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INTERNATIONAL SEMINAR
“Recent Advances in Chemistry & Material Sciences (2020)”
In Commemoration of the 159th Birth Anniversary of Acharya Prafulla Chandra Ray
Month long Program for August, 2020
Organized by:
Indian Chemical Society
92, AcharyaPrafulla Chandra Road,
Kolkata-700 009, West Bengal, India
Phone: 91-033-2360 9497; Phone & Fax: 91-033-2350 3478
E-mail: [email protected]
Website: https://indianchemicalsociety.com
Platform: Google meet
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Advisory Committee
Professor G. D. Yadav, President
Professor R. D. Kaushik, Vice President
Professor Ashok K Jha, Vice President
Professor Chittaranjan Sinha, Honorary
Secretary
Professor Sudip Kumar Das, Honorary
Treasurer
Professor A C Bhasikuttan, Honorary Editor
Professor Sundargopal Ghosh, Honorary
Editor
Professor ChhandaMukhopadhyay,
Honorary Editor
Professor Suresh C. Ameta, Advisor
Professor Dulal C. Mukherjee, Advisor
Professor (Dr.) D. Banerjea, Advisor
Professor Jai P. Mittal, Advisor
Professor K. B. Pandeya, Advisor
Dr. D. S. Bhakuni, Advisor
Professor Ramesh Chandra, Advisor
Professor Sunil Kumar Talapatra, Advisor
Professor GirjeshGovil, Advisor
Professor M. C. Chattopadhyaya, Advisor
Professor R. N. Prasad, Advisor
ProfessorSukh Dev, Advisor
Professor Samir Biswas, Council Member
Dr. NibeditaChakrabarti, Council Member
Professor Asok Kumar Mallik, Council
Member
Dr. A. Anton Smith, Council Member
Professor K. Mohanan, Council Member
Professor Ch. VenkataRamana Reddy,
Council Member
Professor Sheo Satya Prakash, Council
Member
Professor MahendraNath Roy, Council
Member
Professor Ranjit K. Verma, Council Member
Professor Anand S. Aswar, Council Member
Dr. R. N. Jadeja, Council Member
Dr. R. K. Vatsa, Council Member
Professor K. R. Genwa, Council Member
Dr. RakshitAmeta, Council Member
Professor R. V. Singh, Council Member
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FOREWORD
The Seminar entitled “International Seminar on Recent Advances in Chemistry and Material Sciences (2020)” is being
organized to commemorate the 159th Birth Anniversary of Acharya Prafulla Chandra Ray, the doyen of Chemical Sciences in
India. This is 15th in the series of Symposium, the first one was held in 2006, as a part of Birth day celebration of Acharya
Prafulla Chandra Ray, founder President of the Indian Chemical Society.
The Indian Chemical Society, one of the oldest learned bodies of our national pride was established on May 09, 1924.
Acharya P. C. Ray, after returning from Edinburgh first joined the Presidency College, Kolkata in 1889 and later in 1916,
joined the Department of Chemistry, newly formed University College of Science, University of Calcutta as the Palit Professor
of Chemistry. Acharya Ray was intimately associated with the Indian Chemical Society till the last breath. The school of
chemical research established by Acharya Ray in the University College of Science, where he used to live in the later part of
his life, subsequently spread over the entire country through his many illustrious disciples.Acharya Ray had always strongly
advocated for effective interactions between industries and academia. He himself was the founder of Bengal Chemical and
Pharmaceutical Works Ltd. The development of Chemical and Pharmaceutical industries is one of the important areas to
uncover the job opportunities of Indian youths. “By his own contributions to science, but especially by his personal
influence, Sir Prafulla was, more than anyone else, responsible for the great development of scientific research in India
during the past fifty years.” Nature, 1944, 154, 76.
Acharya Prafulla Chandra Ray was born on August 02, 1861. The Indian Chemical Society solemnly observes this auspicious
day every year in a befitting manner. The programme of the International Seminar includes the publication of the special issue
on Medicinal Chemistry of the Journal of the Indian Chemical Society. This year we are going to observe the 159th Birth
Anniversary of Acharya Ray by organizing a month long International Event entitled “Recent Advances in Chemistry &
Material Sciences (2020)” to be held on August 02, 03, 08, 15, 22 and 29, 2020. The seminar is planned for the full month
of August; inauguration on 2nd August, birthday of Acharya Ray followed by 3rd August and subsequently every Saturday (8/8,
15/8, 22/8 and 29/8/2020) is organized on different themes of Material Chemistry (Convener : Dr. Gourisankar
Roymahapatra, HIT), Organic Chemistry (Convener : Dr. Mijanur Rahaman, CU), Analytical Chemistry (Convener : Dr.
Kamalika Sen, CU) and Physical Chemistry (Convener : Prof. Nikhil Guchhait, CU).
In organizing the Seminar we have received sincere co-operation from every corner, particularly the fellows, and many
organizations for their active participation. We are thankful to all of them. We are also thankful to the Endowment and Invited
speakers whose deliberations, we hope, will certainly elevate the academic standard of the Seminar to a new height, and to
all the distinguished chemists and the participants who responded to our appeal spontaneously in making the Seminar a
grand success, especially to four Conveners who shoulder the problem of organizing the seminar. The untiring efforts of all
the employees of the Indian Chemical Society in making various arrangements of the Seminar are duly acknowledged and
especially to Mr. Biplab Basu for web-platform management. Despite our best efforts there might be some lapses, for which I
sincerely tender my apology.
Professor Chittaranjan Sinha
Convener of the Symposium & Honorary Secretary, Indian Chemical Society
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Programme Details
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Seminar-1 (Day-1)
2nd August (10:00 am – 06:00 pm)(IST)
10:00-10:20 am: Garlanding to Acharya P.C. Ray in Head Quarter
&Address by Prof. G. D. Yadav, President of ICS
10:20-10:30 am: Keynote Address by Prof. D. C. Mukherjee
10:30-10:35 am: Opening of Special Issue of the Journal of Indian Chemical Society
By Prof. Ashutosh Ghosh, Vice-Chancellor, Green University
&
Opening of Book of Abstracts of the International Seminar
By Prof. Debasis Das, Registrar, Calcutta University
10:35-10:55 am: Scientific Address by Prof. Debprasad Chattopadhyay, Guest Editor, JICS
10:55-11:15 am: Scientific Address by Prof. Asit K. Chakraborti, Guest Editor, JICS
11:15-11:25 am: Address by, Prof. Chittaranjan Sinha, Honorary Secretary, ICS
11:25-11:30 am: Vote of thanks by Prof. Sudip K. Das, Honorary Treasurer, ICS
Session- I
Endowment Lectures
Chairman: Prof. G. D. Yadav, President, Indian Chemical Society
11:30 -12:00 am: ‘Acharya J C Ghosh Memorial Award 2018’ Lecture
Professor Uday Maitra, IISc., Bangalore
12.00-12.30pm: ‘Professor P K Bose Memorial Award 2017’ Lecture
Professor S Natarajan, IISc., Bangalore
12:30-1:00 pm: ‘Professor A. K. Chandra Memorial Award 2018’ Lecture
Professor K L Sebastian, IISc., Bangalore
1:00-1:30 pm: ‘Professor P K Bose Memorial Award 2018’ Lecture
Professor Abu T Khan, IIT Guwahati
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Session- II
Poster Presentation & Judgment
1:30-2:30 pm: Video of Poster (5 min duration) will be submitted on or before 27/07/2020, Judges in
different specialized group will judge Followed by online queries
Session- III
Invited Lectures
Chairperson: Prof. Samaresh Bhattacharya, Jadavpur University, Kolkata
2:30-3:00 pm: Prof. J. Otsuki, College of Science and Technology, Nihon University, Tokyo, Japan.
3:00-3.30 pm: Dr. S. S. Katti, Director General ONGC Energy Centre, Delhi.
Session-IV
Award Oral Presentation & Judgment
3:30-5:30 pm: 12 competitors (8 min presentation +2 min discussion)
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Seminar-1 (Day-2)
3rdAugust (10:00 am – 06:00 pm)(IST)
Session-V
Invited Lectures
Chairperson: Dr. Gourisankar Roymahapatra, Haldia Institute of Technology, Haldia
10:00-10:30 am: Prof. Alokesh Bisai, IISER, Kolkata.
10:30-11.00 am: Dr.Santanav Giri, Haldia Institute of Technology, Haldia.
11:00-11.30 am: Dr.Jhimli Bhattacharyya, National Institute of Technology, Nagaland.
11:30-12.00 am: Prof. Chittaranjan Sinha, Head, Department of Chemistry, Jadavpur University
Session- VI
Endowment Lectures
Chairman: Prof. G. D. Yadav, President, Indian Chemical Society
12.00-12.30 pm:‘Dr. Basudev Banerjee Memorial Award 2017’ Lecture
Prof. Swagata Dasgupta, IIT Kharagpur
12:30-1:00 pm:‘Professor D Nasipuri Memorial Award 2018’ Lecture
Prof. S P Goswami, IIEST Shibpur, Howrah
Session- VII
Special Lecture -1
Chairperson: Prof. Susanta Lahiri, SINP, Kolkata
1.00-2.00 pm:Climate Change and Energy & material Sources: Green Chemistry & Engineering in Carbon
Neutral and carbon Negetive Economy
By Prof. G. D. Yadav, President, Indian Chemical Society
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Session- VIII
Endowment Lecture
Chairperson: Prof. G. D. Yadav, President, Indian Chemical Society
2:30-3:30 pm: ‘Acharya Prafulla Chandra Ray Memorial Award’ Lecture, 2018
By Prof. Santanu Bhattacharya, Director, IACS, Kolkata
Session- IX
Industry - Academia Meet
Chairperson: Prof. G. D. Yadav, President, Indian Chemical Society
4:35-5:50 pm: Dignitaries from Industry and Academy
Dr. Amitava Pramanik, IISc, Bangalore
Dr SSV Ramakumar, Indian Oil
Dr Ajit Sapre, Reliance Industries Ltd
Dr Sanjeev S Katti, ONGC Energy Centre
Shri Samir Somaiya, Godavari Biorefineries
Dr Rakesh Bandichor, Dr Reddy’s Lab
Dr Raajshekhar Kinnavar, Rallis.
Session- X
Special Lecture 2
Chairman: Prof. D. C. Mukherjee, Advisor, Indian Chemical Society
5:50-6:20 pm: Dr.Asit K.Chakraborti, Visiting Faculty, IIT Ropar, Punjab
6:20-6:40 pm: Valediction & Feed back
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Seminar-2
8thAugust 2020 (02:00 pm – 10:00 pm) (IST)
Theme: Material Chemistry
Address by Convener: 02:00 pm - 02:05 pm
Address by President ICS: 02:05 pm – 02:15 pm
Session- I
(Invited Lectures)
Chairperson:
Invited talk -1: 02:15 pm – 02:45 pm
“Biomimetic Nanomaterials & Composites: Learning from Nature”
By Prof. Arvind Sinha, CSIR-National Metallurgical Laboratory,
Jamshedpur, India
Invited talk -2: 02:50 pm – 03:20 pm
“Green hydrogen from Proton Exchange Membrane water electrolysis: areview of recent developments in critical
materials and operatingconditions”
By Prof. S. Vasudevan, CSIR - Central Electrochemical Research
Institute, Karaikudi, India
Invited talk -3: 03:25 pm – 03:55 pm
“Polysaccharides/oligosaccharide-based gels as drug carriers”,
By Dr. Sagar Pal, IIT-ISM Dhanbad, India
Session- II
Poster Presentation & Tea Break: 04:00 pm – 05:30 pm
Session- III
(Invited Lectures)
Chairperson: Prof. Surajit Chattopadhyay, Kalyani University
Invited talk -4: 05:30 pm - 06:00 pm (IST)
11
“Growth of Semiconductor Quantumdots in Glasses & theirFunctionality as a Photocatalyst for Hydrogen
Production Under SolarLight”
By Dr. Bharat B KaleDirector & DG (A), C-MET, Pune, India.
Invited talk -5: 06:00 pm - 06:30 pm
‘Molecular - ion SIMS: An Innovative Chemical Approach for
Compositional Analysis of Quantum Structures’
By Prof. Purushottam Chakraborty, Adjunct Professor, University of
Pretoria, South Africa.
Invited talk -6: 06:30 pm - 07:00 pm (IST)
“Solid State Technology for the Design of Smart Materials”
By Prof. Javier Ellena, São Carlos Institute of Physics – University of
São Paulo. Av. Trabalhador Sãocarlense, São Carlos/SP - Brazil.
Invited talk -7: 07:00 pm - 07:30 pm
“In silico optimization of antimicrobial peptide enables combinatorial
exploration for novel compounds with anti-infectious activities”
By Prof. Octavio Luiz Franco, Centro de Análises Proteômicas e
Bioquímicas, Pós-Graduação em Ciências Genômicas e Biotecnologia
Universidade Católica de Brasília, Brasília-DF, Brazil
Session- IV
Oral Presentation: 07:30 pm – 09:30 pm
Address by Secretary ICS: 09:30 pm - 09:35 pm
Vote of Thanks by Convener: 09:35 pm - 09:40 pm
Convener: Dr. Gourisankar Roymahapatra,
Haldia Institute of Technology,
E-mail: [email protected]; M – 7001316547
12
Seminar-3
15th August 2020 (10:00 am – 09:00 pm) (IST)
Theme: Orthogonality in Organic, Polymer and SupramolecularChemistry
Session- I
Address by Convener: 10:00 am - 10:05 am
Address by President, ICS: 10:05 am – 10:15 am
Poster Presentation: 10:15 am – 12:10 pm
Oral Presentation: 12:10 pm – 01:10 pm
Lunch Break: 01:10 pm – 02:00 pm
Session- II
(Invited Lectures)
Address by Convener: 02:00 pm - 02:05 pm
Address by Prof. D C Mukherjee
Advisor, ICS: 02:05 pm – 02:15 pm
Chairperson: Professor D C Mukherjee, Advisor, Indian Chemical Society
Invited talk -1: 02:15pm – 02:45 pm
“Orthogonal Chemistry: Recent Applications in Analyte Detection”
By Prof. Amit Basak, IIT Kharagpur, India
Invited talk -2: 02:50 pm – 03:20 pm
“Visible Light Developments of Tribromides- A key to
Dearomatisation”
By Dr. Debayan Sarkar, NIT Rourkela, Odisha, India
Session- III
Oral Presentation: 03:25 pm – 04:50 pm
13
Session- IV
(Invited Lectures)
Chairperson: Dr. Samit Guha, Jadavpur University, Kolkata
Invited Talk-3: 4.55 pm-5.25 pm
“Systems Chemistry: How complexity emerges from chemistry?”
By Dr. Dibyendu Das, IISER, Kolkata India
Invited talk -4: 05:30 pm - 06:00 pm
“Reactive Self-Assembly of Polymers and Proteins for Therapeutic
Applications”
By Prof. S. Thayumanavan, University of Massachusetts, Amherst,
USA
Invited talk -5: 06:05 pm - 06:35 pm
“Macromolecular Assemblies by Orthogonal Halogen Bonding and
Other, Directional Interactions”
By Dr. Anindita Das, IACS, Kolkata, India
Invited talk -6: 06:40 pm - 07:10 pm
“Solving Society’s Grandest Challenges using Synthetic Biology”
ByProf. Vikramaditya G Yadav, University of British Coloumbia,
Canada
Session- V
Oral Presentation: 07:15 pm – 08:15 pm
Address by Secretary ICS: 08:15 pm - 08:20 pm
Vote of Thanks by Convener: 08:20 pm - 08:25 pm
Convener: Dr. Mijanur Rahaman Molla,
University of Calcutta, E-mail: [email protected]; M – 9239018512
14
Seminar-4
22nd August 2020 (10:00 am – 08:00 pm) (IST)
Theme: Horizons of Separation Chemistry
Session- IA
Session- IB
Address by Honorary Secretary: 10:00 am - 10:05 am
Address by Convener: 10:00 am - 10:05am
Oral Presentation: 10:05 am-12:30 pm
Poster Presentation: 12:30 pm-01:30 pm
Oral Presentation: 10:05 am-12:30 pm
Poster Presentation: 12:30 pm-01:30 pm
Lunch Break: 01:30pm – 02:00pm
Session- II
(Inaugural Lecture)
Address by the President, ICS
Chairperson: Professor D C Mukherjee, Advisor, Indian Chemical Society
Inaugural Lecture:02:05pm – 02:25 pm
By Prof. S. M. Khopkar, Indian Institute of Technology Bombay, India
Session- III
(Invited Lectures)
Chairperson: Professor Susanta Lahiri, Saha Institute of Nuclear Physics, Kolkata
Invited Talk -1:02:30 pm – 03:00 pm
“Processes based on ionicliquidsto purify biopharmaceuticals”
By Dr.Mara G. Freire, CICECO - Aveiro Institute of Materials, Chemistry Department,
University of Aveiro, 3810-193 Aveiro, Portugal
15
Invited Talk -2:03:05 pm - 03:35 pm
“Separating nuclear isomers and isotopes of the same element – the comeback of hot atom chemistry?”
By Dr. Antonia G. Denkova, Radiation Science and Technology, Delft University of
Technology, Netherlands.
Invited Talk -3:03:40 pm - 04:10 pm
“Use of extraction chromatography for the selective separation of elements”
By Dr.Aude Bombard, TrisKem International, 3 rue des Champs Geons, 35170 Bruz,
FRANCE
Session- IV
Poster Presentation: 04:15 pm - 05:30 pm
Session- V
(Invited Lecture)
Chairperson: Professor Jayati Datta, Heritage Institute of Technology, Kolkata
Invited Talk -4:05:30 pm - 06:00 pm
“Engineering an aqueous energy dense MnO2 Zn battery to challenge Li ion dominance”
By Dr. Gautam G Yadav, Advanced Battery Research, Urban Electric Power, New York,
USA
Address by Honorary Secretary, ICS:06:00 pm - 06:05 pm
Vote of Thanks by Convener:06:05 pm - 06:10 pm
Convener: Dr.Kamalika Sen,
Department of Chemistry, University of Calcutta E-mail: [email protected]; M –916329514
16
Seminar-5
29th August 2020 (10:00 am – 08:00 pm) (IST)
Theme: Recent Trend in Physical Chemistry Research
Session- IA
Session- IB
Address by Honorary Secretary: 10:00 am - 10:05 am
Address by Convener: 10:00 am - 10:05am
Poster Presentation: 10:05 am-12:30 pm
Oral Presentation: 12:30 pm-01:30 pm
Poster Presentation: 10:05 am-12:30 pm
Oral Presentation: 12:30 pm-01:30 pm
Lunch Break: 01.30 pm – 02.00 pm
Session- II
Chairperson: Professor A C Bhasikuttan, BARC, Mumbai
Invited talk - 1:02:00 pm – 02:30 pm
“Linear Free Energy Relationships with particular reference to MnIIcatalyzedPeriodate
Oxidation of Aromatic Amines”
By Prof. R. D. Kausik, GurukulKangri University, India
Invited talk -2:02:35 pm – 03:05 pm
“Exploration on the comparative binding aspects of the bio-flavonoid fisetin with triple and double
helical forms of RNA”
By Prof. SumanDas, Department of Chemistry, Jadavpur University, India
Invited talk - 3:03:10 pm - 03:40 pm
“A stochastic algorithmic approach towards the study of reaction path construction and
coulomb explosion in clusters”
By Prof. Pinaki Chaudhury, Department of Chemistry, University of Calcutta, India
Invited talk - 4:03:45 pm - 04:15 pm
“From fluorogens to fluorophores through aggregation, complexation and crystalization”
ByProf. Anindya Dutta, Department of Chemistry, IITBombay, India
17
Session- III
Oral/Poster Presentation: 04:20 pm - 05:00 pm
Session- IV
Chairperson: Prof. Debasis Mukhopadhyay, University of Calcutta
Invited talk - 5:05:00 pm - 05:30 pm
“Electrocatalytic CO2 reduction: Overview, Challenges and Perspectives”
By Dr.SoumyabrataRoy, Post Doctoral Research Fellow, Ajayan Research Group, Materials Science
& Nanoengineering, MEB 125, Rice University, USA
Invited talk -6:05:35 pm - 06:05 pm
“Surface modifying macromolecules (SMMs): Synthesis, characterizations, and applications for polymeric membrane materials” By Prof. Dipak Rana, Industrial Membrane Research Institute, Department of Chemical and Biological Engineering, University of Ottawa, Ottawa, Canada
Valedictory Session
Address by the President, ICS: 06:10 pm - 06:30 pm
Address by the Honorary Secretary, ICS: 06:30 pm - 06:50 pm
Vote of Thanks by Convener:06:50 pm - 06:55 pm
Convener: Prof. Nikhil Guchhait,
Department of Chemistry, University of Calcutta, India E-mail: [email protected]; M – 8013468082
18
List of Contents
1. Endowment Lectures (Page 19 - 26)
2. Invited Lectures (Page 27 - 47)
3. Award Papers
Award Oral (Page 49 - 85)
Award Poster (Page 87 - 97)
4. Contributory Papers
Oral Presentation (Page 99 - 168)
5. Contributory Papers
Poster Presentation (Page 170 - 219)
6. Acknowledgement (Page 220)
7. Author Index (Page 221-223)
19
Acharya P. C. Ray Memorial Award Lecture (2018)
How to Sense Sugars?
Santanu Bhattacharya
Indian Association for the Cultivation of Science, Kolkata &Indian Institute of Science,
Bangalore
Carbohydrates or Sugar molecules have a potential information content that is several orders of magnitude higher than any
other biological macromolecule.
This variety of carbohydrate structures results from the wide range of different monosaccharides (> 100 if all variations are
considered) from which they are composed, and the different ways in which these monomers can be glycosidically joined.
Thus, even a small number of monosaccharide units can provide a large number of different oligosaccharides (also termed
glycans), including branched structures (a unique feature amongbiomolecules).
Not only sugar is important for manifestation of metabolic disorders or other endocrinology related issues, various sugar
derivatives are also important drugs and drug intermediates.
Accordingly it is important to develop rational design of sugar molecular sensors. In this lecture, I shall present the scope of
this research activity with some of our recent work.
20
Acharya J C Ghosh Memorial Lecture (2018)
Nanostructured Materials fromBile Salt derived Metallohydrogels
Uday Maitra
Department of Organic Chemistry
Indian Institute of Science, Bangalore 560 012, India
Abstract –Functional molecular gels have been extensively investigated owing to their potential applications in various fields
such as biomaterials, sensing, optoelectronics etc. Among many known gelators, many bile acid derivatives have been shown
to form self-assembled fibrillar networks (SAFINs), eventually leading to the immobilization of solvent molecules around them.
We have recently synthesized a variety of metallogels using bile salts. The use of these novel soft materials for the design of
nanostructured materials, luminescent hydrogels and enzyme/biomolecular sensors will be presented in this lecture.
Yellow photoluminescent CdSe QDs prepared at room temperature
Recent Publications
Gorai, T.; Maitra, U. J. Mater. Chem. B2018, 6, 2143-2150; Chakrabarty, A.; Raffy, G.; Maity, M.; Gartzia‐Rivero, L.; Marre,
S.; Aymonier, C.; Maitra, U.; Del Guerzo, A. Small, 2018, 1802311; Chatterjee, S.; Maitra, U. Nanoscale, 2017, 9, 13820-
13827; Gorai, T.; Maitra, U. Angew. Chem. Int. Ed. Engl.2017, 56, 10730-10734; Chatterjee, S.; Maitra, U. J. Mater. Chem. C,
2017, 5, 4977-4984; Gorai, T.; Maitra, U. ACS Sens., 2016, 1, 934–940; Chakrabarty, A.; Marre, S.; Landis, R.F.; Rotello,
V.M.; Maitra, U.; Del Guerzo, A.; Aymonier, C. J. Mater. Chem. C, 2015, 3, 7561-7566; Laishram, R.; Bhowmik, S.; Maitra, U.
J. Mater.Chem.C, 2015, 3, 5885-5889; Maity, M., Maitra, U., J. Mater.Chem.A., 2014, 2, 18952; Bhowmik, S., Gorai, T.,
Maitra, U. J. Mater.Chem. C., 2014, 2, 1597-1600; Bhowmik, S., Maitra, U. Chem. Commun,2012, 48, 4624; Chakraborty, A.;
Maitra, U.; Das, A.D. J. Mater.Chem., 2012, 22, 18268; Banerjee, S., Kandanelli, R., Bhowmik, S., Maitra, U. Soft Matter2011,
7, 8207.
21
Professor P K Bose Memorial Lecture (2018)
Exploration of Nitro-alkene in Organic Synthesis
Abu T. Khan
Department of Chemistry
Indian Institute of Technology Guwahati, Guwahati-781 039, Assam, India.
E-mail: [email protected]
Nitro-alkene or nitro-olefin is an extremely useful and potential synthetic precursor,and it has been extensively used in organic
synthesis particularly for construction of heterocycles.1 Owing to its remarkable chemical reactivity, it is also called as
‘Synthetic Chameleon.’ These are used in Michael-Addition reaction,2a Diels-Alder reaction,2b Morita-Baylis–Hillman
reaction,2c Friedel-Craft alkylation2d andStetter reaction.2e Inthis lecture,some of our efforts toward synthesis of new organic
molecules will be discussed using nitro-alkene as key building block.3
Nitroalkene/Nitro-olefin New Organic Molecules
References
1. A. Z. Halimehjani, I. N. N. Namboothiri, S. E. Hooshmand, RSC Adv., 2014, 4, 51794 and references therein.
2. (a)T. Arai, A. Mishiro, N. Yokoyama, K.Suzuki, H. Sato, J. Am. Chem. Soc. 2010, 132, 5338. (b) N. Ono, H. Miyake, A.
Kamimura, A. Kaji, J. Chem. Soc., Perkin Trans. 1,:1987, 1929. (c) M. Dadwal, R. Mohan, D. Panda, S. M. Mobin, I. N. N.
