor, ZUPANÎ^, Gregor Drago. Zakonodajne zahteve za posamezne vrste ravnanjaz odpadnim blatom biolo{kih ~istilnih naprav : ¢vabljeno predavanje¥. V: Strokovnoposvetovanje Ravnanje z odpadki ’06, Ljubljana, 19. in 20. oktobra 2006. Zbornik predavanj.Ljubljana: ZTI - Zavod za tehni~no izobraèvanje, 2006, str. 166-173. ¢COBISS.SI-ID 3661338¥

L14Laboratorij za procesno inènirstvo

Laboratory for Chemical Process Engineering

244


7. AMBRO@, Sonja, GRILC, Viktor. Stabilizacija odpadkov iz proizvodnje disperzijskih barv =Stabilization of wastes from dispersion paints production. V: GLAVI^, Peter (ur.), BRODNJAK-VONÎNA, Darinka (ur.). Slovenski kemijski dnevi 2006, Maribor, 21. in 22. september 2006.Maribor: FKKT, 2006, 9 str. ¢COBISS.SI-ID 3603226¥

8. BUÂR, Zdravko, GRILC, Viktor. Re{evanje problematike hlapnih organskih topil na primerupovr{inske za{~ite v avtomobilski industriji = Solving the problem of volatile organiccompounds in the case of surface treatment in car industry. V: GLAVI^, Peter (ur.), BRODNJAK-VONÎNA, Darinka (ur.). Slovenski kemijski dnevi 2006, Maribor, 21. in 22. september 2006.Maribor: FKKT, 2006, 10 str. ¢COBISS.SI-ID 3602202¥

9. HUSI], Muharem, GRILC, Viktor, FELE @ILNIK, Ljudmila. Iskustva i problemi pri akreditacijilaboratorija za karakterizaciju otpada postandardu ISO/IEC 17025 = Experiences related tointroducing standard ISO/IEC into a waste characterisation laboratory. V: MILANOVI], Zlatko(ur.). IX. me|unarodni simpozij Gospodarenje otpadom, Zagreb, 15.-18.11.2006 = IX.International symposium Waste management, Zagreb, November 15th - 18th, 2006. Zbornikradova. Zagreb: Gospodarstvo i okoli{, 2006, str. 897-908. ¢COBISS.SI-ID 3620634¥

10. [U[TAR, Aleksander, RU[IN, Debora, LIPOV[EK, Franc, GRILC, Viktor, FELE @ILNIK, Ljudmila.Regeneracija otapala iz otpadnih smjesa = Regeneration of solvents from waste mixtures. V:MILANOVI], Zlatko (ur.). IX. me|unarodni simpozij Gospodarenje otpadom, Zagreb, 15.-18.11.2006 = IX. International symposium Waste management, Zagreb, November 15th -18th, 2006. Zbornik radova. Zagreb: Gospodarstvo i okoli{, 2006, str. 141-148. ¢COBISS.SI-ID 3620378¥

11. GRILC, Viktor. Alternativni na~ini sodobnega ravnanja z odve~nim blatom biolo{kih ~istilnihnaprav za odpadne vode. V: KOMAC, Milica (ur.). î{~enje odpadnih voda ’06 : strokovnoposvetovanje, Ljubljana, 31. maja in 1. junija 2006 : zbornik predavanj. Ljubljana: Zavod zatehni~no izobraèvanje, 2006, str. 84-92. ¢COBISS.SI-ID 3489306¥

12. GRILC, Viktor, ZUPANÎ^, Gregor Drago, RO[, Milenko. Alternativni na~ini sodobnega ravnanjaz odve~nim blatom iz biolo{kih ~istilnih naprav. V: RO[, Milenko (ur.). ¢Simpozij z mednarodnoudele`bo¥ Vodni dnevi 2006, Portoro`, 18.-19. oktober 2006. Zbornik referatov. Ljubljana:Slovensko dru{tvo za za{~ito voda, 2006, str. 99-109. ¢COBISS.SI-ID 3661594¥


13. AMBRO@, Sonja, Grilc, Viktor (mentor). Stabilizacija odpadkov iz proizvodnje disperzijskihbarv : magistrsko delo. Ljubljana: ¢S. Ambro`¥, 2006. V, 78 f., ilustr. ¢COBISS.SI-ID 3380321¥

14. BUÂR, Zdravko, Grilc, Viktor (mentor). Izra~un emisij hlapnih organskih spojin za projektnovega vozila : diplomsko delo. Ljubljana: ¢M. Jeraj¥, 2006. 109, ¢4¥ f., ilustr. ¢COBISS.SI-ID27520005¥