Namboothiri, Chem. Commun., 2006, 338. (d) T-Y. Liu, H-L.Cui, Q. Chai, J. Long, B-J. Li, Y. Wu, L-S. Ding, Y-C. Chen,
Chem. Commun. 2007, 2228. (e)D. A. DiRocco,K. M. Oberg, D. M. Dalton, T. Rovis, J. Am. Chem. Soc.2009. 131, 10872.
3. (a) S. Ali, R. Gattu, V. Singh, S. Mondal, A. T. Khan, G. Dubey, P. V. Bharatam,Org. Biomol. Chem. 2020, 18, 1785, (b) R.
Gattu, S. Mondal, S. Ali, A. T. Khan, Org. Biomol. Chem. 2019, 17, 347. (c) R. Gattu, S. Bhattacharjee, K. Mahato, A. T.
Khan, Org. Biomol. Chem., 2018, 16, 3760. (d) S. Bhattacharjee, R. Gattu, A. T. Khan, ChemistrySelect, 2018, 3, 4760. (e) K.
Mahato, P. R. Bagdi, A. T. Khan, Org. Biomol. Chem. 2017, 15, 5625. (f) S. Bhattacharjee, A. T. Khan, Tetrahedron Lett.,
2016, 57, 1831. (g) S. Bhattacharjee, A. T. Khan, Tetrahedron Lett., 2016, 57, 2994. (h) P. R. Bagdi, R. Sidick Basha, M. Lal,
A. T. Khan, Chem. Lett., 2013, 42, 939. (i) A.T. Khan, M. Lal, P. R. Bagdi, R. Sidick Basha, P. Saravanan, S. Patra,
Tetrahedron Lett., 2012, 53, 4145.
22
Professor A K Chandra Memorial Lecture (2018)
Energy Transfer in Nano-sized Systems
K.L. Sebastian
Indian Institute of Technology Palakkad
Palakkad 678557
Abstract: We discuss the process of resonance energy transfer from fluorescent dye molecules that serve as energy donors
to three types of energy acceptors namely, a metal nanoparticle, a graphene sheet and carbon nanotubes. In all the cases,
we evaluate the rate of energy transfer and study its dependence on the distance between the donor and the acceptor. For
the case of energy transfer from the dye fluorescein to a 1.4 nm diameter gold nanoparticle, we find that the rate follows the
usual Forster type R-6 distance dependence at large distances. But, at short distances, the rate follows an R-n dependence
with n>6. This is attributed to the effect of quadrupolar and octupolar modes of excitation of the nanoparticle. For the case of
energy transfer from the dye pyrene to graphene, we find a (distance)-4 dependence of the rate. Our analysis implies that for
the case of pyrene kept at a distance z above the plane of graphene, fluorescence quenching can be experimentally
observed up to a distance of 300 Å, which is quite large in comparison with the traditional FRET limit (100 Å). Recent
experiments have in fact observed fluorescence quenching of dyes near graphene. Further, the process has been found to be
very useful in fabricating devices based on graphene, in eliminating fluorescence signals in resonance Raman spectroscopy
and in visualising graphene sheets based on fluorescence quenching microscopy. In the case of transfer to the single-walled
carbon nanotubes, we find both exponential and (distance)-5 behaviour. For the case of metallic nanotubes, when the
emission energy of the fluorophore is less than a threshold, the dependence is exponential. Otherwise, it is (distance)-5. For
the case of semiconducting nanotubes, we find that the rate follows an exponential dependence if the amount of energy that
is transferred can excite only the excitonic transition of the tube. However, if any other band gap transition is allowed, the rate
follows a (distance)-5 dependence. For the case of transfer from pyrene to a nanotube, we find that the rate has a (distance)-
5 dependence and energy transfer is appreciable up to a distance of 175 Å. Finally we predict that if one dopes graphene, the
distance dependence has a crossover from power law to exponential, and this has been confirmed recently. We have
calculated the quenching of vibrational excitations and calculated the linewidth for electronic and vibrational excitations of
molecules in the vicinity of graphene, using a Fano type approach.
23
Professor D. Nassipuri Memorial Award Lecture (2018)
Total Asymmetric Synthesis of the New Stereoisomer(2'R, 3'R) of the
quinoxaline analogue and the dephospho Form Z of the molybdenum
cofactor (Moco) and a New synthesis of its Form B along with a series of New pterin
dithiolenes
Shyamaprosad Goswami
Indian Institute of Engineering Science & Technology Shibpur, Howrah
Molybdenum is the only second row transition metal with important biological functions. Almost all living species use Mo in
active centres of specific redox active enzymes called molybdo enzymes. Form A, Form B, urothione and Form Z are the
organic components and the isolable oxidative degradation products of the unstable free molybdenum cofactor(Moco). In my
lecture, I will discuss our contribution in this area of human natural cofactor synthesis along with the different pterin
components as its precursors and our discovery of cyclic dihydroxy acetone phosphate(CDHAP) itself and its chemical
synthesis. Dihydroxyacetone phosphate (DHAP) is well known and used in the synthesis of natural sugars and the acyl-
DHAP is found to be an important precursor for membrane glycerol ethers which are highly concentrated in excitable tissues
such as brain, nurves and tissues.
3',5'-Cyclic adenosine mono phosphate(cAMP) and 3',5'-cyclic guanosine monophasphate (cGMP) regulate cell to cell
communication process.
24
Professor P K Bose Memorial Lecture (2017)
The Role of Transition Elements in the Design of New Inorganic Pigments:
The Importance of Coordination Geometry
Srinivasan Natarajan
Framework Solids Laboratory, Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560
012, India, Email: [email protected]
Crystalline inorganic oxides displaying bright colours attracted much attention from early days for application as
gemstones and pigments. Ruby (Cr3+ doped Al2O3) and Emerald (Cr3+ doped Be3Al2(SiO3)6) and Azurite (Cu3(CO3)2(OH)2),
Han blue (BaCuSi2O6) and Turquoise (CuAl6(PO4)4(OH)8·4H2O) for example found application as gemstones and pigments
since ancient times.[1] In addition to the naturally occurring gemstones and pigments, several man-made (synthetic) coloured
solids were also developed to meet the demand.[1] Y2BaCuO5, copper substituted apatites, Mn(III) substituted YInO3 and
CaTaO2N – LaTaON2 pervoskites are some of the more recent pigment materials for green, blue, red-yellow colours.[2,3] A
scientific inquiry into the origin of colours of inorganic solids is essential for a rational design and synthesis of coloured
materials. While there are several causes for the colour of solids, the main factor that causes colour in an inorganic oxide
containing transition metal ion is the electronic transitions within the partially filled d-states arising from the ligand field effects
around the transition metal ion. Octahedral and tetrahedral are the most common geometries where the colour and optical
absorption spectra of all the transition metal ions have been well-documented. Transition metal ions in less symmetric
geometries such as distorted octahedral and five-fold coordinated (square pyramidal and trigonal bipyramidal) geometries
produce colours different from those in regular octahedral and tetrahedral geometries in materials. The present talk would
address some of these issues and our efforts towards identifying new chromophores employing transition metal chemistry.[4-6]
Acknowledgements: Thanks are due to Science and Engineering Research Board (SERB), Government of India for the award
of a research project and JC Bose National Fellowship.
[1] P. Ball, Bright Earth:Art and the Invention of Color, The University of Chicago Press, Chicago, 2001.
[2] P.E. Kazin, M.A. Zykin,Y.V. Zubavichus, O.V. Magdysyuk, R.E. Dinnebier, and M. Jansen, Chem. –European J., 2014,
20,165; M. Jansen, H. P. Letschert, Nature, 2000, 404, 980.
[3] A. E. Smith, H. Mizoguchi, K. Delaney, N. A. Spaldin, A. W. Sleight, M. A. Subramanian, J. Am. Chem. Soc., 2009, 131,
17084.
25
[4] S. Tamilarasan, D. Sarma, S. Natarajan and J. Gopalakrishnan, Inorg. Chem., 2013, 52, 5757; S. Tamilarasan, D. Sarma,
M.L.P. Reddy, S. Natarajan, J. Gopalakrishnan, RSC Advances, 2013, 3, 3199; S Tamilarasan, S Laha, S Natarajan, J
Gopalakrishnan, J. Mater. Chem. C, 2015, 3, 4794; S. Tamilarasan, S. Laha, S. Natarajan and J. Gopalakrishnan, Eur. J.
Inorg.Chem., 2016, 288; S. Tamilarasan, S. Natarajan and J. Gopalakrishnan, Chemistry – An Asian J. (2016), 11, 3234.
[5] S. Laha, S. Tamilarasan, S. Natarajan and J. Gopalakrishnan, Inorg. Chem., 2016, 55, 3508; S. Laha, S. Natarajan and J.
Gopalakrishnan, Eur. J. Inorg. Chem., 2016, 288 – 293.
[6] A. Bhim, S. Laha, J. Gopalakrishnan and S. Natarajan, Chemistry – An Asian J, 2017, 12, 2734 – 2743; Inorg. Chem.,
2019, 58, 8560 – 8569; European. J. Inorg. Chem., 2018, 2277 – 2284
26
Dr. Basudev Banerjee Memorial Lecture (2017)
Oxidative Damage of Proteins: Role of Antioxidants
Dr. Swagata Dasgupta, FASc
Professor, Department of Chemistry, Indian Institute of Technology Kharagpur,
Kharagpur INDIA 721302; e-mail: [email protected]
Oxidative damage of proteins can lead to loss of protein function due to amino acid modifications. Tryptophan oxidation and
dityrosine (DT) formation are examples of common modifications. Ribonuclease A (RNase A) dimerization occurs due to the
cross-linkageformed by C-C coupling between two tyrosyl radicals [1].The DT cross-linkage has a strong fluorescence
emission at ~410 nm and thereby behaves as a fluorophore and serves as a biomarker of oxidative stress since it is detected
in patients with age related disorders like Alzheimer’s disease.The presence of suitable antioxidants, e.g. naturally occurring
polyphenols or fullerene based compounds have been found to scavenge free radicals and lower oxidative stress in RNase A
[2]. Encapsulation of polyphenols within β-cyclodextrin (β-CD) or in chitosan nanoparticles not only increase the stability and
bioavailability of the compounds but also prevent DT formation more efficiently as compared to free polyphenols [3.4].
Environmental UV radiation under oxidative stress is also one of the key reasons for the in vivo protein damage/oxidation that
could ultimately lead to several diseases. In vivo/in vitro factors like ultraviolet (UV) radiation, pH, temperature and exposure
to chemical agents result in a disruption of the structural integrity of the proteins in the eye lens. The transparency of the
human eye lens depends on the solubility and stability of the crystallins, the structural proteins of the eye lens. Amino acid
modifications and/or aggregation in human γ-crystallin and other members of the crystallin superfamily are the main causes of
cataract formation. The extent of Trp residue oxidation of the cataractous human γ-crystallin in the presence of the major
green tea polyphenol, (-)epigallocatechin gallate (EGCG) has been investigated. Green tea polyphenols have also been
checked to evaluate their potency against the damage of recombinant human γB-crystallin that has been overexpressed in E.
coli. [5-7]. The results show that the presence of green tea polyphenols has potential benefits against damages caused due to
oxidative stress in proteins.
References
1. Kanwar,R., Balasubramanian, D. (2000) Biochemistry39, 14976-14983.
2. Roy, P., Bag,S., Chakraborty,D., Dasgupta, S. (2018) ACS Omega3, 12270−12283.
3. Roy,P., Dinda, A.K., Chaudhury, Dasgupta, S. (2018) Biopolymers109, 1-15.
4. Roy, P., Parveen. S., Ghosh,P., Ghatak,K., Dasgupta, S.(2019) Biochimie162, 185-197.
5. Chaudhury,S., Ghosh, I., Saha, G., Dasgupta S. (2015)Intl. J. Biol. Macromol.77, 287-292.
6. Chaudhury S.; Bag S.; Bose M.; Das A. K.; Ghosh A. K.; Dasgupta S. (2016) Mol Biosyst. 12, 2901-2909.
Chaudhury S.; Dutta A.; Bag S.; Biswas P.; Das A. K.; Dasgupta S. (2018) Spectrochim. Acta A, 192, 318-327.
27
Invited Lecture
Photo/Electro-Active Metal-Ligand Coordination-Directed Self-Assembly
Joe Otsuki
Department of Materials and Applied Chemistry, College of Science and Technology, Nihon University,
Tokyo, Japan
Coordination interaction is one of the most useful tools for assembling molecules owing to its directionality and a wide range
of strengths and kinetics of bonding. We are interested in constructing photo/electro-active supramolecular devices. To reach
the goal, we need to learn how the component molecules assemble themselves into functional supramolecular organizations.
Axial coordination of pyridyl ligands to zinc porphyrin or chlorophyll derivatives is a simple and versatile interaction to
construct porphyrin-based supramolecular species [1]. We have shown that zinc chlorophyll derivatives tethering a pyridyl
moiety self-assemble into higher-order structures [2]. In the solid-state, linear, polymeric structures are favored while in
solution closed cyclic structures are preferred. We introduced an electron acceptor (fullerene) to this cyclic motif to realize a
light-harvesting antenna/charge separation system, in which charge separation takes place in the 100% quantum yield [3].
More recently, we introduced an electron donor (ferrocene) to construct a complementary light-harvesting/charge separation
system, in which a rare reductive quenching is involved.
Another topic is based on our finding that a pentacopper metallacrown complex spontaneously forms from a mixture of
copper(II) salt and acetylacetone dioxime [4]. In the resulting complex, acetylacetone dioxime has been transformed into a
trioxime. We have subsequently found that a variety of mixtures of 1,3-dione dioxime and copper(II) salt result in multicopper
complexes, in many cases of which the ligand has been transformed into different compound from the feed solution.
In the seminar, I will discuss about the potential of photo- and electro-active (supra)molecule-based materials and devices
taking examples from our laboratory including those mentioned above.
[1] J. Otsuki, J. Mater. Chem. A2018, 6, 6710–6753. [2] Y. Shinozaki, G. Richards, K. Ogawa, A. Yamano, K. Ohara, K.
Yamaguchi, S. Kawano, K. Tanaka, Y. Araki, T. Wada, J. Otsuki, J. Am. Chem. Soc.2013, 135, 5262–5265. [3] Y. Shinozaki,
K. Ohkubo, S. Fukuzumi, K. Sugawa, J. Otsuki, Chem. Eur. J.2016, 22, 1165–1176. [4] J. Otsuki, T. Sekine, Y. Kida, Y.
Shinozaki, S. Kobayashi, T. Tamura, K. Sugawa, I. Yoshikawa, H. Houjou, H. Yoshikawa, A. Tsukamoto, Dalton Trans.2017,
46, 2760–2764.
28
Hydrogen: The Ultimate Carbon-Free Energy Option
and its production using thermochemical cycles
Dr. D. Parvatalu and Dr. Sanjeev Katti*
ONGC Energy Centre, Delhi - 110092 INDIA
While the current world economy is based on fossil fuels, their limited existence coupled with environmental concerns and
global warming shift the focus to green and clean renewable fuels. However, the popular renewables like Solar, Wind,
Geothermal, Hydro-power, etc., cannot reach on their own, the bench mark set up by fossil fuels in terms of their round the
clock-availability, affordability, and volumes. Hydrogen, an energy carrier, is one of the potential answers as it can be
produced using virtually all possible primary energy sources in a clean and green way. Hydrogen generation by
thermochemical water splitting, photo-chemical/photo-electrochemical water splitting processes using solar energy source is
one such example for emerging areas of research interest in recent times. Hydrogen generation using Water Electrolysis is
significantly more expensive than the bench marked SMR-hydrogen production, in view of its total reliance on electricity. The
issue is the development of an affordable technology to meet large scale future energy needs by employing green and clean
technology processes for hydrogen production. Also, the storage and transportation of hydrogen pose significant challenges.
ONGC Energy Centre (OEC) has been pursuing Research, Development and Demonstration (RD&D) in a collaborative
consortium mode with several leading centers of excellence in India (ICT, IIT-D, CSIR-IIP, ARCI, CSIR-CSMCRI, BITS-Goa)
to develop Thermochemical Water Splitting processes as they have potential for large scale generation of hydrogen in a clean
and green manner. OEC is actively working on development of Iodine-Sulfur cycle at 900oC and Copper-Chlorine cycle at
550oC. OEC & ICT have successfully completed the development of a new patented Cu-Cl cycle at mini-pilot scale. Recently,
the closed loop I-S cycle demonstration was done in a quartz/glass set up. Demonstration of the open loop I-S process is in
advanced stages. Several equipment and materials required for Cu-Cl and I-S cycles have also been designed and
developed. The current focus of work is on the improvement in process, development of materials used in construction of
reactors and electrodes, membranes for electrochemical processes and gas separations, catalysts, high temperature
corrosion testing and integration of heat source with the thermo-chemical cycles. In addition, a novel method for storage of
hydrogen is being developed. We have also initiated some work on Hydrogen Fuel cell program in collaboration with CSIR-
CGCRI.
We believe hydrogen will play a major role in the world energy needs in view of its flexibility as a fuel and versatility to make
use of wide range of available energy sources for its generation.
29
Drug Discovery in the Context of Sustainable Chemistry Development
Asit K. Chakraborti*
Department of Chemistry,
Indian Institute of Technology-Ropar, Rupagar, Punjab 140001, India
*e-mail:[email protected]; [email protected]; [email protected]
Sustainability underpins the advancement of modern science. Towards this endeavour, recent past has witnessed notable
advancement in organic synthesis, that holds central stage of drug discovery.1 These are resulting a continuum enrichment
of the synthetic tool box of medicinal chemistry2 in compliance with sustainable development.3 However, these newly
developed synthetic methodologies are poorly reflected in medicinal chemistry practices4 that restricts the discovery phase
within a narrow chemical and a resultant limited IP (Intellectual Property) space. These urge the integration of the modern
synthetic methodologies for sustainable medicinal chemistry research.5The present discussion would involve the sustainable
approaches through induction of the newly developed synthetic methodologies6 to generate new therapeutic leads7 and
further optimization.8
References:
1. M. MacCoss, T. A. Baillie, Science, 2004, 303, 1810.
2. S. D. Roughley, A. M. Jordan, J. Med. Chem. 2011, 54, 3451.
3. P. Tundo, P. Anastas, D. S. Black, J. Breen, T. Collins, S. Memoli, J. Miyamoto, M. Polyakoff, W. Tumas, Pure Appl. Chem.
2000, 72, 1207.
4. D. G. Brown, J. Boström, J. Med. Chem. 2016, 59, 4443.
5. M. C. Bryan, B. Dillon, L. G. Hamann, G. J. Hughes, M. E. Kopach, E. A. Peterson, M. Pourashraf, I. Raheem, P. Richardson,
D. Richter, H. F. Sneddon, J. Med. Chem. 2013, 56, 6007.
6. S. V. Chankeshwara, A. K. Chakraborti, Org. Lett. 2006, 8, 3259. G. L. Khatik, R. Kumar, A. K. Chakraborti, Org. Lett. 2006,
8, 2433.A. K. Chakraborti, S. Rudrawar, K. B. Jadhav, G. Kaur, S. V. Chankeshwara, Green Chem. 2007, 9, 1335. N. Parikh,
D. Kumar, S. Raha Roy, A. K. Chakraborti, Chem. Commun. 2011, 47, 1797.
7. K. Seth, S. K. Garg, R. Kumar, P. Purohit, V. S. Meena, R. Goyal, U. C. Banerjee, A. K. Chakraborti, ACS Med. Chem. Lett.
2014, 5, 512.P. Shah, T. M. Dhameliya, R. Bansal, M. Nautiyal, D. N. Kommi, P. S. Jadhavar, J. Padma Sridevi, P.
Yogeeswari, D. Sriram, A. K. Chakraborti, Med. Chem. Commun. 2014, 5, 1489.S. Pancholia, T. M. Dhameliya, P. Shah, P.
S. Jadhavar, J. Padma Sridevi, P. Yogeshwari, D. Sriram, A. K. Chakraborti, Eur. J. Med. Chem. 2016, 116, 187. T. M.
Dhameliya, R. Tiwari, A. Banerjee, S. Pancholia, D. Sriram, D. Panda, A. K. Chakraborti, Eur. J. Med. Chem. 2018, 155, 364.
8. K. Seth, P. Purohit, A. K. Chakraborti, Org. Lett.2014, 16, 2334; P. Purohit, K. Seth, A. Kumar, A. K. Chakraborti, ACS
Catal.2017, 5, 2452.B. V. Pipaliya, A. K. Chakraborti, J. Org. Chem. 2017, 82, 3767.
30
BIOMIMETIC MATERIALS : LEARNING FROM NATURE
Arvind Sinha
CSIR-National Metallurgical Laboratory, Jamshedpur 831007, India
Email: [email protected]
Abstract
Biomimetics is the abstraction and application of biological principles into human-made technologies in general and materials
science and technology, in particular. Bioinspired materials evolved from the inspirations derived from natural organisms
exhibiting multi-functionality, sustainability and sophistication in its structure property correlations etc.Stringent microstructral
control manifested by structural materials produced by nature could be explained on the basis of underlying supramolecular
matrix and its specific molecular recognition, leading to controlled nucleation and growth of a specific crystal structure for a
particular functionality.
An integration of the nature based concepts with modern science and engineering could lead us to design and develop
different functional nano materials and structures for various engineering application. My talk will demonstrate that, how by
mimicking a matrix mediated biomineralization process of nature, we could synthesize and commercialized biomimetic
functional nanocomposites in different forms, exhibiting stringent microstructural control and designed bioactivity as required
for scaffold based of bone tissue engineering.
31
Solid State Technology for the Design of Smart Materials
Javier Ellena
São Carlos Institute of Physics – University of São Paulo.Av.Trabalhador Sãocarlense, 400 - CP 369,
CEP 13560 570 - São Carlos/SP - Brazil.
Email: [email protected]
Crystal engineering has become a rich discipline whose success requires an iterative process of design, synthesis,
experimental solid-state characterization and computational methods, Taylor-made proprieties. By focusing on molecular
recognition events during nucleation and growth, we have discovered new ways to control the internal structure of crystals
and the production of materials with useful physical, chemical as well as technological properties. This vast area of research
that allows the design of functional materials with specific properties ranges from Metal-organic frameworks (MOFs) and
coordination polymers (CP) to Pharmaceutical materials.
MOFs and CPs, for example, are hybrid porous crystalline materials formed by metal centers and organic linkers. Throughout
the last years, all kinds of metals and ligands have been used in the synthesis of these materials, to give rise to the wide
range of different networks, architectures and topologies. The great importance of these compounds lies in the various
properties that they can have due to modification of their structural components. Among the most important properties include
gas adsorption, photoluminescence,1 materials for ommunication,2 light emitting diodes,3 heterogeneous catalysis, magnetic
devices,4,5 chemical sensors, 1a,6 contrast agents7 and drug administration.8 Research in this area involves synthetic
methodologies, characterization and evaluation techniques with multiple properties, allowing interdisciplinary work and the
participation of different actors in the scientific society. The strategic expansion of the materials science research area involve
the multiple applications from waste treatment to the medical field, form the storage of hydrogen fuel to the solar energy
devices.
In the same way, solid-state technologies have been also used to solve one of the main problems affecting developing
countries, such as the influence of high drug costs on government public health policies as well as drug quality control.
Within this broad framework, this seminar will discuss the application of solid-state technology methods for the synthesis,
design and development of supramolecular of new functional materials of the most diverse three-dimensional topologies
types and technological properties.
References
(1) (a) D'Vries, R. F.; Alvarez-Garcia, S.; Snejko, N.; Bausa, L. E.; Gutierrez-Puebla, E.; de Andres, A.; Monge, M. A. Journal of
Materials Chemistry C2013, 1, 6316; (b) D'Vries, RF; Gomez, GE; Mondragon, LP; Onna, D; Barja, BC; Soler-Illia, GJAA;
Ellena, J. Data In Brief, 2019, 27, 104709; (c) Gomez, G. E.; Kaczmarek, A. M.; Van Deun, R.; Brusau, E. V.; Narda, G. E.;
Vega, D.; Iglesias, M.; Gutierrez-Puebla, E.; Monge, M. Á. Eur. J. Inorg. Chem.2016, 2016, 1577.
(2) He, H.; Ma, E.; Cui, Y.; Yu, J.; Yang, Y.; Song, T.; Wu, C.-D.; Chen, X.; Chen, B.; Qian, G. Nat Commun2016, 7.
(3) Nascimento Neto, J.A.; Valdo, A.K.S.M.; Silva, C.C. da; Guimarães, F.F.; Queiroz Jr. L.H.K.; Maia, L.J.Q. de Santana, R.C.;
Martins, F.T. J. Am. Chem. Soc.2019, 141, 8, 3400–3403.
(4) D’Vries, R. F.; Iglesias, M.; Snejko, N.; Gutiérrez-Puebla, E.; Monge, M. A. Inorg. Chem.2012, 51, 11349.
32
(5) Ricco, R.; Malfatti, L.; Takahashi, M.; Hill, A. J.; Falcaro, P. Journal of Materials Chemistry A2013, 1, 13033.
(6) Gomez, GE; Onna, D; D’Vries, RF; Barja, BC, Ellena, J; Narda, G; Soler-Illa, GJAA, J. Material Chemistry C, 2020,
https://doi.org/10.1039/D0TC02623A
(7) Ray Chowdhuri, A.; Bhattacharya, D.; Sahu, S. K. Dalton Transactions2016, 45, 2963.
(8) (a) Della Rocca, J.; Liu, D.; Lin, W. Acc. Chem. Res.2011, 44, 957(b) Horcajada, P.; Serre, C.; Vallet-Regí, M.; Sebban, M.;
Taulelle, F.; Férey, G. Angew. Chem.2006, 118, 6120.
33
In silico optimization of antimicrobial peptide enables combinatorial exploration for novel
compounds with anti-infectious activities
Octavio Luiz Franco1,2
1 Centro de Análises Proteômicas e Bioquímicas, Pós-Graduação em Ciências Genômicas e
Biotecnologia Universidade Católica de Brasília, Brasília-DF, Brazil.2S-Inova Biotech, Pós-graduação em Biotecnologia,
Universidade Católica Dom Bosco, Campo Grande, MS, Brazil.
Antimicrobial peptides (AMPs) have attracted considerable attention because of their multiple and complex mechanisms of
action toward resistant bacteria. However, reports have increasingly highlighted how bacteria can escape AMP
administration. Here, the molecular mechanisms involved in Escherichia coli resistance to antibiotics were investigated
through comparative transcriptomics. Furthermore, we also describe the use of a genetic algorithm to design synthetic AMPs
derived from plant (Pg-AMP1) a glycine-rich peptide previously isolated from guava seeds and sea animals (clavanins). This
approach yielded both peptides classes that possess an unusually high proportion of arginines and use tyrosine residues as
hydrophobic counterparts. Guavanin 2 emerged as a prototype AMP, among fifteen guavanin analogues screened for their
activity against an engineered luminescent strain of Pseudomonas aeruginosa. Similarly, clavanin-MO was also selected.
Both peptides were further characterized in terms of structure, activity and biotechnological potential. These novel peptides
were unstructured in water and underwent a coil-to helix transition in hydrophobic environments. This conformation was
corroborated by NMR analysis in dodecylphosphocholine micelles, which revealed an α-helical structure. Guavanin 2 and
clavanin-MO caused a bactericidal effect at low micromolar concentrations to several resistant bacteria, causing membrane
disruption, without triggering depolarization but rather hyperpolarization. In summary the present work presents a
computational approach to explore natural products for the design of short and potent peptide antibiotics that could be used
against resistant bacteria. Peptides have been also evaluated against Sars CoV 2.
34
Green hydrogen from Proton Exchange Membrane water electrolysis: a review of recent
developments in critical materials and operating conditions
S. Vasudevan
CSIR - Central Electrochemical Research Institute, Karaikudi – 630 006, India
Email: [email protected]
Abstract
Alternative energy sources like solar, wind, thermal, ocean, geothermal, thermonuclear, hydrogen etc., are being
considered as possible sources of energy to meet the growing demand. However, none of these energy sources except
hydrogen has all the desirable qualities to replace petroleum and natural gas. For example, some are only intermittently
available; others are available away from the consumption centers and cannot be used as fuel for transportation. Therefore,
out of the above alternative energy sources, hydrogen is considered the best option, which could form the link between the
new energy sources and the user. Hydrogen is the clean fuel and when used as a fuel, produces only water. In the hydrogen
energy system, it is envisaged that hydrogen will be produced from non-fossil energy sources, and will be used in every
applications where fossil fuels are used today. Over the last decade there have been increasing research efforts to
investigate the various aspects of the hydrogen energy systems like production, storage and transport and its
applications.Generation of hydrogen via electrolysis is a well-known and established technology. There are two main types of
electrolyser [Alkaline and Proton Exchange Membrane (PEM)] and both are well proven and long-lived. Electrolysis has been
traditionally based on an alkaline technology, but Proton Exchange Membrane (PEM) electrolysers are now coming to the
forefront. However, due to the high cost of both electricity and material, only a small proportion (4 -5%) of the worldwide
hydrogen production comes from electrolysis. Yet electrolyser costs are expected to drop within the few years as a
consequence of standardization, mass-production, and a greater competitiveness. The demand for clean-produced hydrogen
and its storage potential spell enormous possibilities for renewable electrolysis in the future. Even non-renewable electrolysis
is bound to play an important role in the short-term as a source of moderate amounts of hydrogen for small fuelling stations
and domestic applications.
In future low-carbon economics, electrolyser technology could provide a central solution to meeting both the power
management needs of the electricity sector and the needs of the transport and industrial sectors for low/zero carbon fuels.
Electrolytic hydrogen could thereby displace large proportions of non-electricity fuel consumption.Hence, the new market
potential for electrolyser dwarfs the existing market potential and on a global scale it is truly vast.
In this talk some of the important and recent developments in the electrochemical alternatives with newer materials
for hydrogen generation are discussed. The talk also covers hydrogen based technologies developed at CSIR-CECRI.
35
Macromolecular Assemblies by Orthogonal Halogen Bonding and Other Directional Interactions
Anindita Das
School of Applied and Interdisciplinary Sciences, IACS, Kolkata-700 032.
E-mail: [email protected]
Abstract: Self-assembly of synthetic polymers into well-defined nanostructures finds relevance in various applications.
Concurrently, multicomponent systems constituted of several distinct supramolecular interactions operating simultaneously
and orthogonally are prerequisite for creating more complex supramolecular architectures with advanced properties.
Recently, halogen (X)-bonding has emerged as a powerful tool for molecular recognition. However, their influence in dictating
macromolecular assembly in solution phase is still at its infancy. We envisaged that orthogonal utilization of X-bonding with
other directional non-covalent interactions can be an interesting combination for introducing structural complexity in
multicomponent polymeric systems. With this objective, we have studied the co-assembly of a polymeric halogen bond (XB)
donor with different XB accepting aromatic building blocks that can grow into 1D supramolecular polymers by either H-
bonding or dipolar interactions. The X-bonded strategy for conjugating covalent polymers with their supramolecular analogues
confers highly complex supramolecular graft-copolymers with tunable surface functionality, unprecedented stability and
stimuli responsive properties. Various design aspects of these hybrid systems and their properties will be discussed in this
presentation.
References
1. Priimagi, A.; Cavallo, G.; Metrangolo, P.; Resnati, G. Acc. Chem. Res.2013, 46, 2686-2695.
2. Vanderkooy, A.; Taylor, M. S. J. Am. Chem. Soc.2015, 137, 5080-5086.
3. Rajak, A.; Das, A. Polym. Chem.2020, 11,695-703.
4. Jamadar, A.; Karan, C. K.; Roy, L.; Das, A. Langmuir2020, 36, 3089-3095.
5. Jamadar, A.; Das, A. Polym. Chem.2020, 11, 385-392.
36
Visible Light Developments of Tribromides- A key to Dearomatisation
Debayan Sarkar
Associate Professor, Department of Chemistry, National Institute of Technology Rourkela, Odisha,
India-769008
Dearomatization is a versatile synthetic tool for transformation of a simple planar molecule to a more functionalised diverse
non-planar molecular skeleton allowing a fast access to synthetic complexity. Notably, the last decade has seen a
tremendous urge to develop sustainable versions of this transformation which can be applied to a wider context. Important
functionalisations along with conversion of these planar molecules to three dimensional molecules like
Aminocyclohexadieneones, azido-napthaleneones and Peroxo-cyclohexadieneones constitute the central core for a vast set
of medicinally important molecules and thus create an extreme focus of attention. Certainly, a generalised oxidative strategy
which carefully aaccomplishes this “trio” of reactions aminative, azidative and Peroxodative dearomatisations can be a
reaction of tremendous synthetic importance. This trio of reactions has been accomplished using Phenyl trimethyl ammonium
tribromide(PTAB) as an effective reagent.Intramolecular dearomative carbo-spirocyclization (IDCS) with phenols acts as
straight forward route towards solving molecular complexity. Interestingly, spirocyclic dienones with their inherent three-
dimensional (3D) conformational constraint and rich structural diversity are found in a number of natural products and are
known to carry a wide range of pharmacological activities
References
1. Debayan Sarkar*, Sagarika Behera, Sarbani Ashe, Bismita Nayak, Saikant Kumar Seth 2017, Tetrahedron, 51, 7200-7209
; 2. Debayan Sarkar*, M.K.Ghosh Tetrahedron Letters, 2017, 58, 4336-4339; 3.Debayan Sarkar*, Nilendri Rout, Manoj
Kumar Ghosh, Santanab Giri , J. Org. Chem. 2017, 82, 9012-9022; 4. M. Arisawa, K.Sawahata, T. Yamada, Debayan
Sarkar, M.Yamaguchi Organic Letters 2018 , 20(4), 938-941; 5. Debayan Sarkar*, M.K.Ghosh, Nilendri Rout, Puspendu
Kuila 2017, New Journal Of Chemistry, 2017, 41, 3715—3718;6. Debayan Sarkar*, M.K.Ghosh, Nilendri Rout, Organic and
Biomolecular Chemistry, 2016, 14, 7883-7886. 7. Debayan Sarkar*, M.K.Ghosh, Nilendri Rout, RSC Advances , 2016, 6,
26886.8. Sushree Ranjan Sahooa, Debayan Sarkar* Organic Letters (Accepted Article) 2020 9. Sushree Ranjan Sahoo and
Debayan Sarkar* Organic and Biomolecular Chemistry2020, 18, 4619-4627
37
Systems Chemistry: How complexity emerges from chemistry?
Dibyendu Das
Assistant Professor, Department of Chemical Sciences, IISER Kolkata, E-Mail: [email protected]
Homepage: www.ddaslab.com
There remain critical gaps in our understanding of the emergence of functional biopolymers in the origins of Earth’s
biosphere. For instance, extant proteins, evolved over millions of years, carry out an impressive array of responsibilities, from
catalysis and molecular recognition to motility and compartmentalization. One of the major goals of our lab is to investigate
the possible origins of advanced enzymatic functions from folds of short peptide based paracrystalline phases.1,2 Further, we
are excited in understanding the non-equilibrium structures of living systems.3-6 I will show our recent discoveries of simple
chemical systems that can be substrate-driven to access higher energy self-assembled states, just as seen in Natural
microtubules. Entwined with negative feedback networks, I will attempt to sketch our aims of developing self-assembled
autonomous materials that can show temporal control of functions.3,5
Reference
1. B. Sarkhel, A. Chatterjee and D.Das*. J. Am. Chem. Soc. 2020 142 4098-4103
2. A. Reja, S.P. Afrose, D. Das*. Angew. Chem. Int. Ed. 2020 59 4329-4334
3. S. Bal, C. Ghosh, T. Ghosh, R. Vijayaraghavan and D. Das*. Angew. Chem. Int. Ed. 2020, (Accepted Article)
4. S.P.Afrose, S. Bal, A. Chatterjee, K. Das, D. Das* Angew. Chem. Int. Ed. 2019 58 15783-1578
5. S. Ahmed, A. Chatterjee, K. Das and D.Das* Chemical Science 2019 10 7574-7578
6. S. Bal, K. Das, S. Ahmed and D.Das* Angew. Chem. Int. Ed. 2019 58 244
38
Reactive Self-Assembly of Polymers and Proteins for Therapeutic Applications
S. Thayumanavan
Department of Chemistry, University of Massachusetts, Amherst, MA 01003
Direct use of proteins, to address a specific deficiency, has the promise to mitigate the off-target effects of typical
drug molecules. The show-stopper here is protein delivery. Most current approaches are restricted to delivery of extracellular
proteins (e.g. insulin). This leaves behind a rather large number of pathologically important intracellular proteins. We report a
novel self-assembly strategy that addresses key shortcomings of prior approaches. Here, the protein itself acts as the
template for the polymer to self-assemble around it. Because the protein is the central component in the self-assembly,
protein loading is high. Moreover, the polymer is designed such that the assembly is non-toxic, not prone proteolytic
degradation in serum conditions, but releases the protein cargo in the cytosol with complete retention of their structure and
function. Complementary approaches taken in this regard will be discussed.
39
Recent Trends in Analytical Chemistry
S. M. Khopkar
Indian Institute of Technology, Bombay, India
When Prafulla Chandra Ray discovered mercuric nitrite and 8 hydroxychloroquine reliable method were not
available.However in subsequent years in 1956 the British scientists re discovered thesecompounds.They characterised
mercury by cold vapour atomic absorption spectroscopy while hydroxychloroquine was determined by Reversed Phase
HPLC.
Last few years have witnessed spectacular developments in analytical chemistry. In chromatography we have novel methods
like Ion Chromatography, Supercritical Fluid Chromatography or Capillary Electrophorsis. The former facilitates environmental
speciation of ions while latter provides means for separation and determinations at nanogram concentrations.
In quantitative analysis Atomic Absorption Spectroscopy or Inductive Coupled Plasma Atomic Emission Spectroscopy
dispenses the need of prior separation of interfering ions before analysis.
In surface analysis Scanning electron spectroscopy including ESCA,Auger and Atomic Force Spectroscopy provided means
not only for knowing the concentration but the structure and bonding involved in the substances. In elucidation of structure we
have NMR ESR Mossbauer spectroscopy along with X ray technique to provide precise information on the structure of the
compound.
In electroanalytical chemistry we have a variety of technique in Polrographylike DC,AC,Square wave technique providing both
qualitative and quantitative analysis. High frequency and conductance methods are most useful for characterization.
In separation methods in solvent extraction it is possible to extract anions eveninthe drop of the extractant. While in Ion
exchange chromatography difficult separation of Zr-Hf or Nb-Ta was feasible in few minutes.
In nuclear chemistry neutron activation analysis is still dominating the scene of the analysis at tracer concentrations.
Finally we conclude chemist is always in search of rapid method of analysis which is applicable at nanogram concentration
involving no interferences in determination. The statistical analysis has also provided us to ascertain the errors and decide as
to what extent the data and results are reliable and trustworthy.
40
Separating nuclear isomers and isotopes of the same element – the comeback of hot atom
chemistry?
Antonia G. Denkova1,R. Bhardwaj1, P. Serra Crespo1, J.L.T.M. Moret1, J. R. Van Ommen2,
H.T.Wolterbeek1
1Radiation Science and Technology, Delft University of Technology
2Chemical Engineering, Delft University of Technology, E-mail: [email protected]
The idea to apply hot atom chemistry to produce radionuclides with high specific activity dates back to the 1950s but has
received much less attention in the last two decades. However, new materials, new irradiation possibilities as well as
increased demand for radionuclides have pushed us to revive hot atom chemistry. Here we show two examples how such
principles can be used. In the first case we show how bond rupture due to internal conversion can be applied to design a
177mLu/177Lu generator. 177mLu decays to 177Lu partly by internal conversions, leading to the emission of Auger electrons and
eventual loss of valence electrons. We show that when complexing 177mLu with a chelator able to form strong complexes such
as DOTA (1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid), 177gLu can be released and collected. Initially, we used
the molecule DOTATE and reverse phase chromatography to enable the separation, but the results showed that 177mLu as
well as 176Lu also come free due to dissociation from DOTA. In order to achieve high quality of 177gLu having less than 0.02 %
of 177mLu it is important to reduce the contribution of 177mLu due to dissociation from DOTA. This has been achieved by storing
the 177mLu-DOTA complex at 77K for different times and extracting the 177gLu by liquid-liquid extraction. The results show that
contamination of 177mLu can be reduced reaching values that satisfy clinical use.
The second example is the separation of 64Cu from 63Cu using the Szilard Chalmers method. 64Cu can be produced by
various methods, but the direct production from 63Cu in nuclear reactors results in low specific activity 64Cu. The specific
activity of 64Cu was previously shown to be increased using the Szilard Chalmers method and an organic molecule in which
the Cu was incorporated. However, upon irradiation the organic molecule breaks and limiting the total activity and the specific
activity that can be achieved. Here, we show that shielding the gamma radiation originating from the nuclear reactor helps
significantly to increase the specific activity of 64Cu.
References:
1Bhardwaj, R., van der Meer, A., Das, S. et al. Separation of nuclear isomers for cancer therapeutic radionuclides based on
nuclear decay after-effects. Sci Rep 7, 44242 (2017). https://doi.org/10.1038/srep44242
2 Bhardwaj, R., Wolterbeek, H.T., Denkova, A.G. et al. Radionuclide generator-based production of therapeutic 177Lu from its
long-lived isomer 177mLu. EJNMMI radiopharm.chem.4, 13 (2019). https://doi.org/10.1186/s41181-019-0064-5
3Moret, J.L.T.M., Hardens, T.A., van Batenburg, O., Wolterbeek, H.T., van Ommen, J.R., Denkova, A.G., 64Cu enrichment
using the Szilard-Chalmers effect – The influence of γ-dose, Applied Radiation and Isotopes, 160, 2020,
https://doi.org/10.1016/j.apradiso.2020.109135.
41
Use of extraction chromatography for the selective separation of elements
Bombard A.1, Happel S.1
1TrisKem International, 3 rue des Champs Geons, 35170 Bruz, FRANCE, [email protected],
Analytical chemistry might be considered the “detective” field of chemistry, its aim being the identification and quantification of
a product, an element, stable isotopes/isotope ratios, or a radioisotope in all kind of matrices. An analytical analysis is
typically comprised of distinctive steps such as sampling, sample preparation, separation, and detection. This webinar will
focus on the separation part. Depending on the analyte, the matrices/interferents and the detection equipment, the separation
strategy to get to the result shall differ to address the respective challenges.
Analytical methods based on nuclear measurement techniques such as alpha and beta spectrometry (e.g. liquid scintillation
counting; LSC) are employed to quantify so-called difficult-to-measure (DTM) alpha and beta-emitting radionuclides. The
quantification of these radionuclides will typically require the removal of often very complex matrix elements. Their removal
then allows for the preparation of thin sources (alpha spectrometry) or mixing of the samples with LSC cocktails (LSC
counting). They will further require the removal of other potentially interfering radioelements that may interfere with the
quantification of the analytes e.g. due to spectral overlap. This is especially true for the determination of beta emitters through
LSC.
These nuclear measurement techniques are typically used in fields such as environmental monitoring (monitoring of nuclear
installations, natural radioactivity, control of food and water, NOMR industry), bioassay (incorporation control), the analysis of
samples from decommissioning, waste monitoring. They may further be employed for the quality control of radionuclides for
medical use.
Mass-spectrometry based methods on the other hand will mainly require the removal of isobaric interferences (incl.
polyatomic isobaric interferences), particularly when very precise isotope ratios are to be determined. Nevertheless, the
removal of matrix elements and the preconcentration of analytes are also of high importance to improve precision and
detection limits. Typical applications of MS based methods will include the dating of geochemical samples, and the
determination of isotopic ratios for food provenancing, nuclear forensics and metalomics.
A very frequently employed separation technique that is used to overcome these challenges is extraction chromatography. An
overview over some recent examples of applications of this separation technique in some of the above-mentioned fields will
be presented.
42
Processes based on ionic liquids to purify biopharmaceuticals
Mara G. Freire
CICECO - Aveiro Institute of Materials, Chemistry Department, University of Aveiro, 3810-193 Aveiro,
Portugal
Human ageing is continuously advancing and will become one of the key driving forces of societal change in the decades
ahead. Specific needs of new affordable biopharmaceuticals to treat age- and prosperity-related diseases will considerably
increase, reinforcing the demand for scalable and cost-effective production technologies. Biopharmaceuticals have largely
improved the treatment of many diseases, and in some cases are the only approved therapies available for specific human
disorders. These biologic-based products include recombinant therapeutic proteins, antibodies and nucleic-acid-based
products. Despite all advantages of biopharmaceuticals, their extremely high manufacturing cost is still the most challenging
feature limiting their widespread use. Continuous discoveries in molecular biology and genetics, combined with advances in
media and feed development, have significantly increased the production titres, being the downstream processing the main
current bottleneck in biopharmaceuticals production.
To overcome this drawback, while taking advantage of their designer solvents ability, novel processes based on ionic liquids
(ILs) have been investigated for the purification of antibodies and nucleic-acid-based biopharmaceuticals. Results achieved
with the use of aqueous biphasic systems or three phase-partitioning systems formed by ILs and supported IL materials as
novel chromatographic supportswill be presented and discussed. Some integrated preservation-separation processes using
ILs will be also overviewed. The key accomplishments and future challenges in the field will be highlighted.
Acknowledgements: This work was developed within the scope of the project CICECO-Aveiro Institute of Materials,
UIDB/50011/2020 & UIDP/50011/2020, financed by national funds through the Portuguese Foundation for Science and
Technology/MCTES.
43
Linear Free Energy Relationships with particular reference to MnII catalyzed Periodate
Oxidation of Aromatic Amines
R. D. Kaushik
Professor and Head, Department of Chemistry
Former Dean, Faculty of Science
Former Dean, Faculty of Engineering & Technology
Former Dean, faculty of Ayurved & Medical Sciences
GurukulKangriUniversity, Haridwar-249404 (Uttarakhand), India
Email: [email protected]
Abstract
Different type of LFERs like Hammett, Taft, Van Bekkum, Sekigawa, Brown & Okamoto etc shall be discussed. Their
application in deciding few salient features of mechanism of reactions shall also be undertaken. Linear and non-linear nature
of corresponding plots gives important information related to the mechanism of concerned reaction. On the basis of kinetic
studies, and isokinetic relationship, the mechanistic features of the reaction series, MnII catalyzed non-Malapradian Periodate
Oxidation of Aromatic Amines, shall be discussed. LFER studies indicate the stabilization of positive charge on the anilino
nitrogen by resonance and that the transition state formed should be with a considerable positive charge. The reactions are
first order in oxidant, substrate and catalyst and get influenced by dielectric constant of the medium. The reactions are
characterized by the formation of many intermediates which finally give the benzoquinones i.e. main product. One mol of
substrate consumes two moles of oxidant in the initial part of most of the reactions. High negative value of entropy of
activation is another feature of these reactions which indicates the involvement of solvent interactions in these reactions.
Special pH effect has been reported and the rate-pH profile shows a maximum which is characteristic of the aromatic amine
oxidized. Rate law explaining the effect of pH and formation of intermediates and the isolated products is proposed. Gross
mechanism and the molecular mechanism have been proposed on the basis of the kinetic features, LFER studies and the
identified reaction products.
Key words: Linear free energy relationships, Non-Malapradian oxidation, aromatic amines, MnII, benzoquinones
44
Surface modifying macromolecules (SMMs): Synthesis, characterizations, and applications for
polymeric membrane materials
Dipak Rana
Senior Research Scientist, Industrial Membrane Research Institute, Department of Chemical and Biological Engineering,
University of Ottawa, Ottawa, Canada
Abstract:
Surface modifying macromolecules (SMMs) can be utilized to modify the surface of membranes by incorporating them into
the host membrane polymer matrix. The reason for the membrane fabrication process is for the SMMs to relocate to the
layers’ surface to bring down the surface energy at the outside of the membrane. A phase inversion process is done without
any additional
surface modification steps in order to modify a membrane’s surface. SMMs can be hydrophilic, hydrophobic, or charged
depending upon the end-capping agents’ properties of their functional groups. The characterization of different SMMs and the
blend will be discussed. SMMs have been found in a wide range of uses in membrane separation processes including
treatment of the Ottawa River water, decrease of bio-fouling by silver (Ag) incorporation, removal of endocrine-disrupting
compounds (EDCs) and pharmaceuticals and personal care products (PPCPs), fouling reduction of thin-film composite (TFC)
nano-filtration (NF) membranes, seawater desalination by membrane distillation (MD), and numerous other applications that
will be discussed.
45
A stochastic algorithmic approach towards the study of reaction path construction and
coulomb explosion in clusters
Pinaki Chaudhury
Department of Chemistry
University of Calcutta
§E-mail: [email protected]; [email protected]
The problem of tracing out reaction paths in clusters has been studied using stochastic algorithmic procedures. The methods
employed are adaptive mutation simulated annealing and parallel tempering. These methods, though differing in architecture
and mode of operation, are endowed with potent qualities so as to handle situations where multiple solutions exist and search
out the best from a myriad of possibilities. We have employed these techniques in the search for transition states and follow
the full structural change through these transition states and hence map out possible paths of transformation. Another
interesting phenomenon exhibited by charged clusters is the one of coulomb explosion, where clusters below a certain
threshold size can fragment into smaller units following certain criteria. This problem is studies in charged carbon dioxide
clusters as well as doped nobel gas clusters.
[1] P Naskar, S Talukder, P Chaudhury; Phy. Chem, Chem. Phys. 19, 9654 (2017)
[2] S.Ghorai, P Naskar, P Chaudhury; Phy. Chem, Chem. Phys. 20, 22379 (2018)
[3] RH Mirdha, P Naskar, P Chaudhury; Molecular Physics; 118 , e1645368 (2020)
[4] K. Ghosh, R. Sharma, P Chaudhury; Phy. Chem, Chem. Phys. 22, 9616 (2020)
46
Electrocatalytic CO2 Reduction: Overview, Challenges and Perspectives
Dr. Soumyabrata Roy Postdoctoral Research Fellow, Rice University, TX, USA
Email: [email protected]
Abstract: Century-long anthropogenic activities, since the industrial revolution, has led to enormous increase in atmospheric
CO2 levels (beyond the deadly 400 ppm mark), leading to severe climate change issues that threaten the existence of our
society. With the dependence of the world’s energy infrastructure on fossil fuels, till foreseeable future, we need to develop
carbon-negative technologies for CO2 mitigation, to balance the disturbances in the natural carbon cycle. Electrocatalytic CO2
reduction (eCO2RR) is one of the most potential avenues towards achieving sustainable energy economy and global climate
change targets by harvesting renewable energy into value-added fuels and chemicals. From an industrial standpoint,
eCO2RR provides specific advantages over other reduction pathways e.g. thermochemical, photochemical etc., in terms of a
much broader product scope, high product specificity and easy adaptability to the renewable electricity infrastructure.
However, unlike water electrolyzers, lack of suitable cathode materials for eCO2RR impedes the commercialization of CO2
electrolyzer technology, which has a material design challenge at its core. The current state-of-the art catalysts in eCO2RR
suffer largely from low catalytic rates, low C2+ product selectivity, higher overpotentials and long-term stability. Overcoming
the scientific and applied technical hurdles for commercial realization demands a holistic integration of catalytic designs, deep
mechanistic understanding and efficient process engineering. In my talk I will be focussing on the electrocatalytic avenue for
CO2 mitigation from a material design to process engineering perspective. Showcasing an example from our research
findings, I will try to harp on the importance of informed material engineering, which lay at the core of all such successful
strategies.
47
From fluorogens to fluorophores through aggregation, complexation and crystalization
Anindya Datta Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400 076, India
Email: [email protected]
Dimethyl-2,5-bis(4-methoxyphenylamino)terephthalate (DBMPT) has a flexible structure, by virtue of which it is almost
nonfluorescent in solutions. In aggregates formed by addition of a poor solvent, as well as in those with surfactants and
triblock copolymers, DBMPT is strongly fluorescent. Aggregates with surfactants have been used as platforms for white light
generation, while conjugates with triblock copolymer exhibit shape dependent cell permeability. The shape of aggregates
formed with triblock copolymers depend on the length of the hydrophilic part of the polymers. Salophen, a Schiff base and its
derivatives have also been studied in this context. Fluorescence quantum yield and lifetime of salophen increase by orders of
magnitude upon complexation and in solid form/ matrix. The extent of enhancement is significantly more in its monomeric Al3+
complex (SalAl+) than in its dimeric Zn2+ complex (SalZn).1 Interestingly, fluorescence is quenched in the SalAl+ crystals.