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15. Kemija u industriji. Grilc, Viktor (~lan uredni{kega sveta 2005-). Zagreb: Hrvatsko dru{tvokemijskih inènjera i tehnologa, 1952-. ISSN 0022-9830. ¢COBISS.SI-ID 747524¥

16. Ujma. Husi}, Muharem (~lan uredni{kega sveta 1987-). Ljubljana: Ministrstvo za obrambo:Uprava RS za za{~ito in re{evanje, 1987-. ISSN 0353-085X. ¢COBISS.SI-ID 16348418¥

246


247


L15Nacionalni center za NMR spektroskopijovisoke lo~ljivosti - lokacija KI

National Centre for High ResolutionNMR Spectroscopy - Location NIC


1. GAZIVODA, Tatjana, WITTINE, Karlo, LOVRI], Iva, MAKUC, Damjan, PLAVEC, Janez, CETINA,Mario, MRVO[-SERMEK, Draginja, [UMAN, Lidija, KRALJ, Marijeta, PAVELI], Kre{imir,MINTAS, Mladen, RAI]-MALI], Silvana. Synthesis, structural studies, and cytostatic evaluationof 5,6-di-O-modified L-ascorbic acid derivatives. Carbohydr. Res., 2006, vol. 341, no. 4, str.433-442, graf. prikazi. ¢COBISS.SI-ID 3438874¥

2. HRASTAR, Robert, KA^, Milica, KO[IR, Iztok Joè. Vpliv sorte in lokacije na vsebnostksantohumola v hmelju = Influence of cultivar and location on the content of xanthohumolin hops. Hmelj. bilt., 2006, let. 13, str. 5-12. ¢COBISS.SI-ID 3270520¥

3. ZHU, Yuping P., PAN, Qingfeng, THIBAUDEAU, Christophe, ZHAO, Shikai K., CARMICHAEL,Ian, SERIANNI, Anthony S. ¢13C, 15N¥2-acetamido-2-deoxy-D-aldohexoses and their methylglycosides : synthesis and NMR investigations of J-couplings involving 1H, 13C, and 15N. J.Org. Chem., 2006, vol. 71, no. 2, str. 466-479. ¢COBISS.SI-ID 3419418¥

4. PAVLOVI^, Martin, LUO, Xinchao, KO[IR, Iztok Joè, VIRANT, Majda, GU, Fanghong.Expansion of the Chinese hop and brewing industry = Razvoj hmeljarstva in pivovarskeindustrije na Kitajskem. Hmelj. bilt., 2006, letn. 13, str. 61-69. ¢COBISS.SI-ID 566647¥


5. KOLAR, Mitja, NEMIV[EK, Marija, KO[IR, Iztok Joè. Dolo~anje K-acesulfama, saharina,benzojske in sorbinske kisline v ìvilih s teko~insko kromatografijo. V: GLAVI^, Peter (ur.),BRODNJAK-VONÎNA, Darinka (ur.). Slovenski kemijski dnevi 2006, Maribor, 21. in 22.september 2006. Maribor: FKKT, 2006, 12 str. ¢COBISS.SI-ID 10858518¥

6. [KET, Primo`, ^RNUGELJ, Martin, PLAVEC, Janez. Vpliv enovalentnih kationov na DNKstrukture G-kvadrupleksov = Influence of monovalent cations on DNA G-quadruplexstructures. V: GLAVI^, Peter (ur.), BRODNJAK-VONÎNA, Darinka (ur.). Slovenski kemijskidnevi 2006, Maribor, 21. in 22. september 2006. Maribor: FKKT, 2006, str. ¢1-9¥. ¢COBISS.SI-ID 3644698¥

248



7. HUD, Nicholas V., PLAVEC, Janez. The role of cations in determining quadruplex structureand stability. V: NEIDLE, Stephen (ur.). Quadruplex nucleic acids, (RSC biomolecular sciences).Cambridge: RSC Publishing, cop. 2006, str. 100-130. ¢COBISS.SI-ID 3622682¥

8. KIDRI^, Jurka, KO[IR, Iztok Joè. Characterization of the chemical composition of beveragesby NMR spectroscopy. V: WEBB, Graham Alan (ur.). Modern magnetic resonance. Dordrecht:Springer, 2006, str. 1575-1581. ¢COBISS.SI-ID 3663130¥




10. PLAVEC, Janez, Bo{njak, Dragica (oseba, ki intervjuva). Kako deluje velika biokemi~na tovarna- na{e telo : NMR - pogled v fizikalne, kemijske in strukturne lastnosti molekul. Delo (Ljubl.),13. jul. 2006, leto 48, {t. 160, str. 18. ¢COBISS.SI-ID 228299008¥

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Letno poročilo 2006 (pdf)