These trends are rationalized in the light of molecular arrangement of salophen and its complexes in their pure solid forms.2
Introduction of alkoxy groups in salophen ring is found to alter not only the photophysics, but also molecular packing of the
molecules in their crystals, leading to a higher emissivity of the Al3+ complexes in their crystalline form.3 More recently, we
have studied other Schiff bases, in which Zn complexes are dimeric, but the ligand molecules are not stacked. These
complexes turn out to be significantly more emissive than the free ligand, thereby supporting the role of -stacking in
determining the emissivity of these complexes. Careful selection of structural and electronic properties is required to optimize
emissivity of similar complexes and free ligands in their solid state.4
References
(1) Khan, T.; Vaidya, S.; Mhatre, D. S.; Datta, A. The Prospect of Salophen in Fluorescence Lifetime Sensing of Al3+. J. Phys. Chem. B2016, 120 (39), 10319–10326.
(2) Khan, T.; Datta, A. Impact of Molecular Arrangement and Torsional Motion on the Fluorescence of Salophen and Its Metal Complexes. J. Phys. Chem. C2017, 121 (4), 2410–2417.
(3) Khan, T.; Datta, A. Enhanced Fluorescence with Nanosecond Dynamics in the Solid State of Metal Ion Complexes of Alkoxy Salophens. Phys. Chem. Chem. Phys.2017, 19 (44), 30120–30127.
(4) Dasgupta, S.; Khan, T.; Datta, A. Excited State Dynamics of Fluorogenic Molecules, in Advances in Spectroscopy: Molecules to Materials, Singh, D. K.; Das, S.; Materny, A. eds. Springer 2019
48
Award Papers
Award Oral (1 – 37)
49
AO-1
Origin of the electronic conductivity in La2CuO4 synthesized by solution combustion method
PAYAL ARORA
Government College for Girls, Sector-14, Gurugram, Haryana- 122001, India
Abstract
Lanthanum cuprate La2CuO4, a layered perovskites oxide was synthesized using solution combustion method at different
calcination temperatures using urea as a fuel. XRD characterization confirms the pure phase of the synthesized material. The
effect of calcination causes shrinking in the lattice parameters affirm the change in the oxygen stoichiometry. Shrinkage in
lattice size helps in attaining the conductivity. Four Probe (Van der Pauw’s) and CP-AFM analysis were carried out to
understand the influences of calcination temperature on electrical conductivity. Four-probe analysis of as-synthesized
La2CuO4 doesn’t show conductivity, but shows conductivity of calcined compounds with a different extent. CP-AFM result
shows that the grain size of La2CuO4 crystallites increases with the increase of heat treatment temperature. TUNA current
micrograph of compound La2CuO4 in CP-AFM concludes conductivity is not properly channelized and present in the grain
boundaries. CP-AFM give assurance of maximum conductivity of La2CuO4 calcined at 1000oC by looking in TUNA current
micrograph. For identifying the reason of conductivity in La2CuO4, we again synthesized compound with different precursor
amounts. On increasing amount of urea in La2CuO4, increase in conductivity was observed in four-probe technique. Thus,
CP-AFM and lattice size effect together explains the conductivity behaviour of La2CuO4with change in the temperature.
50
AO-2
Green Synthesis of Silver and Palladium Nanocomposites: A Study of Catalytic Activity towards Etherification
Reaction
Pritam Singh1, Mita Halder1, Santanu Ray2, Adity Bose3 and Kamalika Sen1*
1Department of Chemistry, University of Calcutta, 92, A. P. C. Road, Kolkata 700009, India
2Surface Analysis Laboratory, School of Environment and Technology, University of Brighton, Brighton, BN2 4GJ, United
Kingdom
3Department of Chemistry, Presidency University, 86/1 College Street, Kolkata 700073, India
*E-mail: [email protected]
Abstract
The work deals with the synthesis of a biomolecule based Ag, Pd and Ag-Pd bimetallic nanocomposites using rutin as a
capping agent and their catalytic activity was examined towards etherification reaction. The Ag@rutin nanocomposite was
synthesized at pH 12 and Pd@rutin and Ag-Pd@rutin nanocomposites were synthesized at pH 1. The as synthesized
nanocomposites were characterized using N2 adsorption-desorption isotherm, high resolution transmission electron
microscopy (HRTEM), Fourier transform infrared spectroscopy (FTIR), absorption spectroscopy, thermogravimetric analysis
(TGA), powder X-ray diffraction (PXRD), X-ray photoelectron spectroscopy (XPS) and inductively coupled plasma-optical
emission spectrometry (ICP-OES). The catalytic activity of the synthesized nanocomposites was examined towards
etherification reaction between cinnamyl acetate and p-cresol chosen as model substrates. All the three synthesized
nanocatalysts were effective towards the studied reaction although Pd@rutin showed highest catalytic activity among them.
The best reaction condition and highest reaction yield was obtained in presence of water as a solvent, K2CO3 as a base,
under refluxing condition for 18 h of reaction time. The similar catalytic activity was further examined towards different
substituted analyte to check the applicability of the nanocatalyst. The products showed yields with 85-91% with a turn over
frequency of the catalyst lying in the range 17490-18724 h-1. The ICP-OES data suggested a very negligible amount of metal
is leaching out in the reaction mixture and the Pd@rutin nanocatalyst can be reused up to four times without a considerable
loss of catalytic activity. The use of Ag based heterogeneous catalyst towards such O-allylation reaction is the first as best of
our knowledge.
51
AO-3
Tri-Component Based Aqueous Biphasic System: One Step Forward to Construct a Greener Biphasic System
Laboni Das1, Sankar Prasad Paik2 and Kamalika Sen1*
1Department of Chemistry, University of Calcutta, 92 APC Road, Kolkata 700 009, India
2Department of Chemistry, SundarbanMahavidyalaya, Kakdwip 743347, India
email: [email protected]
Abstract:
In extraction chemistry, aqueous biphasic system (ABS) offers a greener substitute of the traditional liquid-liquid extractions in
which toxic, volatile and inflammable organic solvents are used1. ABS is generally composed of two mutually incompatible
aqueous solutions of polymer-polymer, polymer-salt, salt-salt, carbohydrate - polymer etc, at a certain thermodynamic
condition1,2. According to literature, the carbohydrate-polymer system is one of the least studied systems among them.
Carbohydrates have the advantage of havingnonionic, nontoxic, biodegradable nature withcheap, easy availability. In this
work, polymer-carbohydrate ABS consisting of 18% (w/v) aqueous solutions of D-mannitol and PPG#400 (100%), clear phase
separation takes place at high temperature (≥309 K). To overcome such an obstacle, we need to increase the salting out
ability of the carbohydrate rich phase which may be attained by increasing the ionic strength of the solution. As a consequent,
ionic liquid (IL) can be introduced as an adjuvant to the carbohydrate solutionto increase the salting out property of the
carbohydrate rich phase. Thus, we have mixed the aqueous solutions of D-mannitol with IL (tris (2-hydroxyethyl) methyl-
ammonium methyl sulfate), and then as a conjugate solution, the mixture is added to the aqueous solution of PPG#400 which
provides a new aqueous biphasic system. This newly formed tri-component based ABS requires only 16% (w/v) of D-
mannitol, 16% (w/w) of IL and 90% (v/v) of PPG#400. Not only the suppressed concentrations, this tri-component ABS can be
formed at room temperature (301 K). Now to verify the feasibility of our IL- carbohydrate -polymer system, we have also
designed ABS composed of PPG#400(80%,v/v) and IL (60%, w/v) at 301K. In a tri-component ABS, less amount of IL is
required, it is economical and also influence the biphase formation; which eventually proves the advantage of our newly
designed IL+carbohydrate -polymer ABS system.The phase diagrams were plotted using Merchuk equation.
References:
1. Freire, M. G. et al. Chem. Soc. Rev. 2012, 41, 4966–4995.
2. Sadeghi, R. et al. Polymer2016, 98, 365-377.
52
AO-4
Synthesis of biofuel additives from biodiesel waste using furfural over anchored 12-tungstosilicic acid
Dhruvi Pithadia&Anjali Patel*
Polyoxometalates and Catalysis Laboratory, Department of Chemistry, Faculty of Science, The Maharaja Sayajirao University
of Baroda,Vadodara, Gujarat, India
[email protected]& (091)9924081608, [email protected]*& (091)9638103500
Abstract
The substitution of non-renewable fossil resources by renewable biomass as a sustainable feedstock has been extensively
investigated for the manufacture of high value-added products. As a result of this, there has been an unparalleled revolution
in biodiesel industries producing surplus glycerol as a by-product. Collectively, up to date, these industries are unable to
exploit all the glycerol formed from biodiesel manufacturing units. Hence, from the view point of Green chemistry, it is of great
demand to convert glycerol to bio-additive products.
The present work consists of heterogeneous catalyst comprising 12-tungstosilicic acid anchored to nanoporous MCM-48
(TSA/nMCM-48) and its characterization by various physicochemical techniques. The catalytic activity
of the synthesized catalyst has been explored for the acetalization of glycerol
at 30 ℃ with furfural and detailed study was carried out by varying different parameters to achieve 89 % conversion with
selectivity of 69 % dioxane. The
TON was found to be 7355 as well as the catalyst was also found to be recycled up to 4 runs without any loss in the activity
[1].
Figure 1: Acetalization of glycerol with furfural
References:
1. A. Patel & D. Pithadia, Appl. Catal. A-Gen. 602 (2020) 117729
53
AO-5
Investigation of Antibiofilm activity of green silver nanoparticles against bacterial biofilm
Moumita Majumdarand Tarun Kumar Misra*
Department of Chemistry, National Institute of Technology Agartala, Agartala, Tripura 799046, India
E-mail: [email protected]/[email protected]
In the present era of multiple drug resistance bacteria, there is a crucial need to improve alternative medications to treat
bacterial infections. Bacteria become resistant towards conventional antibiotics through genetic mutation and formation of
multi-layer matrix structures, called biofilms [1,2]. Eco-friendly metal nanoparticles, especially silver nanoparticles (AgNPs)
with their extraordinary antimicrobial activity have evolved as an alternative to multidrug-resistant bacteria [3]. In the present
study, Citrus macroptera (CM) fruit extract stabilized silver nanoparticles (CM-AgNPs) have been developed and evaluated
against biofilms of two bacteria, Bacillus subtilis and Pseudomonas aeruginosa. CM-AgNPs show significant inhibition on
biofilm production at very low concentrations. Structural alterations of biofilm was confirmed by performing atomic force
microscopy. To understand the detailed mechanism, molecular docking studies have been performed between CM-AgNPs
and proteins of biofilms of the bacteria. These are mainly transcription factors which control the biofilm production of bacteria
of interest. Strong electrostatic interactions indicate CM-AgNPs effectively bind the proteins of B. subtilis and P.
aeruginosa. Therefore, the experimental outcomes and computational studies make the whole research work accommodating
towards the development of possible alternative treatment based on nanoparticle therapy against a wide range of bacterial
infections concerning biofilm formation.
References
[1] Donlan, R. M. & Costerton, J. W. (2002) Biofilms: survival mechanisms of clinically relevant microorganisms, Clinical
microbiology reviews. 15, 167-193.
[2] Rogers, A. (2008) Molecular oral microbiology, Caister academic press.
[3] Kaviya, S., Santhanalakshmi, J., Viswanathan, B., Muthumary, J. & Srinivasan, K. (2011) Biosynthesis of silver
nanoparticles using Citrus sinensis peel extract and its antibacterial activity, Spectrochimica Acta Part A: 79, 594-598.
54
AO-6
A short commentary on the ‘why’s of biomass-derived carbon material towards water pollution remediation
Akito I Sema1, Parimal Chandra Bhomick2, Jhimli Bhattacharyya1*
1Department of Chemistry, National Institute of Technology Nagaland, Chumukdima, Dimapur
Nagaland – 797103.
2Department of Chemistry, Immanuel College, Dimapur, Nagaland – 797 112.
Email: [email protected], [email protected]
Abstract
Clean water accessibility is expected to decrease and create water stress globally in the near future due to rapid growth of
population, urbanization and industrialization. UNESCO estimated that 80% of the global wastewater is exposed to the
natural environment without any precautionary treatment — making individual exposed to myriad contaminants with severe
health risks. Such contaminants present in the natural water resources becomes a threat to aquatic life and human survival.
Thus, treatment technologies (e.g., reverse osmosis, membrane separation, ion-exchange, adsorption, solvent extraction,
and advanced oxidation method) are applied to eliminate contaminants from the polluted water. But, adsorption using
biomassderived carbon reliably accounts for an effective method owing to its simple operation, costeffectiveness, high
removal efficiency and lesser chemical utility. It has gained much attention among researchers during the recent years; as
such treatment technology reduces the cost of production with higher surface area, and enhanced porosity. The significance
of this work is to provide succinct information with recent research articles on why biomass carbon as an adsorbent material
is a viable and eco-friendly method towards water pollution remediation. In addition, synthesis of activated carbon from
natural wastes, their characterization and application (along with glimpses of thermodynamics and kinetics of the procedure)
are briefly described here. The carbon based material synthesized by us showed excellent adsorption properties during water
treatment.
Keywords: Contaminants, Biomass, Porosity, Water treatment, Remediation, Adsorption isotherm studies.
55
AO-7
One-Dimensional NiSe-Se Hollow Nanotubular Architecture as a Binder-Free Cathode with Enhanced Redox
Reactions for High-Performance Hybrid Supercapacitors
Suvani Subhadarshini1, Dipak K. Goswami1,2 , Narayan Ch. Das1,3
1School of Nano Science and Technology, Indian Institute of Technology Kharagpur, Kharagpur, India.
2Department of Physics, Indian Institute of Technology Kharagpur, Kharagpur, India.
3Rubber Technology Centre, Indian Institute of Technology Kharagpur, Kharagpur, India
ABSTRACT
Selenium enriched nickel selenide (NiSe-Se) nanotubes supported on highly conductive nickel foam (NiSe-Se@Ni foam)
were synthesized using chemical bath deposition with the aid of lithium chloride as a shape directing agent. The uniformly
grown NiSe-Se@Ni foam, with its large number of electroactive sites, facilitated rapid diffusion and charge transport. The
NiSe- Se@Ni foam electrode, exhibited a superior specific capacitance value of 2447.46 F g-1 at a current density value of 1
A g-1 in a 1 M aqueous KOH electrolyte. Furthermore, a high-energy-density pouch-type hybrid supercapacitor (HSC) device
was fabricated using the proposed NiSe-Se@Ni foam as the positive electrode, activated carbon on Ni foam as the negative
electrode, and a filter paper separator soaked in a 1 M KOH electrolyte solution. The HSC delivered a specific capacitance of
84.10 F g-1 at a current density of 4 mA cm-2 with an energy density of 29.90 Wh kg-1 at a power density of 594.46 W kg-1
for an extended operating voltage window of 1.6 V. In addition, the HSC exhibited excellent cycling stability with a
capacitance retention of 95.09% after 10,000 cycles, highlighting its excellent potential for use in the hands-on applications.
The real-life practicality of the HSC was tested by using it to power a red light-emitting diode.
KEYWORDS: hybrid, supercapacitor, NiSe-Se, nanotube architecture, conductive, electrode
56
AO-8
Catalytic Water Oxidation by a Mononuclear Ruthenium(III) Complex with an Anionic, Redox-Non-Innocent Ligand
Animesh Kundu, and Sukanta Mandal*
Department of Chemistry, Indian Institute of Technology Kharagpur, Kharagpur - 721302, W.B.
Abstract:
This work describes catalytic water oxidation activity of a mononuclear ruthenium(III) complex [Ru(L)(pic)3] (H3L = 2,2’-
iminodibenzoic acid, pic = 4-methylpyridine), using Ce(IV) as an oxidant in pH 1. The detail mechanistic investigations of
water oxidation have been carried out by the use of spectroscopy, electrochemistry, kinetic analysis and computational
studies. Electrochemical study suggests that water oxidation proceeds via formal high-valent RuVII species. The capability of
accessing such a high valent state is derived from the non-innocent behavior of the anionic-tridentate ligand framework which
helps in accumulation of oxidative equivalents in cooperation with metal center. This metal-ligand cooperation is important to
facilitate the multi-electron oxidation of water. Mechanistic investigation reveals water oxidation at single-site of Ru where O-
O bond formation takes place via radical-radical coupling pathway between the oxygen atom of ruthenium-oxo species and
the oxygen atom of hydroxocerium(IV) ion.
Keywords: Non-innocent Ligand, Ruthenium Complex, Water Oxidation, Catalysis.
Reference: Kundu, A.; Dey, S. K.; Dey, S.; Anoop, A.; and Mandal, S. Inorg. Chem 2020, 59, 1461−1470.
57
AO-9
Arm Growth and Facet Modulation in Perovskite Nanocrystals
Sumit Kumar Dutta
School of Materials Sciences, Indian Association for the Cultivation of Science, Kolkata-700032, India
Email Id: [email protected];
Abstract:
Highly emissive isotropic CsPbBr3 perovskite nanocrystals are typically observed in a six-faceted cube shape. When a
unique approach was adopted and the reaction medium was enriched with halides, arm growth on all six facets was carried
out and reported. Analysis suggested that these armed nanostructures were obtained from intermediate polyhedron shaped
structures having 26 facets, and these were formed under halide-deficient conditions. Surface energy calculations further
supported the possible existence of all facets for both of these structures under different halide composition environments.
Arm lengths could also be tuned with a function of reaction temperature. Formation of stable facets in polyhedron shaped
nanostructures and their transformation to respective hexapods under halide-deficient and halide-rich conditions add new
fundamental concepts for these nanostructures and their shape evolutions.1 Further, these nanostructures were explored for
photocatalytic reduction of CO2 and their activities were compared with traditional cubic nanoparticles. With the support of
density functional theory, the adsorption and desorption probabilities of reactants/products in different facets were also
calculated and correlated with experimental findings.2 These results indicated that facets and defects of perovskite
nanocrystals are equally important for carrying out catalytic reactions.
Figure 1: Schematic presentation of formation of the hexapod
structure from the intermediate polyhedrons along with
corresponding microscopic images and comparison of catalytic
activities.
Reference:
1. J. Am. Chem. Soc. 2019, 141, 40, 16160–16168.
2. J. Phys. Chem. Lett. 2020, 11, 9, 3608–3614.
58
AO-10
Five Member Aromatic Heterocyclic Super alkali Complexes (M=Li, Na), A Promising Potential Hydrogen Storage System
Mrinal Kanti Dash1,2,$, Gobinda Ch. De1, Gourisankar Roymahapatra2* , Santanab Giri2 1Department of Chemistry, Cooch Behar Panchanan Barma University, Cooch Behar 736101, India
2School of Applied Science and Humanities, Haldia Institute of Technology, Haldia 721657, India *Email: [email protected], $Email: [email protected]
Abstract: In the concurrent world of growing energy demands hydrogen is considering to be one of the best alternatives to
the existing energy scenario. Although a large number of materials have been investigated for hydrogen storage, none of
them satisfies all the conditions and all the requirements to reach the highest target. In development of new hydrogen storage
materials, we have used six different aromatic five member heterocyclic systems (Immidazole, Pyrazole, Oxazole, Isooxazole,
Thiazole, and Isothiazole,).We have shown that the alkali (Li/Na) metallated heterocyclic system are stabilized as cation and
found to be super alkali[1] with a vertical electron affinity ranges 7- 9 eV. Quantum chemical calculations reveal that six
different aromatic five member heterocyclic systems can adsorb up to 5 H2 molecules with gravimetric wt% of 11. In all the
complexes alkali (Na and K) sites are interacting with molecular hydrogen
through ion induced dipole interaction; implying the process as physisorption.
Binding energy values favour gradual H2 adsorption.
Keywords: Hydrogen storage, Super alkalis, Physisorption
Reference:
[1] R. Parida, G. N. Reddy, A. Ganguly, G. Roymahapatra, A. Chakraborty and Santanab Giri, Chem. Commun., 2018; 54, 3903-3906.
Fig1: IsooxazoleLi (+) 5H2
59
AO-11
A New Class of Superhalogen Based Anion Receptor in Li-Ion BatteryElectrolytes1
Rakesh Parida
Email: [email protected]
Department of Chemistry, National Institute of Technology Rourkela
Abstract: In the search for new additives (anion receptors) in Li-ion batteryelectrolytes especially for LiPF6 and LiClO4, we
have theoretically designed boron-basedcomplexes by coupling with different heterocyclic ligands. The validation of the
formationof modeled compounds involves reproduction of available experimentally reportedabsolute magnetic shielding and
chemical shift values for different boron complexes. Ascompared to the commonly used tris(pentafluorophenyl) borane, our
designedcompounds suggest that the complexes like B[C2HBNO(CN)2]3, B[C2HBNS(CN)2]3,and B[C4H3BN(CN)2]3 are
promising additives.
1. R. Parida, G. N. Reddy,A. Chakraborty,S. Giri, M. Jana, J. Chem. Inf. Model. 2019, 59, 2159−2164
60
AO-12
Fabrication and Comparison of Wear Rate Characteristic of Al2O3 and ZrO2 based Ceramic Composite Material
Gaurav Tamrakar
Assistant Professor, Department of Mechanical Engineering, Kalinga University, Naya Raipur (CG)
ABSTRACT
Composite materials are materials consisting of two more distinct chemical constituents in different phases which combine
together to form new material with property unique to both of the material. In this research work we study about Al2O3 and
ZrO2 based polymer matrix ceramic composites. In polymer matrix ceramic composite the supporting structure consists of
polymer selected as epoxy (formaldehyde and phenol) and the ceramic acts as the filler material selected as Al2O3 and
ZrO2. We are try to study the abrasive wear properties of widely used composites Al2O3 and ZrO2 by varying the different
weight percentage 10%, 20%, 30% of the ceramics in the polymer matrix. Both ceramic composites are subjected to wear at
different concentrations in polymer matrix. For testing a wear rate we used Pin-on-disc Machine running at different RPM 250,
500, 750, 1000. The wear rate for both the ceramics at different concentrations are calculated and compared in order to find
the most optimum concentrations for each of the composites. Thereby the results of the two ceramic composites are to be
compared with each in order to find out the ceramic which brings about a better change in properties. The conclusions find,
wear rate for Al2O3 is less than ZrO2 thus Al2O3 is more wear resistant ceramic composite as compared to ZrO2.
Keywords: Alumina (Al2O3), composites, wear, zirconia (ZrO2).
61
AO-13
Mechanochemical Synthesis: a green method for the synthesis of N- and O-containing heterocyclic compounds
Nasseb Singh Synthetic Organic Chemistry Laboratory, School of Biotechnology, Shri Mata Vaishno Devi, University Katra-182 320, Jammu
and Kashmir, India
E-mail address: [email protected] &[email protected],
Abstract: Mechanochemical Synthetic Technique (MST) is one the emerging green methods of organic synthesis.1 It
involves the coupling of mechanical and chemical phenomenon. Do and Friščići et.al.regard mechanochemistry as a force of
synthesis.2 N- and O-containing heterocyclic compounds constitute a well recognized group of molecules that possesses
several types of biological activities and are known to be potent pharmacophores. In this paper, recent advances in the
mechanochemical synthesis of N- and O- containing heterocyclic molecular entities will be presented and described. This will
include different reactions, functional group transformations, catalytic processes, and photochemical processes that were not
carried under mechanochemical synthesis of organic molecules.
Keywords: Green Chemistry; Mechanochemical Synthesis; N-/O-Heterocycles
Acknowledgements: UGC New Delhi vide. F. No. 39–788/2010 (SR), SMVDU University Katra, CSIR-IIIM Jammu, and
University of Jammu.
Reference:
1. Schilter, D. Nat Rev Chem 2018, 2, 331
2. Do, J.L. & Friščić, T ACS Cent. Sci. 2017, 3, 1, 13-19
62
AO-14
γ-irradiatedSelenium Nanoparticles for Optical Sensing of Cancer Biomarker
Shalmali Basu, Debashree Das, Kamalika Sen*
Department of Chemistry, University of Calcutta, 92 APC Road, Kolkata 700009, India
Abstract:
Early detection and supervision of cancer using cancer biomarkers is a well focused area in recent research and development
field. Carcinoembryonic antigen (CEA) is the protein present in body which is associated with different types of cancer like
colorectal cancer, etc. Various methods like electrochemiluminescence, potentiometric, electrical, electrochemical methods
are already in use for CEA detection [1]. Low sensitivity and specificity of these methods demand optical detection methods to
take charge. In this novel study, use of selenium nanoparticles (SeNP) for optical detection of CEA has been studied. Results
establish efficacy of SeNP to sense CEA even at its low concentration when their respective UV-visible spectroscopy was
performed. Surface activity of γ- irradiated (24h, 72h) Se nanoparticle (γ-SeNP) was studied that could deliver higher signal
enhancement as it could sense CEA better compared to SeNP alone. Biotin (a part of vitamin B family) was incorporated to
SeNP and γ-SeNP for finer detection of CEA owing to its extremely high affinity and specificity towards many proteins [2].
Further modification of signal intensity was achieved using biotin which makes this optical method to be a sensitive as well as
specific one for superior detection of biomarkers.
Reference:
[1] Barman, S.C., Hossain, M.F., Yoon, H. and Park, J.Y., 2018. Biosensors and Bioelectronics, 100, pp.16-22.
[2] Hirsch, J. D., Eslamizar, L., Filanoski, B. J., Malekzadeh, N., Haugland, R. P., Beechem, J. M., and Haugland, R. P.,
2002.Analytical biochemistry, 308(2), pp.343-357.
63
AO-15
Design of C-2 methyl ether-based glycosyl donors towards stereoselective synthesis of 1,2-trans-β-O-glycosides
Mosidur Rahaman Molla, Dr. Rima Thakur*
National Institute of Technology, Patna, Email id: [email protected]
Abstracts: Oligosaccharides bearing 1,2-trans--O-glycosidic linkage is found in a large number of naturally occurring bio-
active compounds with prominent therapeutic properties.1 To understand the biological significance of newly isolated
compounds and to synthesize these biomolecules in larger scale for development of drugs and vaccines, it is pertinent to
develop stereoselective synthesis of the β-anomers.2 While 1,2-trans--O-glycosylation have classically been achieved by
neighboring group participation (NGP) of C2-O-acyl group, its strong “disarming” effect resulting in sluggish glycosylation and
possibility of side products giving rise to low yield has reduced its application.3 In contemporary glycochemistry, introduction
of “arming” ether based participating groups at C2 of the donors, especially benzyl ethers, has emerged as a promising
methodology for β-glycosylation.4 Owing to this synthetic significance, we became interested in developing C2-O-methyl
ether based stereodirecting participating groups on glycosyl donors. This presentation will include our recent explorations with
C2-cyanomethyl (CNMe)5 and C2-(4-methyl-tetrazole)methyl ether as orthogonal participating groups to obtain the 1,2-trans-
-O-glycosides in high to excellent stereoselectivity, good yields. The synthesis, stereoselective glycosylation, mechanistic
insights and removal of these novel methyl ethers will be key highlights of the discussion.
Reference
1. Zhu, X.; Schmidt, R. R. Angew. Chem. Int. Ed. 2009, 48, 1900−1934.
2. Shaw, M.; Kumar, A.; Thakur, R..Trends In Carbohydr. Res. 2017, 9, 1-28.
3. Fraser-Reid, B.; Grimme, S.; Piacenza, M.; Mach, M.; Schlueter, U. Chem. Eur. J. 2003, 9, 4687-4692.
4. Buda, S.; Nawój, M.; Gołębiowska, P.; Dyduch, K.; Michalak, A.; Mlynarski, J. J. Org. Chem. 2015, 80, 770-780.
5. Molla, M. R.; Das, P.; Guleria, K.; Subramanian, R.; Kumar, A; Thakur, R. J. Org. Chem. 2020,
doi.org/10.1021/acs.joc.0c01249.
64
AO-16
Designing of a Double-Edged Molecular Probe for Fluorescent Sensing of Serum Albumin and as an Optical Beacon
in Theranostics Application
SubhajitGuria,[a]Susanta Adhikari*[a]
[a]Department of Chemistry, University of Calcutta, 92 A. P. C. Road, Kolkata-700009, India
Email: [email protected]
Abstract:
Cells are the elemental unit of life that is capable of self-directed replication. However, the mechanism of autonomous
reproduction may sometimes be compromised by aging, genetic or environmental factors, leading to an unrestricted cell
division to generate an abnormal mass of tissue called tumors.An efficient way to treat tumor cells is by using
chemotherapeutic agents. However, their use is limited by their poor water solubility, low bioavailability, and non-specific
distribution in the body tissues and organs, leading to serious side effects and toxicity. To overcome this problem
encapsulation of chemotherapeutics using nanocarriers has gained significant attention. Albumin, an intrinsic ingredient of
blood, has been viewed as a promising biocompatible material for cellular imaging and drug delivery applications.1Herein, we
have designed a small-molecule probe: DFPAC-OH, which can specifically interact with serum albumin to generate a highly
sustainable fluorescent nano-aggregate: DFPAC-OH@BSA-NPs, useful for bioimaging and in-vitro drug-delivery applications.
Cellular internalization and pH-responsive drug-release behavior of a hydrophobic drug thymoquinone (TQ) encapsulated in
DFPACOH@BSA-NPs: TQ-DFPAC-OH@BSA-NPs has been evaluated in A549 cells. The cytotoxic effect and intracellular
Reactive Oxygen Species (ROS) generation were additionally examined to support the anticancer property of TQDFPAC-
References:
1. Wang,J.; Zhang, B. Curr. Med. Chem.2018, 25, 2938-2953.
2. Guria, S.; Ghosh,A.; Upadhyay, P.; Das, M. K.; Mishra, T.; Adhikary, A.; Adhikari, S. ACS Appl. Bio Mater.2020, 3, 5,
3099–3113.
65
AO-17
Design and Development of Methoxy-enriched Cationic Stilbenes for Anticancer Therapeutics
Tanushree Mishra, Susanta Adhikari
Department of Chemistry, University of Calcutta, 92, A.P.C. Road, Kolkata-700009, India.
Email:[email protected]
Abstract:
Stilbene-based compounds are largely described for their antioxidant activity. But their use as anticancer chemotherapeutics
is hampered by poor pharmacokinetic properties and non-selectivity towards cancer and non-cancer potency.1 To overcome
these drawbacks, twin chain cationic lipid conjugated, methoxy-enriched stilbene derivatives were designed, synthesized and
evaluated for their anticancer potency. Our findings reveal that HMSC16, a molecule with the highest number of methoxy
groups and with C16-twin chain lipid, is the most potent as well as the most selective anticancer agent when compared to the
other synthesized derivatives and commercially available stilbene-based drug, tamoxifen, and resveratrol. To justify these
results, we have conducted a series of mechanistic experiments where we found that HMSC16 induced ROS generation,
apoptosis, and autophagy by affecting the mitochondrial, lysosomal and nuclear pathways. Further cell cycle analysis data
reveals that HMSC16 not only induces cell death but is also involved in the arrest of the cell cycle at the sub-G1 phase.
Moreover, HMSC16 showed self-aggregation property owing to a possibly favorable hydrophilic-lipophilic balance. The self-
aggregation property of HMSC16 allowed it to entrap hydrophobic drugs, withaferin. With entrapped withaferin, HMSC16
showed additive if not synergistic cell killing effect in HeLa cells. From the above results, we concluded that HMSC16 can be
used not just as a drug but also as a drug delivery agent.2
References:
1. Kapetanovic, IM.; Muzzio, M.; Huang, Z.; Thompson, TN.; McCormick, DL. Cancer chemotherapy and pharmacology 2011,
68, 593-601.
2. Yousuf, Md.; Jinka, S.; Adhikari, S.; Banerjee, R. Bioorg, Chem., 2020, 98, 103719
https://doi.org/10.1016/j.bioorg.2020.103719
66
AO-18
Efficacy of 1,1-diphenylhydrazin on bioproduction of lactic acid
Prachi Prakash
Department of (Organic) Chemistry, B. N. Mandal University, Madhepura (Bihar)
Abstract:
The efficacy of 1,1-diphenylhydrazin on bioproduction of lactic acid byLactobacillus pentosus NCIM-2256 has been assessed.
It has been found that the mutagen, i.e., 1,1- diphenylhydrazin at concentrations 4.0×10–5M enchances the bioproduction
of lactic acid to an exent of 8.255% higher in comparison to control whileat5.0×10–5Mandonwardsconcentrationsof 1,1-
diphenylhydrazin inhibits the production of lactic acid to a great extent in comparison to control.
The influence of mutagens in fermentation technology specially lactic acid fermentation has been studied
extensively.Some mutagens where tested by many workers for different fermentations process and were found most of
them were found useful for higher production of the desired products. Thus, it is concluded that a large number of
mutagens have been employed to generate the mutatnts of differentmicrobesbutstilltherearesome chemical
mutagenswhose influence on production of lactic acidbyLactobacilluspentosusNCIM-2256have
notbeenwellstudiedandestablished.Therefore, in the present investigation the authors have made an attempt to study the
production of lactic acid by Lactobacillus pentosus NCIM-2256 exposed to exposed to1,1-diphenylhydrazin.
(Keywords: Lactic acid fermentation, 1,1- diphenylhydrazin and Lactobacillus pentosus NCIM-2256).
67
AO-19
Programmed Supramolecular Nanoassemblies for Biological Applications
Mijanur Rahaman Molla
Department of Chemistry, University of Calcutta, 92 A.P.C. Road, Kolkata-09
E-mail: [email protected]
Programmed supramolecular nanoassemblies and their triggered disassemblies are found to have a remarkable impact in the
field of targeted drug and gene delivery applications. In this aspect, stimuli responsive polymeric or dendrimer-based
nanoassemblies have been used as potential materials in nanomedicine. Though these materials have been widely studied to
find potentiality in nanomedicine, they showed some limitations such as metastability, lack of homogeneity, poor
reproducibility (for polymers), low solubility and non-degradability(for dendrimers). On the other hand, small molecular
amphiphile or bolaamphiphile-based nanoassemblies will be of great choice for drug delivery applications as they do not
show above said limitations. But, all these systems have a major drawback of premature disassembly due to dilution effect
while they are in the vascular system. Hence, to fabricate a robust nanocarrier to minimize the above said limitations, we
believe cross-linking the core or surface of the small molecule-based nanoassemblies will be the right choice.
To that end, we designed and fabricated a bolaamphiphilic cross-linked nanoassembly endows with pH responsive
degradation for stable noncovalent guest encapsulation and controlled release. The cross-linking was performed to further
stabilize the nanoassemblies at a concentration below its critical aggregation concentration (CAC) in a large volume of water
or serum for drug delivery applications. Thus, this system can simultaneously address premature drug release and safety
issues. The nanoassemblies integrated with a β-thioester linker, which can be hydrolyzed selectively under mildly acidic
conditions (pH ~ 5.3) at a slow rate, thus empowers controlled release of guest molecules. The biological evaluation revealed
that doxorubicin loaded cross-linked nanoassemblies (CNs-DOX) are nontoxic to normal cells such as HEK-293T or PBMC,
but in contrast, showed a robust apoptotic effect on colon cancer cells, HCT-116, indicating excellent specificity. Thus, the
fabrication reproducibility, robust stability, triggered drug release and cell selective toxicity behaviour makes this small
molecular system very promising in the field of chemotherapeutic applications.A detail account of the molecular design,
synthesis, self-assembly, triggered disassembly and biological evaluation will be discussed in the presentation.
References:
1) J. Zhuang, M. R. Sordon, J. Ventura, L. Li, S.Thayumanavan, 2013, 4, 7421-7435
2) M. R. Molla, P. Rangadurai, G.M. Pavan, S. Thayumanavan, Nanoscale, 2015, 7, 3817-3837
3) S. Mondal, M. Saha, M. Ghosh, S. Santra, K, Das Saha, and M. R. Molla, Nanoscale Advances, 2019, 1, 1571-1580.
4) S. Santra, M. A. Sk, A. Mondal and M. R. Molla, Langmuir, 2020, 36, 882-8289.
68
AO-20
Iron Oxide Nanoparticles: Synthesis, Morphological Analysis, Antibacterial Activity, Cytotoxic Effect on Lung Cancer
Cell line
Sangharaj Diyaliaand Bhaskar Biswas[a]*
aDepartment of Chemistry, University of North Bengal, Darjeeling 734013, India
Email- [email protected]
Abstract:
Focusing on the huge importance associated in developing functional materials, this research study deals with synthesis,
characterization of morphology, antibacterial activity and cytotoxic effect of iron oxide nanoparticles (IONPs). IONPs have
been successfully fabricated through thermal decomposition of a diiron(III) complex precursor. The morphology of the
nanoparticle has been delineated with different spectroscopic and analytic methods. Scanning and transmission electron
microscopy (FE-SEM and HR-TEM) analyses estimate the cross linked porous structure of IONPs with an average size ~97
nm. Dynamic light scattering (DLS) study of IONPs determines the hydrodynamic diameter as 104 nm. The cytotoxic behavior
of IONPs has been examined against human lung cancer cell line (A549) through acridine orange (AO), ethidium bromide
(EB) and Hoechst 33258 staining studies which ensure the mode of apoptosis for cell death of A549. Furthermore,
measurement of reactive oxygen species (ROS), loss of mitochondrial trans-membrane potential and depolarization pattern
suggest the destruction of mitochondrial membrane of Staphylococcus aureus, leading to effective bactericidal propensity
which holds a good promise for IONPs to become a clinically approved antibacterial agent.
69
AO-21
Elucidation of sulfamethazine-surfactant complexation via spectroscopy, neutron and light scattering techniques
A. Mavani, Aben Ovung, Jhimli Bhattacharyya*
Department of Chemistry, National Institute of Technology Nagaland, Chumukedima, Dimapur,
Nagaland – 797 103, Email: [email protected],[email protected]
Abstract:
In recent years, great progress has been achieved for drug’s targeted delivery and controlledrelease via surfactant system.
Micellar solubilization of poorly soluble drugs with surfactants iswidely used for the dissolution for selective and efficient drug
delivery. Sulfamethazine (SMZ), an antibacterial compound (widely used as veterinary medicine) can hinder the synthesis of
folicacid in micro-organisms and thus inhibits the bacterial growth. Though SMZ is a common pharmaceutical drug, it is
sparingly soluble in water. Here we have studied the complex formation of SMZ with Cetyl-tri-methyl-ammonium-bromide
(CTAB), a well-known cationic surfactant to increase its solubility and hence bio-availability. Different techniques like UV-vis
and fluorescence spectroscopy, Small Angel Neutron Scattering (SANS), Dynamic Light Scattering (DLS), Zeta potential
measurement have been used to monitor the formation, size(s) and charge(s) of the micelles during the complexation,
quantitatively. The increase in solubilityof SMZ was linear with increasing surfactant concentration, as a consequence of
associationbetween the drug and micelles. Surfactants also aide in the passage of active ingredients across various
membranes, that must be traversed in order for the active ingredient to reach the target site. Therefore, micellar solubilization
works as a smart solution to raise the bioavailability of sparingly soluble drug molecules.
Keywords: Surfactant, Micelle, SMZ, Drug delivery, Spectroscopy, SANS, DLS, Zeta potential
Acknowledgement: This research work is supported by UGC-DAE, Mumbai Center, BARC, Mumbai. Authors acknowledge
Dr. V. Siruguri, Director, UGC-DAE, Mumbai Center and Vinod, K. Aswal, Debes Ray; Solid State Physics Division, Bhabha
Atomic Research Centre, Mumbai (collaborator of the research scheme mentioned above).
70
AO-22
Elucidation of binding interactionsofsulfanilamide antibiotics to myoglobin by spectroscopic, calorimetric and
computational methods
Aben Ovung, Jhimli Bhattacharyya,*
Department of Chemistry, National Institute of Technology Nagaland
Chumukedima, Dimapur, India – 797103.
Email: [email protected], [email protected]
Abstract
Studies on the interaction of antibiotic drugs with bio-macromolecule are helpful for understanding their molecular aspects of
the binding path. In this study, interaction on the sulphanilamide antibiotic drugs, Sulfamethazine (SMZ) and Sulfadiazine
(SDZ) with heme protein, Myoglobin (Mb) have been elaborated through different analyses from spectroscopic, calorimetric
and computational approachs. The binding constant and apparent binding constant from the Benesi- Hildebrand plot and
Fluorescence quenching analyses, respectively were obtained to be in the order of 104 M-1 with SMZ having higher affinity
with Mb as compared to that of SDZ. The significant loss in the helicity of the protein and the perturbation of the protein
structure after binding with drug were confirmed by Circular Dichroism (CD), Infra Red and Synchronous fluorescence
spectra. The binding interaction was found to be dominated by electrostatic and hydrophobic forces as confirmed by pH, salt
and temperature dependent fluorescence studies and further complemented by molecular docking studies. Molecular docking
analyses presented best probable binding sites of the drugs into the protein pockets. The thermodynamics of binding was
estimated from the temperature dependent fluorescence experiments.Thus the present study explores the potential binding
properties of the well known sulfonamide drugs with myoglobin; correlating the structural& functional aspects and energetics
of the drug-protein interaction.
Keywords: Sulfanilamide, Myoglobin, Spectroscopy, Calorimetry, Molecular Docking, Thermodynamics
Figure 1. Chemical structures of (A) SMZ (B) SDZ and (C) Mb
71
AO-23
Pt/Co3O4 Surpasses Benchmark Pt/C: An Approach Toward Next
Generation Hydrogen Evolution Electrocatalyst
Rajkumar Jana,† Chandra Chowdhury,† Sudip Malik,*,‡ and Ayan Datta*,†
†School of Chemical Sciences, Indian Association for the Cultivation of Science, Jadavpur, Kolkata-32, India
‡School of Applied & Interdisciplinary Sciences, Association for the Cultivation of Science, Jadavpur, Kolkata-32, India
Abstract:
Rational design of composite hybrid structures tuned in atomic level interaction can circumvent the instability of the
water splitting catalysts. Here, low-temperature aqueous phase synthesis of a hybrid hydrogen evolution electrocatalyst
made of a few nanometer Pt clusters anchored on Co3O4 nanosheets with remarkable stability and superiority over the
state-of the-art Pt/C is achieved. Manipulation of cluster binding energy to support material gives rise to superior activity
(3.8 times) and extraordinarily enhanced durability. Pt/Co3O4 composite achieved current densities of 10 and 50
mA/cm2 at overpotentials as low as of 70 and 170 mV, respectively. A combinatorial approach of theory and experiment
opens an avenue to design HER catalyst beyond Pt/C.
Reference: Jana, R., Chowdhury, C., Malik, S., Datta, A., ACS Appl. Energy Mater.2019, 2, 5613−5621.
72
AO-24
Modification of Silver Nanoparticles to Spectrophotometric Sensor for Cysteine
Shamim Ahmed Khan, Tarun Kumar Misra*
Department of Chemistry, National Institute of Technology Agartala, Agartala, Tripura 799046, India
Abstract
Silver nanoparticles (AgNPs) exhibit absorption bands for surface Plasmon resonance (SPR) in the visible region.1 The SPR
band is sensitive to its prevailing environment. The added foreign substance may change the SPR band position.2 Utilizing
such phenomenon researchers have developed nanoparticle-based sensors for biologically and chemically important
molecules or ions3. Amino acids are the building block of different essential proteins and take part in various biological
pathways. Therefore, their deficiencies trigger many diseases. So, evaluation of amino acids in patient’s samples is an
important task for diagnosis purpose. Cysteine is an important amino acid responsible for many diseases and its minute
determination is required for diseases diagnosis. We have modified AgNPs surface with N-(1-napththyl)ethylenediamine
(NEDA+) cations which are fluorescent active species but it is quenched when these cations adsorbed onto the surface of
AgNPs. This modified AgNPs has been used as a spectrophotometric sensor (Fig 1 and 2) for cysteine in its anionic and
neutral forms. The detection limits (LoD to LoL) of anionic cysteine are 0.1786-1.589 µM and 0.0851 - 2.0 µM. In case of real
sample matrix, it shows 95% recovery results. However, neutral cysteine is less sensitive; 0.307-2.7 µM and 0.135-2.78 µM.
Aggregation kinetics was studied for evaluating association constants. Thus, NEDA-AgNps can act as a dual-tool sensor for
quantification of cysteine, both anionic and neutral forms.
References
[1] N. G. Bastús, J. Piella, and V. F. Puntes, Langmuir, 2016, 32, 290–300.
[2] R. Choudhury, A. Purkayastha, D. Debnath, T.K. Misra, J. Mol. Recognit. 2016, 29, 452.
[3] R. Choudhury, T.K. Misra, Colloids Surfaces A Physicochem. Eng. Asp.2018, 545, 179.
73
AO-25
In Silico Identification of a Potent Arsenic Based Lead Drug Di-phenyl phenoxy roxarsone
against SARS-CoV-2
Joyita Dutta 1, Gourisankar Roymahapatra1*
1School of Applied Science and Humanties, Haldia Institute of Technology, Haldia 721657, India.
*Corresponding Author: G. Roymahapatra, (email: [email protected]; [email protected])
Abstract:
In this articlewe have tried to address to plausible identification of a novel lead drug molecule against COVID-19. A series of
arsenical roxarsone derivatives were designed optimized and analyzed with in silico study to search the inhibitor of novel-
corona viral replication or to stop the life cycle. The molecules were screened based on their chemical reactivity with respect
to conceptual density functional theory (CDFT) and global reactivity descriptors. All the derivatives were blindly docked using
iGEMDOCK v2.1 individually with RNA dependent RNA polymerase (RdRp) of SARS-CoV-2, as it appears to be the primary
target of antiviral drugs. Based on the idock score in the catalytic pocket di-phenyl-phenoxy roxarsone identified as promising
inhibitor against SARS-CoV-2 with binding free energy calculated as -86.8 kcal/mol. Site specific docking was also executed
with target site, receptor binding domain (RDB) of spike glycoprotein of SARS-CoV-2 whose structure was computationally
designed using Phyre2 server. The interaction study of RDB with di-phenyl-phenoxy roxarsone revealed a binding energy of -
133.3 kcal/mol. Thus it can be concluded from the above in silico experiment that screening of potential arsenic drugs would
help in development of new therapeutic drug for COVID-19.
Key Word: Drug molecule design, di-phenyl-phenoxy roxarsone, COVID-19
74
AO-26
Synthesis, characterization, DNA binding and biological activity of
one Copper(II) Schiff base complex
Niladri Biswasa, Chirantan Roy Choudhurya*
Department of Chemistry
West Bengal State University, Barasat,
Email: [email protected], [email protected]
Abstract
Transition metal complexes with Schiff base ligands provide an interesting area for many chemists as well as biologists in
several research fields. The interaction of such kinds of metal complexes with DNA has been widely studied to develop
probes for the nucleic acid structures and chemotherapic agents. These type of complexes generally bind to DNA by
electrostatic binding, groove binding, intercalative binding or partial intercalative binding. In this present work, one dinuclear
copper(II) thiosemicarbazide complex, [Cu2(L1)2(N3)2], has beensynthesised and characterised by elemental analysis, IR, UV-
Vis, cyclic voltammetry and singlecrystal X-ray structure analysis. The DNA binding properties of copper(II) complex are
explored by employing UV-Vis, fluorescence spectral methods, cyclic voltammetry and also viscosity measurements. Protein
binding behaviour in vitro is studied by multispectroscopictechniques using both BSA and HSA. Furthermore, the molecular
docking technique has also been used toascertain the mechanism of action of the complex towards DNA, BSA and HSA.
Notably, the in vitrocytotoxicity of complextowards two cell lines (AGS and A549 cancer cells) demonstrates that complexhas
very good broad spectrum anticancer activity.
75
AO-27
Differential effect of selenourea and selenocystine on methemoglobinemia in nondiabetics and diabetics
Debashree Das1, Souvik Sen2, Kamalika Sen1*
1 Department of Chemistry, University of Calcutta, 92, APC Road Kolkata 700009
2 KPC Medical College & Hospital, 1F, Raja Subodh Chandra Mullick Road, Jadavpur, Kolkata, West Bengal 700032, India
Abstract: Organoselenium drugs like selenourea (SeU) and selenocystine (SeC) are found to exhibit potential anticancer
activity. However, little isknown about the interaction of these selenium containing drugs with the vital erythroidprotein
hemoglobin.Here, a comparative study of the interaction of organoselenium drugs with hemoglobin and heme moiety has
been performed using different spectroscopic techniques to find out their role on drug induced methemoglobinemia, a
hematological disorder caused due to excessive conversion of Fe2+ to Fe3+ in hemoglobin. We found that though these two
drugs have similar binding affinity towards hemoglobin, they have differential interactions with the heme group. SeU itself had
no effect on the absorption maxima of HbA at 630 nm with respect to time even with 400 µM concentration. However, it was
rapidly converted to nanoselenium in presence of nitrite and there was an increase in the absorbance rate at 630 nm in
presence of nitrite owing to the generation of reactive oxygen species in the medium. On the contrary, for similar ratio of
metHb to SeC (1:8), % reduction of metHb was found to be 27.46 ± 0.82 and 16.1 ± 2.4 for non-diabetic and diabetic
samples respectively, which implies lower efficiency of SeC in diabetics.
76
AO-28
Detection of alpha-emitting 238U using radiotracer by liquid scintillation counter-triple-to-double-coincidence ratio
technique
Nabanita Naskar1,*, Sayantani Mitra1,2, Susanta Lahiri1
1Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata-700064, India
2Department of Environmental Science, University of Calcutta, Kolkata-700019, India
*E-mail: [email protected]
U has three natural long-lived isotopes: U-238 (99.2742%; T1/2=4.468×109a), U-235 (0.7204%; T1/2=7.04×108a) and U-234
(0.0054%; T1/2= 2.455×105a). All have weak radioactivity however, U-238 is the common radioisotope and naturally occurring
primordial radionuclide. Presence of U-238 is often at trace concentrations in environmental samples, especially in
aqueous/water medium where it forms mobile uranyl ions. In many cases, decay properties of U-238 is considered for their
quantitative measurement in aqueous samples using liquid scintillation counter-triple-to-double coincidence ratio (LSC-TDCR).
However, reliable detection of alpha-emitting 238U depends on several chemical and physical parameters. To understand the
chemical behavior of 238U, different strengths of uranyl nitrate (UO2(NO3)) solution were prepared viz., 0.05, 0.1, 0.5, 1, 5, 10,
50, 100, 200 ppm U. 1 ppm U corresponds to ~0.114 Bq. In each case, 8 mL of U was mixed with 12 mL cocktail (an important
component in alpha-beta counting) and counted in LSC for 600 s. It was observed that lower U concentration (<10 ppm), alpha
activity could not be detected efficiently but at higher strengths, reliable activity was obtained. In respective cases, proper
blanks and references were prepared and counted in similar manner. From this study, it may be concluded that alpha-emitting
238U is detectable in LSC but with proper sample and standard preparations, amount of cocktail, instrumental parameters like
window settings, pulse length index, etc.
Reference:
[1] Naskar, N., et al. (2020). Radiogenic Quality Assessment of ground and riverine water samples collected from Indian
Sundarbans. Environ. Res. DOI: 10.1016/j.envres.2020.109407
77
AO-29
MOLECULAR DYNAMICS STUDIES OF EFFECTS OF GLUCOSE ON LIPID BILAYER
Somdev Pahari, Prof. Madhurima Jana
Department of Chemistry, National Institute of Technology, Odisha, India
Email: [email protected]
The crucial functional characteristics of a cell membrane, such as the dipole potential, hydration forces, excluded volume, etc.
depend on the orientation of interfacial water molecules. Further saccharides molecules are found to be accumulated by
several organisms to preserve bio membranes against various stresses like, temperature, oxidative, osmotic etc.1-3
Therefore, understanding membrane-saccharide interaction has been of great interest for the scientific community. There
exist few contrasting hypotheses on membrane-saccharide interactions that motivated us to explore the saccharide
concentration dependent modulation of lipid bilayer properties. In the present report we performed a series of molecular
dynamics (MD) simulations of 1, 2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) bilayer and glucose molecules with
varying concentrations. Emphasis has been given to study the reshaping of the DMPC bilayer by developing our own code.
We find that the thickness of bilayer decreases in presence of glucose, thereby making the DMPC bilayer thinner. Electron
density profile, curvature of bilayer, diffusivity of lipid molecules and hydrogen bonding indicates that higher concentration of
glucose stabilize the bilayer structure. We believe that our study would provide molecular level of understanding on the
membrane-saccharide interactions responsible to preserve the cell structure and biological functions.
REFERENCES
1. Steponkus, P. L.; Webb, M. S. Freeze-Induced Dehydration and Membrane Destabilization in Plants. In Water and Life:
Comparative Analysis of Water Relationships at the Organismic, Cellular, and Molecular Levels; Somero, G. N., Osmond, C.
B., Bolis, C. L., Eds.; Springer-Verlag: Berlin, Germany, 1992.
2. Thilo, L.; Trauble, H.; Overath, P., Low serum cholesterol and suicide, Biochemistry 1977, 16, 1283– 1290.
3. Welti, R.; Rintoul, D. A.; Goodsaid-Zalduondo, F.; Felder, S.; Silbert, D. F., Gel phase phospholipid in the plasma
membrane of sterol-depleted mouse LM cells. Analysis by fluorescence polarization and x-ray diffraction. J. Biol. Chem. 1981,
256, 7528–35
78
AO-30
Spectroscopic Studies of Sorbitol-Caffeine Interactions for Plausible Remediation of Diabetic Neuropathy
Bhavya Srivastava1, Souvik Sen2 and Kamalika Sen1*
1Department of Chemistry, University of Calcutta, 92 A. P. C. Road, Kolkata 700009, India
2K. P. C. Medical College, 1F, Raja Subodh Chandra Mullick Road, Jadavpur, Kolkata, 700032, India
Email: [email protected]
Abstract
Diabetic neuropathy (DN) is linked with the accumulation and oxidation of sorbitol, formed in the polyol pathway giving
fructose and advanced glycation end products (AGE), which are potential sources of hyperglycemia-induced oxidative
stress[1]. The measure of sorbitol in serum thus can act as a good indicator in the diagnosis and monitoring of the diabetic
complications[2]. To analyse the sorbitol level in serum medium, fluorometric enzymatic assay was performed[3]. To remove
the excess sorbitol from the body, proposed binding of sorbitol with caffeine was investigated. Their interaction in serum
medium was studied and established by UV-Vis, fluorescence spectrophotometry and time-correlated single photon counting
(TCSPC). The linear calibration of sorbitol (in the range 10 mM-50 mM) was done using UV-Vis spectrophotometry. Time
scan experiments furnished the reaction rate of sorbitol assayed solution as well as sorbitol-caffeine complex as 0.021 min-1
and 0.018 min-1 respectively. A sudden drop was observed in the fluorescence lifetime of NADH present in sorbitol assayed
solution upon complexation with caffeine i.e., from 1.774E-09 to 1.23E-10 s; which indicates the hindrance in the formation of
NADH and the probable formation of some other species. Isothermal titration calorimetric (ITC) experiments clearly indicate
the number of binding sites (i.e., 3.89, 1.40, 2.07) that exist between sorbitol and caffeine at the complexation ratio of 1:1.2,
1:1.5 and 1:3. The present method can be helpful in pharmacological and therapeutic studies of sorbitol using caffeine for
treating diabetic neuropathy.
References:
[1] Shi, G. J., Shi, G. R., Zhou, J. Y., Zhang,W. J., Gao,C. Y., Jiang,Y. P., Zi,Z. G.,Zhao, H. H., Yang,Y.,& Yu, J. Q.
(2018) Biomed. Pharmacother.101, 510-527.
[2] Amin, R., Ali, R. S., Hidayat, R., Permana, H., Kartasasmita, A. S., & Hilmanto, D. (2017) Int. J. Biol. Med. Res. 8, 6020-
6022.
[3] Shinohara, R., Ohta, Y., Yamauchi, M., & Ishiguro, I. (1998) Clin. Chim. Acta273, 171-184.
79
AO-31
Nitrogen Doped Carbon Quantum Dots-MnO2 Nanowires Based Fluorescence Probe for Detection of Cholesterol and
Glucose
Lakshita Dewangan, Manmohan L. Satnami School of Studies in Chemistry,
Pt. Ravishankar Shukla University, Raipur (C.G.) – 492010 Email: [email protected]
Abstract
Cholesterol and Glucose is clinically important analytes in human fluids and their sensitive detection is significant in
diagnosis. In this study, FRET based fluorescence “switch-off-on” of Nitrogen doped Carbon Quantum Dots (N-CQD) in the
presence of MnO2 Nanowires have been successfully applied to fabricate a fluoremetric biosensing platform for detection of
Glucose and Cholesterol. The Cholesterol and Glucose could be oxidised by Cholesterol oxidase (ChOx) and Glucose
oxidase (GOx) in accompanied with the formation of H2O2 intermediate. The H2O2 thus produced resulted in the
decomposition of MnO2 Nanowires (brown) to give Mn2+ ions (colorless), which induced the absorption of MnO2 Nanowires
decreased and the fluorescence of N-CQDs increased consequently. The linear detection ranges of Glucose and Cholesterol
are obtained in µmol range by fluorescent method. This strategy gives a new selection of eco-friendly precursors in carbon
nanomaterials and such a consecutive recognition process provides valuable insights for bio-analysis.
Keywords: N-CQD, MnO2 Nanowires, Cholesterol Oxidase, Glucose Oxidase, Cholesterol, Glucose.
80
AO-32
Sugar Based Xerogelfor Environmental Remediation
DipikaPan, Nira Parshi, JhumaGanguly*
Department of Chemistry, Indian Institute of Engineering Science and Technology, Shibpur, Howrah,
West Bengal-711103, India
E-mail: [email protected]* and [email protected]
Hydrogelis cross linked visco-elastic materials in presences of water molecules in three-dimensional network. The
hydrogel is rehabilitated to solid, Xerogel on dehydration of hydrogel. Xerogel has a few advantageous over hydrogel in terms
of enormous surface area, high porosity along with very small pore size, easier to handle and preservation. Here, a new
functionalized Xerogel has been developed from hydrogel of Chitosan/Cinnamaldehyde (CC, Fig.1).The driedCCis
characterized by the conventionaltechniques [1] and the efficiency in adsorption for its large surface area has been studied
with two model food additives, Carmoisine and Tartrazine in aqueous environment (Fig.2). These additives for food are
neurotoxic and allergic for human health and also in excess, may affect the liver of animal body. The optimization of operative
and prolonged adsorption capacity of CC has been investigated with variable environmental stimuli, concentration and time
using spectrophotometer. [2]The consecutive performance of the xerogel extends its sustainability as material and the sugar
based resources causes no further toxic wastes during remediation application.
References
[1]Nira Parshi, Dipika Pan, Vishal Dhavle, Biswajit Jana, Santu Maity, Jhuma Ganguly, International Journal of Biological
Macromolecules,1411 , 2019, 626-635
[2]S. Maity, N. Parshi, C. Prodhan, K. Chaudhuri, J. Ganguly, Carbohydr. Polym.,2018, 193, 119
Fig.2.Real image of food color adsorption
81
AO-33
Nanorings in Photodynamic Therapy
Dr Moumita Gangopadhyay*
*Assistant Professor, Department of Chemistry, Ghatal Rabindra Satabarsiki Mahavidyalaya, Ghatal, Paschim Medinipur
721212, West Bengal, India, E-mail: [email protected],
Photodynamic therapy (PDT) is one of the most promising cancer treatments of the modern era due to its non-invasive mode
of operation. PDT is a light-induced treatment modality involving a photosensitizer (PS), which absorbs light to reach its
excited state, wherefrom it can generate various reactive oxygen species (ROS), e.g. singlet oxygen, hydroxyl radical,
superoxide radical, etc.1 The hydrophobicity of first-generation PSs were a major drawback for in-vivo application,and
nanoparticle-mediated PSs were developed to overcome this drawback.2 The unique physical properties of
nanoparticles,such as their small size, shape, and large surface area, made them easily permeable inside the tumor cells.
Various nanoparticles have found extensive applications in in-vivo PDT, e.g. polymeric,4 organic,4 inorganic,3 semiconducting
metal-based nanoparticles,3 quantum dots,5 carbon dots, MOF,6 etc. Recent advancements in nanoparticle-based PDT have
revealed that nanorings show highly promising results.7 Researchers have reported that atomic-level nanostructures like
nanorings can provide larger surface area and better localized surface plasmon resonance than conventional nanoparticles,
which in turn afford better loading capacity for the PSs and extremely high photothermal conversion efficiency.
References
1. D. K. Chatterjee, L.S. Fong, Y. Zhang, Adv. Drug Delivery Rev.2008, 60, 1627-1637.
2. E. D. Sternberg, D. Dolphin, C. Brickner,Tetrahedron1998, 54, 4151–4202.
3. M. Sivasubramanian, Y. C. Chuang, L-W. Lo, Molecules2019, 24, 520-537.
4. Y-E K. Lee, R. Kopelman, Methods Mol Biol2011, 726, 151-178.
5. P. N. Joshi, J Anal Pharm Res2016, 3, 55-58.
6. J. Lu, L. Yang, W. Zhang, P. Li, X. Gao, W. Zhang, H. Wang, B. Tang, Chem. Commun., 2019, 55, 10792-10795.
7. Y. Wang,N. Gong,Y. Li,Q. Lu, X. Wang,J. Li,J. Am. Chem. Soc. 2020, 142, 1735−1739.
82
AO-34
Backbone Boron-Functionalized Imidazole Derivatives as Fluoride Sensors and as Ligand for Luminescent Copper
Complexes
Iruthayaraj Avinash, Sabeeha Parveen and Dr. Ganapathi Anantharaman
Department of Chemistry, Indian Institute of Technology Kanpur, U.P.-208016, India
Email: [email protected], [email protected]; Whatsapp No.: 9198048280
Backbone functionalization of imidazoles/imidazolium salts with Lewis base/donor group has drawn notable attention due to
their interesting coordination chemistry and the application of their metal complexes in catalysis, medicine, and materials.1
However, backbone-functionalization of imidazoles with Lewis acidic/acceptor groups are less explored. The incorporation of
a Lewis acidic group such as diarylborane (BAr2) at the backbone of imidazole could lead to interesting properties such as
luminescence and ambiphilic nature. Hence these molecules can be used as (i) efficient optical sensors for fluoride ions
whose contamination in drinking water has caused adverse effect to human health and (ii) ambiphilic ligands to synthesize
luminescent metal complexes.
In our pursuit towards the chemistry of novel and useful heteroatom-functionalized imidazole derivatives,2 in this work,
incorporation of a Lewis acidic BMes2 moiety at imidazole backbone has been achieved by metal-halogen exchange
procedure.3 Among them, two isomeric boron/phosphine-functionalized imidazoles, monoboron-functionalized imidazoles and
their imidazolium salts were synthesized. The metalation studies of BMes2 substituted P^N type imidazole ligand with CuI
afforded luminescent L2Cu4I4 type metal complexes. The fluoride sensing properties of BMes2 containing imidazole
derivatives were studied. In this oral presentation, the synthesis, reactivity, metalation and fluoride sensing studies of
backbone boron-functionalized imidazole derivatives will be discussed.
References:
1. (a) Bates, J. I.; Kennepohl, P.; Gates, D. P., Angew. Chem. Int. Ed. 2009, 48, 9844-9847; (b) Mendoza-Espinosa, D.;
Donnadieu, B.; Bertrand, G. Chem. - Asian J. 2011, 6, 1099– 1103.(c) Ruiz, J.; Mesa, A. F., Chem. Eur. J. 2012, 18, 4485-
4488; (d) Zhang, Y.; César, V.; Storch, G.; Lugan, N.; Lavigne, G., Angew. Chem. Int. Ed. 2014, 53, 6482-6486. (e) Ruiz, J.;
Mesa, A. F.; Sol, D., Organometallics 2015, 34, 5129-5135.
2. (a) Karthik, V.; Bhat, I. A.; Anantharaman, G., Organometallics 2013, 32, 7006-7013; (b) Karthik, V.; Gupta, V.;
Anantharaman, G., Organometallics 2014, 33, 6218-6222; (c) Tripathi, S.; Anantharaman, G., CrystEngComm 2015, 17,
2754-2768; (d) Karthik, V.; Gupta, V.; Anantharaman, G., Organometallics 2015, 34, 3713-3720; (e) Gupta, V.; Karthik, V.;
Anantharaman, G., RSC Adv. 2015, 5, 87888-87896; (f) Avinash, I.; Gupta, V.; Karthik, V.; Anantharaman, G., J. Organomet.
Chem 2017, 851, 104-114; (g) Avinash, I.; Parveen, S.; Anantharaman, G., J. Indian Chem. Soc. 2018, 95, 713-719.
3. Avinash, I.; Parveen, S.; Anantharaman, G., Inorg. Chem., 2020, 59, 5646-5661.
83
AO-35
First Example of Copper(I) Catalyzed Decarboalkoxymethylation of Alkyl 2-[1-(Pyridin-2-yl)-1H-pyrrol-2-yl]acetates
Sk Asraf Ali
Department of Chemistry, University of Calcutta, e-mail: [email protected]
Defunctionalization reactions have an important role for chemical synthesis especially for the preparation of simple organic
moiety from complex organic moiety. The greater bond dissociation energy of C-C bond or Carbon-heteroatom bond is the
main limitation of removal of functional groups. This higher activation energy of C-X bond form metal carbanion complex
which is the key intermediate of defunctionalization as well as the cross coupling reactions.Recently, chelation-assisted
transition-metal catalysed C-C/C-N bond formation has been powerful tool for selective organic transformation. Furthermore,
this strategy also provides a platform to execute previously unattainable reactions with more abundant and less expensive
first-row transition metals. Extensive study has been done over the decarboxylation reaction of aromatic or
heteroaromatic system via copper catalyst but metal assisted deesterifications are limited in recent era. Keeping
challenge in mind, we have first developed a copper-catalysed, pyridyl directed decarboalkoxymethylation of methyl 2-(1-
(pyridin-2-yl)-1H-pyrrol-2-yl)acetate derivatives. Moreover, the same transformation has been achieved by the metal free
simple approach via alkali mediate hydrolysis followed by the acidic workup. This methodology provided large array of
bicycle/tricyclic 2,5 unsubstituted fused pyrrole derivatives. The detailed mechanistic investigation and limitation of our
methodology also documented in this study.
84
AO-36
Construing the binding mechanism of Yohimbine with heme protein: A Biophysical Approach
Vibeizonuo Rupreo and Jhimli Bhattacharyya
Department of Chemistry, National Institute of Technology Nagaland, Chumukedima, Dimapur 797103, Nagaland, INDIA ,
Email: [email protected], [email protected]
Yohimbine (Yoh) is one of the most noted indole alkaloids with rich chemical and medical applications. This bio-active
compound is traditionally extracted from the bark of African yohimbe tree (Pausinystalia yohimbe). It is used as an
aphrodisiac since ages, but also is claimed to exhibit beneficial properties in the management of dysmenorrhoea,
hypertension, fevers, leprosy, coughs, antidiuresis, and as an anaesthetic. Looking at the vast applications of Yoh, it is well
understood that elucidation of binding interaction of this alkaloid with bio-macromolecules e.g., proteins, followed by
estimation of thermodynamic profile will be beneficial towards sustainable drug development. Thus we report the interaction
studies of Yoh and the oxygen transporting heme protein, haemoglobin (Hb) using various spectroscopic techniques (UV-Vis,
fluorescence, FTIR) and finally estimated the overall dynamics of the binding phenomenon. Stable 1:1 complex formation
between Hb and Yoh with good binding affinity (order of the binding constant is 105 M-1 at 298 K). Occurrence of isosbestic
point in the absorption spectra indicates equilibrium between the free drug and the bound drug with Hb. The conformational
perturbation of Hb structure was revealed by infra red (IR) data due to incorporation of the drug inside the 3D protein moiety.
Thermodynamics of the interaction was estimated from the temp dependent fluorescence experiments.
Keywords: Yohimbine, Indole alkaloid, Myoglobin, Protein-Drug Interaction
Acknowledgement: This academic research work is supported by NER-Twinning Project Scheme, DBT, Govt. of India and
TEQIP-III, NIT Nagaland. Authors acknowledge Dr. Souvik Maiti, Senior Principle Scientist, CSIR-Institute of Genomics and
Integrative Biology, New Delhi (collaborator of the twinning scheme mentioned above).
85
AO-37
Aldolase Cascade by Self Assembled Nanotubes of Short Peptide Amphiphile
Antara Reja
IISER, Kolkata
Present biology uses a number of highly evolved enzymes in complex chemical networks to achieve the cascade of events
required for anabolic and catabolic pathways. The remarkable catalytic prowess of such modern enzymes arises from
complex three-dimensional structures accessed by long peptide sequence which folds to create binding sites featuring
specific resides. Precise arrangement of such residues helps in manipulating protonation events, inducing a charge-transfer
relay network to polarize and activate nucleophile or electrophile and so forth. Interestingly, unlike extant enzymes which work
on very specific substrates and usually specialize in only one reaction, the primitive catalyst had very broad specificities.
Fewer rudimentary enzymes showed promiscuity in the primordial conditions as they were capable of working on multiple
substrates, catalyzing forward and reverse steps for the cascade of reactions required for early metabolic capabilities and
thus contributed greatly towards enrichment of the chemical inventory. Gradual divergence towards specialized roles of
enzymes happened through duplication, mutation and selection which led to the existing diversity of biocatalysts and their role
towards increased metabolic efficiency. For instance, modern aldolases act as lyases which use lysine and tyrosine in the
binding pockets for selectively catalyzing the forward and the reverse steps of the aldol cascade. Carbon-carbon bond
manipulation is critical for diverse reactions, from formose reaction to modern metabolic pathways such as Calvin cycle and
glycolysis. We asked whether a short peptide capable of accessing homogenous nanostructures would be able to foreshadow
the generation of an enzyme binding pocket and catalyze both the forward and reverse steps of C-C bond cascade
transformations. Towards this end, we report self-assembled nanotubes capable of carrying out two of the most critical
transformations in extant biology, selective carbon-carbon bond breaking/formation, and importantly directing cascade
reactions for specific condensation product distribution.
86
Award Papers
Award Poster (1 – 11)
87
AP-1
Bi-dented Schiff Base Coordinated Cu (II) and Zn (II) Complexes : Synthesis, Crystal Structure, DNA/Protein Binding,
Molecular Modelling Study and cellular nuclear morphology
Manik Das1 and Tithi Maity2*
1Department of Chemistry, Prabhat Kumar College, Contai, Email: [email protected]
2 Department of Chemistry, Prabhat Kumar College, Contai, Email: [email protected]
Abstract:
Two new metal complexes of Cu(II)1 and Zn(II) 2having two bi dented two Schiff base ligands (E)-4-bromo-2-(((4-
bromophenyl)imino)methyl)phenol (HL1) and (E)-2-(((4-bromophenyl)imino)methyl)phenol (HL2) have been synthesized and
identified by CHN analysis and UV and NMR spectroscopy. Single crystal X-ray analysis revealed that the two complexes
are mononuclear four coordinated system and there are substantive CH...π and π...π interaction in the crystal packing of
complex 1 and 2 respectively. After thorough characterization, the complexes are exploited to check their bio-medical
applications. The efficacy of the complexes with respect to the interaction with DNA and protein were investigated by adopting
electronic spectral titration,circular dichroism spectal titration and viscosity measurement. The fluorescence intensity
quenching of Ethedium Bromide-DNA adduct and HSA after gradual addition of incremental concentration of complexes with
quenching constant in the order of 105 M-1 clearly indicate the effective interaction of the complex 1 and 2 with DNA/protein.
The binding constant value shows that complex 2 has higher DNA binding ability than complex 1 where as in case of HSA the
situation appeared to be reverse. Molecular docking study will exhibit a good justification of the experimental result. Moreover
the cellular staining technique with AO and PI unveil early apoptosis process by the complexes.
88
AP-2
A fight between Defense Weapons of the Immune System and COVID-19 virus
Ananya Das Mahapatra, Dr. D. Chattopadhyay, Prof. Chittaranjan Sinha
ICMR – National Institute of Cholera and Enteric Diseases
P-3, C.I.T Road, Scheme – XM, Beliaghata, Kolkata – 700010
Abstract: The Coronavirus disease 19 (COVID-19) is a highly transmittable and pathogenic viral infection caused by severe acute
respiratory syndrome Coronavirus-2 (SARS-CoV-2), which first occurred in Wuhan City, Hubei Province, China and spread
around the world.On January 30, 2020 the World Health Organization declared the outbreak as a Public Health Emergency of
International Concern. If our immune system unable to fight back the virus goes down the wind pipe and infect lungs and it
hampers gas exchange through lungs. In addition, most of patients with severe COVID-19 displayed significantly increased
serum levels of pro-inflammatory cytokines (e.g. IL-6, IL-1β, IL-2, IL-8, IL-17, G-CSF, GM-CSF, IP-10, MCP-1, CCL3, and
TNFα) and particularly, the massive “cytokine storm” reflects a widespread uncontrolled dysregulation of the host immune
defense. Thus, given the key role of the immune system in COVID-19, thoughtful machinery behind the immune
dysregulation might give us clues for the management of the severe cases and for preventing the transition from mild to
severe stages. We would like to highlight about the story behind global crisis due to COVID-19 disease severity and immune
response.
89
AP-3
New Insights into Interactions between Anti-Alzheimer’s drugs and Functionalized-Ionic Liquid
Srishti Sharma and Kallol K Ghosh*
*School of Studies in Chemistry, Pt. Ravishankar Shukla University, Raipur (C.G.),492010
Email- [email protected]
Considering the imminent role of ionic liquids in pharmaceutical industry, the interaction of amino acid functionalized-ionic
liquid (AIL) i.e., 4-((hydroxyimino)methyl)-1-(2-(octylamino)-2-oxoethyl)pyridin-1-iumbromideO=C(NCCCCCCCC)
C[N+]1=CC=C (C=NO)C=C1.[Br-] abbreviated as 4-PyC8with anti-Alzheimer’s drugs viz. 1,2,3,4-tetrahydroacridin-9-amine
(tacrine) and 7-methoxy-N-(2-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethyl)-1,2,3,4-tetrahydroacridin-9-amine
trihydrochloride (PC-37) have been studied at physiological conditions. Here, tacrine is a standard whereas PC-37 is a
synthesized anti-Alzheimer’s drug. The inclusion complexation, characterization and binding ability of 4-PyC8 and anti-
Alzheimer’s drugs has been investigated both in aqueous and solid state by UV-vis, fluorescence, FTIR and 1H NMR, COSY
and NOESY spectroscopy. The UV-vis spectroscopy study confirms the formation of a new complex between IL-anti-
Alzheimer’s drugs and FTIR confirms their interaction. The shifts in the 1H NMR spectra also supports that the IL has
interacted with drugs. The results obtained from 1H NMR is in agreement with FTIR. The current investigation unravels that
the IL w
90
AP-4
Mesoporous Boron Carbon Nitride (BCN): A Robust Material for Ultrafast Dye Degradation
Indrapal Karbhal
School of Studies in Chemistry, Pt. Ravishankar Shukla University Raipur (C.G.)
E-mail: [email protected]
Mesoporous Boron Carbon Nitride has been synthesized by a very facile method using silica nanoparticles as a template.
Boric acid, cyanamide and glucose have been used as a source of boron, nitrogen and carbon respectively. Doping of B and
N play a key role to degrade the dyes and both the B and N act as electrophile and nucleophile respectively, which are
responsible for the degradation of the dyes. The following dyes such as methylene blue (MB), rhodamine B (RB) and methyl
orange (MO) have been treated with mesoporous Boron Carbon Nitride and the very exciting result were obtained, the dyes
were degraded within 5-10 min under visible light. Around 80-90 % of dye degraded within a very short time due to material
properties such as high surface area as well as B and N doped playing a key role to generate hydrophilicity and increases the
wettability as well as unique porous morphology to access the dye. All the properties show the material is a robust and active
metal-free catalyst for dye degradation and the advantage of the material is very cheap, scalable and reusable.
Abstract: Boron Carbon Nitride (BCN), Dye degradation, Metal-free catalyst, methylene blue (MB), rhodamine B (RB) and methyl orange (MO)
91
AP-5
Acid Mine DrainageAggregation Behaviour ofCationic and Anionic Surfactants in
presence of Imidazolium Based Ionic Liquid
Lavkesh Kumar Singh Tanwar,and Kallol K. Ghosh*
School of Study in Chemistry, Pt. Ravishankar Shukla University, Raipur-492010 (C.G.)
Email- [email protected]
Abstract:
Herein, theaggregation behaviour ofcationic and anionic surfactants, [cetyl-trimethylammonium bromide (CTAB) and sodium
dodecyl sulphate (SDS)] have been investigated in different wt% of ionic liquid (IL) viz. 1-decyl-3-methyl-imidazolium tetra
fluoroborate [Dmim][BF4]in aqueous medium.Significantparameters, such ascritical micelle concentration(CMC), interfacial
and thermodynamic parameters have beencalculatedusing surfacetensiometery and conductivity measurements.The
aggregation behaviour (Nagg) and Stern-Volmer constant (Ksv) has been evaluated using fluorescence spectroscopic
technique via.steady-state fluorescence quenching method.Micellization behaviour of surfactants have been studied by FTIR
spectroscopy.It has been observed that CMC value of SDS significantly decrease on interaction with different wt% of
[Dmim][BF4] IL which may be due to the stronger electrostatic interaction of�����ions (SDS) with imidazoliumcation of
[Dmim][BF4] IL, whereas, no significant changes was observed in case of CTAB.This studyconclude that the CMC values of
pure surfactants decreases in the presence of different wt% of IL,while SDS shows significant decrease in the CMC values.
92
AP-6
Studies of Host-Guest supra molecular inclusion complexation between functionalized
Ionic Liquid and Cyclodextrins
Subhashree Jayesh Pandya and Kallol K Ghosh*
School of Studies in Chemistry,
Pt. Ravishankar Shukla University, Raipur (C.G.)492010, India.
E-mail:[email protected]
Abstract:
Host-guest complexation between oxime functionalized ionic liquid (IL) (S)-2-((hydroxyimino)methyl)-1-(2-((1-(octylamino)-1-
oxo-3-phenylpropan-2-yl)amino)-2-oxoethyl)pyridin-1-ium bromide (2-PyPheC8)with cyclodextrins (α and β CDs) have been
studied. The formation of inclusion complexes (ICs) were confirmed by UV–vis spectroscopywhich further have been
validated byFT-IR,1H NMR and COSY methods.The binding constant of ICs complex was determined byUV–vis spectroscopy
and the effect oftemperature was also checked. Job's plot methodrevealed formation of 1:1 stoichiometry. Significant
thermodynamic parameters like enthalpy (∆H), entropy (∆S) and Gibb’s free energy (∆G) were also calculated. The H-
bonding, electrostatic force and hydrophobic interactions were involved in the formation of complexation.
93
AP-7
Photoluminescence Amplification of Cerium Attached Graphene Oxide Nanoparticles:
Exploration of the Role of Cerium
Dinesh Kumar Pyne[a], Tuyan Biswas[a], Shovon Chatterjee[b], Arnab Halder[a]*
[a]Department of Chemistry, Presidency University, Kolkata 700073, India.
Email: [email protected], [email protected]
[b] Department of Chemistry, IIT Kanpur, Kanpur-208016, India.
Abstract:
Amplification of photoluminescence intensity of graphene oxide based nanoparticles (GONP) has becoming a major
challenge in material science because of excellent applicability of the materials in optoelectronics, fluorescence-imaging,
optical sensing and drug delivery. Success is still untouched in spite of several attempts by tagging of organic dye molecule
and the complexes of lanthanide elements. Here, we report an one-pot synthesis to develop highly luminescence GONP
incorporated with cerium ions to study the origin of photoluminescence amplification depending upon binding modes of
cerium ions with GONP. Although the aqueous chemistry of cerium ion facilates the existence of non-emissive Ce (IV), but,
the binding of trivalent luminescent cerium in the core of the GONP and the photoinduced reduction of Ce (IV) by GONP
through different non-radiative pathways involving low lying states of GONP results more than 100 fold amplification of
photoluminescence intensity compared to GO. The mode of interaction and energy transfer have been investigated to
understand the photoluminescence enhancement by using steady state as well as time resolved luminescence spectroscopy.
Presence of two oxidation states of cerium has been confirmed by XPS.
Keywords: Graphene oxide, Nanoparticles, Photoinduced reduction, Energy transfer.
Reference:
1. X.-P. Wu, L. Gagliardi, D. G. Truhlar, J. Am. Chem. Soc. 2018, 140, 7904.
2. B. Liu, J. Xie, H. Ma, X. Zhang, Y. Pan, J. Lv, H. Ge, N. Ren, H. Su, X. Xie, L. Huang, W. Huang, Small. 2017, 13,
1601001.
94
AP-8
A Study of Removal of Methylene Blue Using Ceramic Pellets
Priyanka Sharma and Kushal Qanungo Division of Chemistry, University Institute of Science, Chandigarh University, Gharuan, Mohali, Punjab- 140413, E-mail:
Abstract:
Cylindrical ceramic pellets of 6 mm diameter and 5 mm height, have been prepared using low fire clay and water in mild steel
mould and fired at 850 ºC in a muffle furnace. The pellets have been used to absorb a cationic dye methylene blue from
aqueous solutions. We present here a study of methylene blue removal by these pellets using several kinetic models to
understand the kinetics of adsorption process.
95
AP-9
Cu-MOF Interwoven rGO as a High Capacity Supercapacitor Electrode Material
Mayank K Singh1#, Anoop K Gupta2#, Sarathkumar K1, Dhirendra K Rai1*
1Discipline of Metallurgy Engineering and Materials Science, Indian Institute of Technology Indore
2Discipline of Chemistry, Indian Institute of Technology Indore
#Equal Contribution, *Corresponding author: [email protected]
ABSTRACT
In this epoch of energy crisis, there is a continuous mismatch of energy demand and supply.To overcome this sustained
problem, a possible solution is to design high-efficiency energy storage materials.In this work, Cu-MOF has been synthesized
using a tetracarboxylic acid linker (H4L: 3,3’,5,5’-tetracarboxydiphenylmethane) by solvothermal technique, which has been
used to fabricate a composite with rGO (reduce graphene oxide) using an eco-friendly, fast and simple ultrasonication
approach. The resulting Cu-MOF-rGO composite was probed by various physicochemical characterization techniques. The
supercapacitor performance of the materials, investigated by cyclic voltammetry (CV), galvanostatic charge/discharge (GCD),
cyclic performance, and electrochemical impedance spectroscopy (EIS), shows that the composite material exhibits high
specific capacitance (CS) of 366.6 Fg-1 at 1A g-1with excellent cyclic stability.All the results suggest that as-prepared material
could be a promising candidate for electrode material in supercapacitor applications.
Figure 1: Schematic illustration of hybrid material for energy storage application
Keywords: Hybrid Materials, Supercapacitor, Ultrasonication, Eco-friendly, Cyclic voltammetry, Specific Capacitance
96
AP-10
Identification of Natural Products Possessing Glucagon Like Peptide-1 Receptor Agonist Activity from the
Plants Recognized to have AntiDiabetic Potential
Debanjan Chatterjee 1 , Asutosh Goswami 1 ,Alok Jain1 , Abhijeet S. Kate*
National Institute of Pharmaceutical Education and Research (NIPER)-Ahmedabad ,Opposite Air force base station Palaj
,Gandhinagar, Gujarat-382355,India *Corresponding author – [email protected]
Abstract:
Diabetes mellitus is a chronic metabolic disorder responsible for morbidity in the western world and is gradually becoming
prevalent in developing countries too. Hypoglycaemia(Sulfonylurea),diarrhoea (Biguanide) are major issues of available
therapies for T2DM . Extensive research brings out various new targets including Glucagon Like Peptide-1(one synthetic drug
is recently approved by USFDA, Rybelsus by Novo Nordisk), is the newest therapeutic targets and it is also increases the
insulin secretion, reduces gastric emptiness, increase glucose uptake and storage in skeletal muscle and liver. But this orally
bioavailable semaglutide is costlier (774$ per month) for the T2DM sufferers of developing countries. Natural products has a
vast history for curing disease and it contains different varieties of skeletons with various bioactivities, provides a great
opportunity for the development of new lead or drugs with potent activity as GLP-1R agonist. Initially 251 small molecules
were selected for in silico study based on their preliminary in vitro anti diabetic activity in different cell line. Among these 251
compounds ‘A’ , ‘B’, ‘C’, ‘D’, ‘E’ , ‘F’ have shown good in silico anti diabetic activity in different molecular docking software
based on their binding affinity and interaction with different amino acid against GLP-1 model . Depending upon the in silico
data top screened molecules, two molecules is isolated by targeted isolation in sufficient quantity .Then the structure is
confirmed by characterization study and finally in vitro GLP- 1 assay and molecular dynamics study, will be performed for the
establishment of mechanism of action.
Acknowledgements Dr.Abhijeet S.Kate , Dr.Alok Jain National Institute Of Pharmaceutical Education and Research – Ahmedabad (NIPER-Ahmedabad) References 1. Patel, D. K. et al. (2012) ‘An overview on antidiabetic medicinal plants having insulin mimetic property’, Asian Pacific Journal of Tropical Biomedicine. Asian Pacific Tropical Biomedical Magazine, 2(4), pp. 320–330. doi: 10.1016/S2221- 1691(12)60032-X. 2. Fonseca, V. A. et al. (2012) ‘The American Diabetes Association diabetes research perspective’, Diabetes, 61(6), pp. 1338–1345. doi: 10.2337/db12-0435. 3.Holz, G. G., Leech, C. A. and Habener, J. F. (2000) ‘Insulinotropic toxins as molecular probes for analysis of glucagonlike peptide-1 receptor-mediated signal transduction in pancreatic β-cells’, Biochimie, 82(9–10), pp. 915–926. doi: 10.1016/S0300-9084(00)01171-8. 4. Newman, D. J. and Cragg, G. M. (2007) ‘Natural products as sources of new drugs over the last 25 years’, Journal of Natural Products, 70(3), pp. 461–477. doi: 10.1021/np068054v. 5. Lau, J. et al. (2015) ‘Discovery of the Once-Weekly Glucagon-Like Peptide-1 (GLP-1) Analogue Semaglutide’, Journal of Medicinal Chemistry, 58(18), pp. 7370–7380. doi: 10.1021/acs.jmedchem.5b00726
97
AP-11
Structural insights into the binding mechanism prediction of triazolothiadiazoles as human deoxycytidine
triphosphate pyrophosphatase 1 inhibitors through molecular modelling studies
Shashank Shekhar Mishra, Chandra Shekhar Sharma
Department of Pharmaceutical Chemistry, Bhupal Nobles’ College of Pharmacy,
Bhupal Nobles’ University, Udaipur-313001, Rajasthan, India
The dCTP pyrophosphatase 1(dCTPase) enzyme modulates the cellularnucleotide pool by the catabolism of noncanonical
and canonical dNTPs. Various research investigations suggest that dCTPase is associated with cancer progression, cancer
cell stemness, association with poor clinical prognosis and decreasedresponse to anticancer nucleoside analogues. The
objective of the present investigation is to elucidate the structural features which are responsible for dCTPase enzyme
inhibition by structure activity relationship study. To design novel, potent inhibitors, we investigate the binding mechanism
through molecular docking, and molecular dynamics simulation. Experimentally validated triazolothiadiazoles based inhibitors
were identified from the literature and 2D and 3D QSAR studies were carried out by VLifeMDS plateform. The robust 2D and
3D QSAR model was selected on the basis of statistical values. The study suggests that the presence of an additional
electronegative atom at the benzene ring increase the inhibition. Docking study reveals that the all inhibitors show excellent
binding with target protein. The dynamics simulation results indicate that the systemwas perfectly equilibrated and acceptable
for small, globular proteins. This investigation provides the lead for the design and development of novel and potent dCTPase
inhibitors. The study also explores the new target in the search of potential anticancer drug.
98
Contributory Papers
Oral Presentation (1-68)
99
OP-1
2019-nCoV
Md. Mobashshir Sulaiman
(B.Sc. Chemistry from Oriental College Patna City, Patna, Patliputra University), e-mail-
[email protected], Whatsapp No.- 6209964887
Dr. Aftab Ahmad Sulaiman (Assistant Professor Engg. Chemistry School of Technology Maulana Azad National Urdu
University(A Central University), Hyderabad Satellite Campus Darbhanga), e-mail- [email protected]
Abstract-
Covid-19 derived from Coronavirus Disease 2019 (COVID-2019). Symptoms - : • Fever • Cough • Shortness of breath.
Exposures: If clinical or exposure history are concerning for COVID-2019: 1) Isolate patient: Provide face mask and use N95
respirator, gowns, gloves and eye protection to assess patient AND 2.Most people infected with the COVID-19 virus will
experience mild to moderate respiratory illness and recover without requiring special treatment. Older people, and those with
underlying medical problems like cardiovascular disease, diabetes, chronic respiratory disease, and cancer are more likely to
develop serious illness. Vaccines: - Further novel vaccines and drugs are expected within a month after going through the
trial period in which few of them are as follows.
Sodium Citrate
Key words;Hydroxychloroquine,sodium citrate,azithromycin,N95.
Reference : Title- A Textbook of Immunology and Immunotechnology, Author- B.Annadurai, Publisher- S. Chand
Publishing, 2008, ISBN- 8121928079, 9788121928076, S. Chand Publishing, 2008, Length- 306 Pages.
100
OP-2
Reviewing the chemistry of interaction of anticancer drugs with Human serum albumin
Anu Radha#*,Ritika Vaishnav1, Nancy Jaswal2, Lalit Sharma3
#Assistant Professor, Division Chemistry- UIS, Chandigarh University, Gharuan, Punjab,
*Research Scholar, I.K. Gujral Punjab Technical University, Jalandhar, Punjab.
3Professor, Shaheed Bhagat Singh State Technical Campus, Firozpur, Punjab.
1,2 M.Sc. Student, Division Chemistry- UIS, Chandigarh University, Gharuan, Punjab
*Corresponding author: Anu Radha, Assistant Professor, Division Chemistry- UIS,
Chandigarh University, E-mail: [email protected]
Abstract
The objective of this review is to study the interaction of plasma proteins with different anticancer drugs. Clinical medicines,
chemistry and life sciences acquire the major interest in this field of study. Plasma protein binding is the unit by which
medicines get attach to blood proteins. Depiction of biological features of protein is usually performed by vital metal ions
binding on drugs through the riconfiguration. Pharmacodynamics and pharmacological effect on drugs determines the drug
protein interaction property of a drug. These factors also determine the manner of action, uses of drug and effect of this on an
organism. A drug should grasp the target site, specifically as well as professionally for the enhanced treatment result. At the
present cancer is the main disease spreading tremendously. Hence forth numerous anticancer drugs have been equipped for
the detection and treatment of cancerous cells. This study deals with the drugs that act as inhibitors for the progression of
timorous cells and also prevents the growth of these cancers in stigating cells.
Keywords:PlasmaProtein, Anticancer drugs,Depiction,Pharmacological,Pharmacodynamics.
SCHEME: Figure showing the interaction of drugs and metal ions with albumin at their particular binding sites
101
OP-3
Synthesis, structural investigations and antimicrobial application of Zn(II) complexes with nitrogen, oxygen donor
macrocyclic Schiff base ligands incorporating nitrogen-containing heterocyclic ring
Arti Vishwkarma, Soumitra K. Sengupta
Department of Chemistry, DDU Gorakhpur University, Gorakhpur-273009, India
Email Id- [email protected]
ABSTRACT
A new series of macrocyclic zinc(II) complexes have been prepared by the template synthesis of Schiff bases derived from 3-
(phenyl/ substituted phenyl)-4-amino-5-hydrazino-1,2,4-triazoles and salicyldehyde/ 2-hydroxy-1-naphthaldehyde with 1,5-
dibromopentane/1,4-dibromobutane in the presence of zinc(II) acetate in equimolar ratio in ethanol. Tentative structures of
the complexes have been proposed with the help of spectral techniques (IR, 1H-NMR and 13C-NMR) and elemental
analyses; while surface morphology and particle size of the complexes has been investigated by SEM and PXRD studies.
The antimicrobial studies were conducted to assess the growth inhibiting potential of the ligands and their corresponding
complexes against different species of pathogenic fungi and bacteria.
Keywords: Zinc(II) complexes, IR, NMR, SEM, PXRD, Antimicrobial.
102
OP-4
Controlled Release of 5-Fluorouracil by a Novel L-Lysine Based Polyesterurethane Material
Synthesized from Epoxide and CO2 via a Novel Dicopper Salen Catalyst
Arunangshu Kundu1; Gobinda Chandra De1, Sushobhan Ghosh
1Department of Chemistry, Cooch Behar PanchananBarma University , Cooch Behar, West Bengal 736101, India.
2Department of Chemistry, ICT,Mumbai, India. Email: [email protected]
Abstract: Controlled release of anticancer drug 5-Fluorouracil by several delivery systems are known including porous
polymeric materials. Herein we report a novel L-lysine based porous polyesterurethane material 1 which acts as a controlled
release vehicle for 5- Fluorouracil. Polyesterurethane material 1 was synthesized from a green isocyanate and phosgene free
synthetic route involving conversion of epoxide 2-(phenoxymethyl)oxirane and CO2 to cyclic carbonate 2 followed by ring
opening with an amino acid LLysine to a bishydroxy compound 3 under green aqueous reaction condition. The bishydroxy
compound 3 was subsequently reacted with 0.66 equivalent of trimesyl chloride in presence of triethyl amine to get the
polyesterurethane material 1. The polyesterurethane material 1 was characterized via NMR, IR and MALDI analysis. From
the SEM image of the polyesterurethane 1 and 5-Fluorouracil encapsulated polyesterurethane 1 it is evident that the material
1 remain with porous topology which is filled by 5 Fluorouracil that is further evidenced by EDX spectroscopy with the
presence of Fluorine. The controlled release of 5-Fluorouracil from the drug encapsulated 1 was monitored via UV visible
spectroscopy at pH 7.4
Key Words: Polyesterurethane, Cyclic Carbonate, Controlled Release, 5-Fluorouracil.
103
OP-5
Phenol Removal in Fixed-Bed Column Using Green Adsorbent Neem Leaves
Ashanendu Mandal
Chemical Engineering Department
University of Calcutta, 92, APC Road, Kolkata-700009, India
E-mail: [email protected]
Abstract
The research aims to carry out the fixed-bed column study of phenol removal from wastewater by green adsorbent neem
leaves. The adsorbent was characterized by SEM, XRD, FTIR and BET analyzers. The optimum pH was determined by batch
experiments. The column experiments were performed at optimum pH 3 at different bed height (8.5-13.5 cm), flow rate (10-30
ml/min) and phenol concentration (100-300 mg/L). The experiments show that the breakthrough and exhaustion times
increase with the rise of bed height, but decrease with the rise of flow rate and phenol concentration. The adsorption
mechanism involves the interactions between the cellulose, hemicelluloses and lignin materials of the adsorbent and phenol
molecules through n- π, π-π and H-bonding. The kinetic study with the experimental results shows that the Yen et al. model
(r2 = 0.9911, KY = 0.63711 ml/mg.min, qY = 6165 mg/gm) was fitted best. The scale-up design was performed using the best
fitted kinetic model. Desorption of phenol from used adsorbent with ethanol solution (30% v/v) indicates 60.10% regeneration
efficiency. The safe disposal of used adsorbent is possible by incineration. The multiple linear regressions (MLR) and artificial
neural networks (ANN) show that the experimental results can be used with successful predictions.
104
OP-6
Assessment of Exhalation Flux of Radon Gas and Content of Radium in the Soil of Copper Mineralized Area of
Singhbhum, Jharkhand
Asheesh Mishra
Department of Physics, IIT Dhanbad
Email: [email protected]
ABSTRACT
Radionuclides of U decay series exist in trace amounts in all soils and rocks on earth in variable concentrations. Among these
222Rn in its gaseous form is exhaled by the soil of a geological location and is the main contributor to the environmental
radioactivity. A 222Rn exhalation flux study was done in the heavily mineralized region of the Singhbhum Copper Belt (SCB) of
Jharkhand. A substantial seasonal variation in the soil gas exhalation was witnessed which could be attributed to the
seasonal atmospheric factors. The mean 222Rn exhalation flux from the soil was estimated to be in the range of
0.005� ������ to 0.020� ������ with a mean of 0.010 ± 0.004� ������ and GM of 0.010� ������.
Also, 20 soil samples collected from the study area were analyzed by the emanometric method which estimated the 226Ra
content in the soil in the range of 8.60� ���� to 62.60� ���� and a mean value of 38.67 ± 16.54� ����.
105
OP-7
Effect of Bio-additives as viscosity reducers for Indian waxy crude oil
Biswadeep Pal, Tarun Kumar Naiya*
Department of Petroleum Engineering, Indian Institute of Technology (Indian School of Mines) Dhanbad
Email: [email protected]
In colder region Petroleum Industry experiencing wax deposition problems in reservoirs, wellbore to surface facilities and
transportation in pipelines. Petroleum Industry losses of billion dollars for mitigation the wax deposition and associated
problem in terms of cost of heating and chemicals required for prevention and control, use of scrapper for preventing chock in
pipeline and stop of production etc. A number of methods including addition of pour point depressants and wax crystal
modifier have been used to handle these problems. However, the chemical methods are most effective and economical
methods comparing with other methods but some conventional chemicals like triethanolamine are very expensive, carbon di
sulfide high toxic and flammable which are required special attention before use it as a PPD.
Bio-additives are synthesized from edible oil by simple trans-esterification reaction. After addition of Bio-additives with crude
oil it decreases pour point maximum 8℃ of WCO crude oil at 1200 ppm dosage level.
The rheological properties of crude oil with bio-additives with different concentration were studied in the temperature range of
25°C to 45°C. It was observed from the studies that viscosity of WCO was greatly reduced (>55%) due to addition of 1200
ppm additives at 40°C and flow becomes close to Newtonian. A complete analysis of wax crystals size distribution at
microscopic level was performed. Microscopic studies showed that with the addition of PPD the size of wax crystal size has
reduced significantly and observed modified crystal configuration in a fine dispersed form.
So, based on the results obtained from the pour point depression study and the rheology study that addition of Bio-additives
was clear reduce the pour point of WCO. Reduction of surface tension clearly shown surface film also effects the pour point of
the crude oil. Morphological study clarifies that PPD dispersed the wax crystals which increases its flow characteristic.
Acknowledgement:
Financial support from DST (SERB) [Project No: EEQ/2016/000650] is greatly acknowledged. We would like to express
thanks to ONGC, Ahmadabad Asset, Gujarat, India for their consistent cooperation for collection of crude oil samples from
different oil fields.
106
OP-8
Modulated Microencapsulation of Nanoparticles with functionalized Chitosan based Hydrogel and their targeted
application
Biswajit Jana, Shubhankar Ghorai and Jhuma Ganguly*
Department of Chemistry, Indian Institute of Engineering Science and Technology, Howrah, 711103, India
[email protected],*[email protected].
Microencapsulation increases the stability of tiny particles or droplets by various covalent or non covalent interactions in either
solid, liquid, solution or gel phase. Microencapsulation has been developed effective protection from environmental stimuli,
controlled degradation, increasedlongevity and preserved the inherent activity.Polysaccharides based encapsulation usually
has been oriented with three dimensional networks within micrometers to nanometers size, even at swollen by the solvents.
Chemical inertness and interlocked network retain vast amounts of solvents in Microgels without dissolving. The fabrication of
Chitosan based microgel templates have been investigated with change of cross-linkers and incorporation of nanoparticle in
the above context.The measurement of the effectiveness of encapsulation and structural investigation are performed by
modern instrumental aids. ZnO nanoparticle based chitosan hydrogel has prominent fluorescence efficiency due to the
presence of ZnO nanoparticles.Nanocomposite shows pH-sensitivity in swelling behavior and improved mechanical
properties. Microencapsulated compositehydrogel has great potentiality in removing toxic dyes from aqueous system without
the formation of wastage materials, extended its application as anti-viral agent for biomedical area and also useful in
catalysis.
Figure:SEM image of gel(left), Dye adsorption study with variation of pH (right).
Reference
1. Maity, S.; Ray, S, S.; Chatterjee, A.; Chakraborty, N.; Ganguly, J. ChemistrySelect.2018, 23, 6575.
2. Parshi, N.; Pan, D.; Dhavle, V.; Jana, B.; Maity, S; Ganguly, J. Int. J. Biol. Macromol.2019, 141, 626.3. Maity, S.; Naskar,
N.; Lahiri, S.; Ganguly, J. Environ. Sci.: Water Res. Technol.2019
107
OP-9
The Design of Molecule and Molecular Frame Towards Deliverable Properties
Chittaranjan Sinha
Department of Chemistry, Jadavpur University, Kolkata – 700 032
E-mail:[email protected]
The design of molecule is an art and habit of a chemist. It is a multidisciplinary diverse subject. The combination of
material properties and synthetic versatility bring materials of diverse properties such as, electronic, magnetic, optical,
structural, mechanical, biological, environmental etc.
Chemistry is the cause of all the functioning of life. About one-third of naturally occurring elements regulate live
process. The small molecules (oxygen, water, amino acids, glucose etc), ions (cations and anions), and macromolecules
(polysaccharides, proteins, fats etc) are imperative in life. Metals in medicines include Pt (Cisplatin), Au (arthritis) etc. CO, NO
are cardiovascular signaling molecules; Na+, K+ regulate nerve impulse; Ca2+, Mg2+ control muscle activity and the structural
element of bone, teeth, shell, clotting of blood; Mg2+ uses in photosynthesis; V5+ uses for plant growth; Cr3+ regulates glucose
metabolism; Mn2+ monitors PS-II and pyruvic acid cycle; Fe2+/3+ are part of Hb, Mb, Cyt-C, Ferritin, Ferredoxin etc.; Co2+ is
used in Vit-B12; Cu+/2+ functions in hemocyanin, ASc-A etc; Ni2+ acts in urease enzyme; Zn2+ is mother of 350
metalloenzymes; Mo is used in Nitrogenase, hydrogenase, nitrate reductase, Xanthine oxidase etc. However, non-
biodegradable nature of the ions makes them very susceptible to the living systems. The imbalance of ion equilibrium in the
cells may disturb electrolytic balance, damage specific organs, interferes the vital enzymatic processes etc. Hence, the
determination of trace/ultra-trace level of ions around the environment of human life is an essential task of modern research.
Biological/medicinal applications of the molecules have been carried out by trial-and-error process. Now high
throughput screening is an effective way to identify chemical entities that target a biological system of interest. Computer-
aided drug design (CADD) is a very useful tool in the structure-optimization for novel drug candidates. Out of million
compounds from libraries the theoretical manipulation identifies the lead molecule which may be synthesized in the laboratory
and their applications may be fruitful. Toxicity of the drugs may be computed to execute the significance of the biologically
active molecules
In this Seminar we will focus some of our research results on the deliberate design for the trace analysis of
biologically important ions (Zn2+, Al3+, Cr3+, Mg2+, Pd2+, F-, HF2-, PO4
3-, AsO33-, H2PO4
-, CN-, ATP) and also design of
molecules functionalizing known drugs and on metal ion binding to serve as more effective drugs.
108
Few publications (to consult)
Spectrochim. Acta Part A, 2020, 225, 117471 (CN-); J. Indian Chem. Soc. 2019, 96 (10), 1279-1285 (Zn2+); ACS omega
2019, 4 (5), 8451-8464 (Al3+, HF2-); Dalton Trans. 2019, 48 (48), 17818-17830 (Cu2+); Sensors and Actuators B: Chemical
2018, 252, 257-267 (Zn2+, Al3+); New J. Chem. 2018, 42 (8), 6236-6246 (PO43-, AsO3
3-); Dalton Trans. 2017, 46 (28), 9245-
9252 (Pd2+); ; Dalton Trans. 2017, 46 (47), 16516-16524 (Cr3+); Polyhedron 2018, 152, 1-10 (Pt-anticancer); J. Biol. Inorg.
Chem. 2018, 22 (6), 833-850 (Cu-sulfonamide); Spectrochim. Acta Part A: 2015, 150, 268-279 (Sulfonamides); Polyhedron
2015, 99, 77-86 (Ni-SMX)
109
OP-10
Structures and photochromic activity of some metal ion complexes of azoimidazoles
Dr.Debashis Mallick*
Department of Chemistry, Mrinalini Datta Mahavidyapith, Kolkata-700051.
E-mail: [email protected]
In this presentation, the coordination chemistry of Zn(II), Cd(II), Hg(II), and Pb(II) with 1-alkyl-2-(arylazo)imidazole (RaaiR/)
are described. The ligand acts as unsymmetrical N,N/-chelator and possesses azoimine [–N=N–C=N–] chromophore. 1,3-
Dalkyl-2-(arylazo)imidazolium iodides (RaaiR/2
+)I- are used to synthesise inorganic ionic solids and have been characterised
by structural study. Photochromic property of azoimidazoles and metal derivatives are also explored and their property has
been rationalised by DFT calculation.
110
OP-11
Bio-inspired Aerobic Oxidation of Organic Molecules using Immobilized Nonheme IronComplexes
Dr. Debobrata Sheet
Department of Chemistry, Presidency University, 86/1 College Street, Kolkata 700073,
E-mail: [email protected]
Abstract Selective oxygenation of hydrocarbons using dioxygen as oxidant using environmentally non-benign metal ions is a
formidable challenge.[1] A plethora of polypyridyl bound iron(II) complexes have evolved gradually as functional/structural
models of the well-known iron containing nonheme enzymes and are reported to oxy-functionalize several hydrocarbons. DFT
simulations and indirect probes reveals in-situ iron-oxygen intermediate as the active oxidant.[1]In most models oxidation
reactions results in deactivation of the active sites due to ligand oxidation and dimerization of iron-centers, thus limiting
homogeneous complexes to stoichiometric conversions.
Immobilization of these complexes onto a suitable solid support provides stability to the catalyst, facilitates easy separation
and prevents deactivation of active sites that caused dimerization reactions. With this concept the presentation elucidates
immobilization of a series of iron(II)-non heme complexes on solid support such as alkane thiolate gold nanoparticles and
PAMAM dendrimer carbon nanotubes (CNTs) conjugate.[2,3] The immobilized iron(II)-complexes augmented reaction rates
surpassing the homogenous complexes by many ordersand triggered catalytic oxidation products.[2] Interestingly, iron(II)
complex anchored to PAMAM-CNTs modelled both the primary and secondary active sites of enzymes and unlocked new
horizons towards development of artificial enzymes for bio-inspired oxidation reactions [3]
References
1) W. Nam, Acc. Chem. Res, 2015, 48, 2415; W. Nam, Y. M Lee, S. Fukuzumi, Acc. Chem. Res, 2014, 47, 1146.
2) (a) D. Sheet, P. Halder, T. K. Paine, Angew. Chem., Int. Ed. 2013, 52, 13314; D. Sheet, A. Bera, R. D. Jana, T. K.
Paine, Inorg. Chem. 2019, 58, 4828-4841
3) D. Sheet, A. Bera, Y. Fu, A. Desmecht, O. Riant, S. Hermans, Chem.- Eur. J.2019, 25, 9191-9196
111
OP-12
STUDIES ON OPTIMIZATION OF VOLTAMMETRIC CONDITIONS FOR ULTRA TRACE LEVEL DETERMINATION OF OF
URANIUM IN SEA WATERS
Dr. Rajni Bais
Assistant Professor, Department of Chemistry
J. N. V. University, Jodhpur- 342005, India
Email: [email protected]
ABSTRACT
A study on electroreduction of uranium (VI) with thioglycolic acid in acetate buffer has enabled the optimization of
voltammetric conditions for its determination at ultra trace levels. A limit of quantification of 0.005 µg/ml was achieved using
differential pulse polarography (DPP). Major ions such as lead, nickel, vanadium and zinc did not interfere. The method was
successfully applied for the determination of uranium in seawaters. The results have further been validated by AAS method.
Keywords: Uranium, DPP, sea waters.
112
OP-13
Multifunctional MOFs for gas adsorption, Sensor and Catalysis
Sharad Kumar Sachan, Sarita Tripathi, Namita Singh, Renganathan Srirambalaji and Ganapathi Anantharaman*
Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur -208016
Porous materials such as zeolites have made an indispensable impact in the day to day life to commercial applications. The
structural rigidity created by primary [SiO4]4- and [AlO4]3- units and associated with the framework stability are one of the prime
criteria for its vast applications. However, many times the applications based on these materials remain dormant due to the
difficulties related to the structure and functional correlations as well as nuances of the synthetic procedure. Alternatively,
materials made of coordination polymers (CPs) or metal-organic frameworks (MOFs) have gained enormous attention due to
its simplicity in preparation, structural diversity and the applications in gas-adsorption, separation of small molecules,
catalysis, sensing of small molecules to hazardous materials, drug delivery, nonlinear optics, proton conductivity, and other
biomedical related processes. These prominences of MOFs/CPs in the last three decades have stimulated colossal amount
of research interests in the study of frameworks having multifunctional properties. The diversity in applications are mainly
attributed to the robustness of the MOFs against hydro- and thermal stability at various pH medium besides maintaining the
crystallinity and their porosity. In addition the presence of Lewis acidic/basic sites these MOFs were potentially used as
catalysts for various organic transformations.1-3In this talk, the preparations of some mixed metal oxides and CPs/MOFs
derived imidazole based carboxylic acid systems, and metal substrates will be presented. In addition, the properties of these
systems in the areas of gas adsorption, luminescence-based sensing/remediation of hazardous materials and catalysis will be
presented.4
References:
1. (a) Kreno, L. E.; Leong, K.; Farha, O. K.; Allendorf, M.; Van Duyne, R. P.; Hupp, J. T. Chem. Rev., 2012, 112, 1105–1125;
(b) Kitagawa, S.; Kitaura, R.; Noro, S. Angew. Chem., Int. Ed. 2004, 43, 2334-2375.
2. (a) Huang, Y.-B.; Liang, J.; Wang, X.-S.; Cao, R. Chem. Rev., 2017, 46, 126–157; (b) Yaghi, O. M. et al. Chem.Rev., 2012,
112, 673-674. (c) Reinares-Fusac, D.; Aguirre-Díaz, L. M.; Iglesias, M.; Snejko, N.; Gutiérrez-Puebla,E.; Monge, M. Á.;
Gándara, F. J. Am. Chem. Soc. 2016, 138, 9089-9092.
3. (a) Penke. Y. K., Anantharaman, G. Ramkumar, J.; Kar, K. K. J. Hazard. Mater.2019, 354, 519-530. (b) Penke. Y. K.,
Anantharaman, G. Ramkumar, J.; Kar, K. K. ACS appl. Mater. Interfaces.2017, 9, 39441. (c) Penke, Y.K.; Anantharaman, G.;
Ramkumar, J.; Kar, K. K. RSC Adv., 2015, 6, 55608.
4. (a) Tripathi, S.; Anantharaman, G. CrystEngComm, 2015, 17, 2754-2768. (b) Mohapatra, C.; Tripathi, S.; Chandrasekhar,
V.; Anantharaman, G. Cryst. Growth.Des.2014, 14, 3182-3185.
113
OP-14
Solvent-free, mechanochemically scalable synthesis of 2,3-dihydroquinazolin-4(1H)-one using Brønsted acid
catalyst
Gauravi Yashwantrao, Valmik P. Jejurkar, Rajpratap Kshatriya and Satyajit Saha*
Dept. of Dyestuff Technology, Institute of Chemical Technology, Mumbai, Maharashtra-400019
Corresponding author (Satyajit Saha) email: [email protected]
Abstract: Although the synthesis of novel N-heterocyclic molecules is extremely demanding as well as challenging, the
involvement of toxic solvents often triggers environmental safety concerns, resulting in process-engineering challenges.
Herein, we have demonstrated a rapid, environmentally benign and energy efficient scalable method for the synthesis of 2,3-
dihydroquinazolin-4(1H)-one by grinding in a mortar pestle as well as mechanochemically via ball milling using p-TSA
catalyst. The ability to accomplish the reaction in the absence of solvent via grinding or milling with p-TSA catalyst, with an
immediate reduction in the cost and operational procedures, features the significant advantages of this protocol. The
scalability and significance of the operational parameters during mechanochemical milling in the tubular ball mill were also
demonstrated. Excellent yield in short duration, large substrate scope, product scalability, and easy recoverability are the
prime features of this mechanochemical solvent-free protocol for the synthesis of 2,3-dihydroquinazolin-4(1H)-one. The study
also demonstrated the significant role of ball diameter to improve the efficiency of the milling operation in this
mechanochemical synthesis.
Keywords: Ball milling, Mechanochemical synthesis, heterocycles, solvent free reaction
Reference:
G. Yashwantrao, V. P. Jejurkar, R. Kshatriya and S. Saha* ACS Sus. Chem. Eng. 2019, 7, 13551−13558.
114
OP-15
A Study on the Status of Antioxidant Vitamins (Vitamin-A and Vitamin-E) in Urolithiasis Patients
T.V.R.K.Rao*and Gunja Kumari
Department of Chemistry, Purnea College, Bihar
Abstract
Aetiology of urinary stone disease is a function of multiple factors. Besides physicochemical aspects of crystal aggregation
and stone formation, studies on the role of oxidative stress in urolithiasis are also getting attention in recent years. The
objective of the present study is to trace the status of antioxidant vitamins viz., vitamin-A and vitamin-E, in urinary stone
disease. Twenty five urolithiasis patients, 20 male and 5 females in the age group of 20 to 55 years, were selected for study.
Twenty normal healthy persons, 14 male and 6 females in the age group of 20 to 55 years were also selected for study as
controls. Serum retinol, and serum α-tocopherol levels of subjects and controls were estimated. Results revealed that the
levels of vitamin-A and vitamin-E in the stone patients were significantly lower (p < 0.03 for vitamin-A & p < 0.006 for
vitamin-E) than that of the normal healthy persons. As such, urinary stone disease seems to be associated with a low
antioxidant vitamins’ status. This might be due to their (vitamins’) increased utilisation to fight the oxidative stress created by
the injury of renal tubular cells, which might have been induced by the crystals of stone.
115
OP-16
Surface mounted metal organic frameworks on layered double hydroxide sheets
Anindita Chakraborty and Himadri Acharya*
Centre for Soft Matters, Department of Chemistry, Assam University, Silchar-788011, Assam, India
E-mail: [email protected]
Porous metal organic frameworks (MOFs), a typical organic-inorganic material composed of metal ions and multi-
topic organic ligands has been studied as one of the promising material owing to their fascinating structures and potential
applications. Presently, research on growth or deposition of MOFs films on functionalized substrates is of great interest for
various adsorption, separation, storage and sensor applications. Herein, surface mounted metal organic frameworks named
SURMOF of MOF-5 and Cu-BDC MOF on Zn-Al, Mg-Al and Co-Al layered double hydroxides (LDH) sheets is demonstrated.
SURMOF on layered double hydroxides sheets were prepared strategically where, intercalated terephthalate ligands within
LDH gallery coordinated with the metal ions for in-situ growth of MOFs. The structures and morphology of the SURMOF were
investigatedusing scanning electron microscope (SEM), transmission electron microscopy (TEM) combined with selected
area electron diffraction (SAED) images, X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy and thermo
gravimetric analyses (TGA).The resulting SURMOF materials offer an excellent dye removalproperty.
1. Z.-G. Gu, J. Zhang, Coord. Chem. Rev., 2019, 378, 513.
2. R. Soltani, A.Marjania, S. Shirazian, Dalton Trans., 2020, 49, 5323.
3. A Chakraborty, H Acharya, Colloid and Interface Science Commun.,2018, 24, 35.
4. A Chakraborty, DA Islam, H Acharya, Materials Research Bulletin, 2019, 120, 110592.
116
OP-17
Inhibition of non-enzymatic glycation by gymnemic acid as possibleantiviral agent of SARS-CoV-2
Koushik Chandra*
Assistant Professor, Department of Chemistry, Midnapore College (Autonomous), Midnapore, Paschim
Midnapore, West Bengal, India-721102, Email: [email protected]
Abstract
Diabetic mellitus (DM) entails medical attention with growing incidence worldwide.Poor glycemic control in diabetes is a
concomitant threat to diabetic complications with the advent of a cohort of toxic, heterogenous and crosslink advanced
glycation end products (AGEs). Evidences show that diabetic patients with AGEs are susceptible to viral infection that impairs
immune response. The situation turns even more frightening for AGE induced diabetes in wake of recent pandemic of SARS-
COV-2 across the globe. The discovery of prophylactics, drugs or even vaccine are currently under intense investigation.
Recent studies also imparts on the discovery of indigenous naturally occurring phytochemicals as a promising target for drug
design. Our study bestows on gymnemic acid, a well-known antidiabetic phytochemicals, for probable drug target of SARS-
CoV-2 main protease that is responsible for primary infection. Spectroscopic analyses demonstrate gymnemic acid as useful
pharmacophore that has shown effective inhibition against the formation of AGEs invitro. Molecular electrostatic potential
(MEPS) indicates a certain portion of surface reactivity of gymnemic acid which is found to be effective against SARS-CoV-2
main protease from molecular docking studies. The experimental observations aptly correlate withcomputational results
signifying the ability of gymnemic acid to function as likelihood antiviral agent in view of recent global pandemic caused by
SARS-COV-2.
Key words: advanced glycation, diabetes, gymnemic acid, inhibitor, SARS-CoV-2
References
1. Polonsky, K. S. N Engl J Med., 2012, 367, 1332–1340.
2. Brownlee, M. Nature, 2001, 414, 813-820.
3. Thornalley, P.J., Battah, S., Ahmed, N et al. Biochem. J. 2003. 375, 581–592.
4. Lu, H. Biosci. Trends.,2020, 14 (1), 69–71.
5. Erener, S. Mol. Metab., 2020, (doi: 10.1016/j.molmet.2020.101044).
6. Shanmugasundaram, K. R., Panneerselvam, C., Samudram, P., Shanmugasundaram, E. R. J.
Ethnopharmacol.,1983, 7, 205-234.
117
OP-18
Metal-free Aryl-Aryl Cross Coupling: C–H Arylation of 2-Naphthols with Diaryliodonium Salts
Manoj Kumar Ghosha*
aCentre of New Technologies, University of Warsaw, Banacha 2C, 02-097 Warsaw, Poland
*Department of Chemistry, Banaras Hindu University ,Varanasi, Uttar Pradesh, 221005
Metal-free regioselecitve C–H arylation of 2-naphthols with diaryliodonium salts has been developed. The reaction proceeds
under very simple experimental conditions and affords a range of products with various substitution patterns. The method
allows for the incorporation of electron-deficient aryls, which complements well currently existing metal-free aryl-aryl cross-
couplings of phenols that have been so far restricted to the introduction of electron-rich aryl moieties. The mechanism of the
reaction was studied by means of DFT calculations, demonstrating that the C–C bond-formation occurs via a dearomatization
of 2-naphthol substrate, followed by a subsequent rearomatization by tautomerization.
Reference-
Manoj K. Ghosh, J. Rzymkowski, and M. Kalek,Chem. Eur. J.,2019, 25, 9619-9623.
* Present Affiliation (National Postdoctoral Fellow)
118
OP-19
SPECTRAL AND BIOLOGICAL STUDIES ON CO(II), Ni(II) ANDCu(II) COMPLEXES WITH A CHELATING BIDENTATE
DIAZA SCHIFF BASE LIGAND DERIVED FROM PYRIDIN-2 AL AND PARA TOLUIDINE
NARESH KUMAR*, SHIKHA KUMARI & PAWAN KUMAR
*UNIVERSITY DEPT. OF CHEMISTRY, B. N. MANDAL UNIVERSITY, MADHEPURA, Email:[email protected]
ABSTRACT
A Series of square planner complexes of CO(II), Ni(II) & Cu(II) of the type [M(PTSB)] X2 have been obtained X=Cl-, Br- and
NO3 - in the present case. PTSB is a Schiff base ligand derived from pyridine-2-carbaldehyde & para toluidine in equimolar
proportion. The ligand has been synthesized by two different routes, traditional method and green method the later giving
higher yield in lower reaction time. Metal complexes have also been synthesized by traditional method and modern metal ion
catalyzes template method. Characterization of the ligand as well as metal complexes has been done on the basis of
elemental analysis conductivity &magnetic susceptibility measurements. Bonding mode has been decided by I.R. spectra.
Square planner stereo chemistry has been proposed on the basis of electronic spectra and magnetic moment data showing
low magnetic moment for the complexes. The ligand has been found to at in a bidentate chelating mode using both the
azomethinic nitrogen and pyridyl nitrogen for coordination. Biological screenings of the ligand and complexes have been
probed agains bacteria & fungii. Complexes have been found to superior biochemical activity than the ligand. The structure
proposed for the complexes are square planner as shown below
119
OP-20
Green Synthesis of Iron Nanoparticles and Their Application as Catalyst in Degradation of Organic dye
Nimish Kumar*, Vijay Devra
J.D.B.Govt.Girls College, Kota (Raj.)
[email protected], [email protected]
Recent advances in Nano science and nanotechnology is presently one of the most dynamic discipline of research in material
science whereby plants and plant products are finding imperative application in the synthesis of nanoparticles. The aim is to
minimize the negative impacts of synthetic procedures, their accompanying chemicals and derivative compounds This study
provides reports of green synthesized zero valent iron nanoparticles (FeNPs) and highlights their substantial applications in
environmental pollution control.. The unique properties of nanoparticles may increase catalytic activity and lead to significant
enhancement of process performance by reducing reaction time.
The present study reports stable dispersed zero valent iron nanoparticles (FeNPs) were prepared by the biosynthesis process
using extract of A. Indica as reducing and stabilizing agent. The study reports the maximum absorption peak of UV Visible
spectra observed at 250 nm wavelength and FTIR peak at 3000cm-1 confirms the formation of zero-valent iron nanoparticles.
The synthesized nanoparticles were applied as a catalyst in the degradation of azo dye in presence of peroxomonosulphate
(PMS). The degradation rate was found to follow first-order kinetics with respect to PMS. The biosynthesized FeNPs is
expected to be a suitable substitute and play a significant role in the field of catalysts and environmental revolution.
Key words: Green nanotechnology, Iron nanoparticles, Catalyst, Environmental pollution
120
OP-21
PREPARATION AND CHARACTERIZATION OF ACTIVATED CARBON FROM SHREDDED LEAVES THROUGH
CARBONIZATION ACTIVATION PROCESS
Niraj S. Topare1*, Shantini A. Bokil2
1*School of Chemical Engineering, Dr. Vishwanath Karad MIT World Peace University, Pune-411 038, India
2School of Civil Engineering, Dr. Vishwanath Karad MIT World Peace University, Pune-411 038, India
*Corresponding Author Email:[email protected],[email protected]
ABSTRACT
In this study, an attempt was made to establish Green Energy from agricultural waste (shredded leaves). Activated carbon
(AC) produced from shredded leaves (SLAC) with chemical activation agent i.e. phosphoric acid (H3PO4) by the carbonization
activation process. The influences of the process, carbonization temperature, and activation temperature (600 °C) for time 2
hours with H3PO4 of 1:1 ratio on the resulting activated carbon properties were evaluated. The AC is an excellent adsorbent
and its applications are widely described in the literature. Prepared SLAC is characterized by standard methods XRD, SEM,
FTIR, and XRF. XRD analysis is used to study the presence of a highly organized crystalline structure for AC. The surface
chemical characteristics of activated carbons were determined by the FT-IR method. The microstructure of the produced
activated carbons was examined by scanning electron microscopy (SEM). XRF is used to study the different concentrations
of inorganic elements present in the produced AC. The result also shows the presence of seven elements with their
concentration. Thus present study adds one more bio-waste source as useful raw material for the preparation of AC.
Key Words: Activated carbon, Shredded leaves, Phosphoric acid, XRD, FTIR, SEM, XRF
121
OP-22
On binding of plant-derived indole alkaloid with HT and CT DNA via spectroscopic tools
Nungshioba Jamir, Jhimli Bhattacharyya*
Department of Chemistry, National Institute of Technology Nagaland, Chumukedima, Dimapur, Nagaland – 797 103, Email:
[email protected], [email protected]
ABSTRACT
DNA-ligand interaction studies lead to understanding of fundamental basis of binding pattern correlating with structural
aspects. Among various ligands, indole alkaloid based drugs, extracted from the medicinal plants are of special interest as
they have vast pharmaceutical applications towards hypertension, diabetes, cancer, gastritis, cough-cold, asthma, flu,
malaria, jaundice etc diseases. Generally traditional medicines from plant origin are quite popular but scientific background of
their effectiveness and their mechanism of action are still under investigation. Biophysical studies of Camptothecin with
natural polymeric DNAs (CT & HT) and investigate the binding isotherm is reported here followed by complete energetic
profile. Camptothecin is an important indole alkaloid isolated from the native Chinese stem wood, Camptotheca acuminate. It
selectively inhibits the nuclear enzyme DNA topoisomerase, type-I and demonstrates antitumor activity. Various
spectroscopic techniques like, UV-Vis, fluorescence, infra-red (IR), confirmed successful binding between the drug and
DNAs. Thermal melting studies showed destabilization of both the DNAs upon ligation. CT DNA showed more binding affinity
as compared to that of HT. Binding constants were calculated by Scatchard plot analyses at different pH, temperature and
salt concentration conditions. This work may have multifaceted application for understanding the indole alkaloid based drug
action and development of rational therapeutic agents from natural resources.
Keywords: Camptothecin, natural polymeric DNAs, Biophysical interaction study, Binding affinity.
Acknowledgement: This work is financially assisted by NER-Twinning Project Scheme, DBT, Govt. of India. Authors
acknowledge Dr. Souvik Maiti, Senior Principle Scientist, CSIR-Institute of Genomics and Integrative Biology, New Delhi
(collaborator of the twinning research scheme mentioned above).
122
OP-23
Supramolecular Synthon based Electrocatalytic H2 production
Partha Pratim Bag*
Department of Chemistry, SRM University Sikkim, Sikkim- 737102, India.
E-mail: [email protected]
Global initiatives for developing new renewable energy systems, H2 might be future fuel. Electrochemical water splitting is a
promising route to the production of a hydrogen (H2) fuel. Platinum (Pt) is the most effective catalyst to facilitate the hydrogen
evolution reaction (HER) in electrochemical water splitting, but the scarcity and high cost of Pt limit widespread applications of
Pt-based electrocatalysts.1 Ruthenium oxide (RuO2) is one of the best catalysts for the oxygen evolution reaction (OER)2 but
HER performance is very good.3 Here we demonstrate that hydrous RuO2 nanoparticles can be dispersed on M-CA co-
crystal, used as highly efficient electrocatalysts for the HER. In this work, RuO2@M-CA nanoparticles were synthesized
simply by heating an aqueous solution of RuCl3·xH2O. These hydrous RuO2@M-CA nanoparticles exhibited substantially
enhanced HER.
References
1. R. Subbaraman, D. Tripkovic, K.-C. Chang, D. Strmcnik, A.P. Paulikas, P. Hirunsit, M. Chan, J. Greeley, V. Stamenkovic,
N. M. Markovic, Nat. Mater., 2012, 11, 550. (b) E. J. Popczun, J. R. McKone, C. G. Read, A.J. Biacchi, A.M. Wiltrout, N. S.
Lewis, R. E. Schaak, J. Am. Chem. Soc., 2013, 135, 9267. (c) H. Yin, S. Zhao, K. Zhao, A. Muqsit, H. Tang, L. Chang, H.
Zhao, Y. Gao, Z. Tang, Nat. Commun., 2015, 6, 6430.
2. E. A. Paoli, F. Masini, R. Frydendal, D. Deiana, C. Schlaup, M. Malizia, T. W. Hansen, S. Horch, I. E. L. Stephens, I.
Chorkendorff, Chem. Sci., 2015, 6, 190.
3. T. Audichon, T. W. Napporn, C. Canaff, C. Morais, C. Comminges, K. B. Kokoh, J. Phys. Chem. C, 2016, 120, 2562.
123
OP-24
A Short Review on 5H-chromeno[4,3-b]pyridin-5-one & 6H-chromeno[4,3-b]quinolin-6-one Derivatives as Anti-Cancer
Agents
Prasanta Patra*
Assistant Professor (W.B.E.S.)
Department of Chemistry, Jhargram Raj College, Jhargram 721507 ,WB, India
*Corresponding author’s e. mail:[email protected]
Many naturally-occurring coumarin compounds shows significant biological activities.1 6H-chromeno[4,3-b]quinolin-6-one are
very important due to their versatile antitumor as well as anti-cancer activity. These properties have motivated a number of
synthetic efforts by several groups.2 The present review aims to review a vast body of literature on different synthetic
methodology, bioactivity mainly anti-cancer activity and fluorescence property of 6H-chromeno[4,3-b]quinolin-6-one
derivatives as published during the period from 1987 up to 2020. The synthesised compounds have been reported in
literature by construction of pyridine using different name reaction.
O
O
CHO
X
O
O
N
O
O
OH
NCAr
MeOH, rt
O
O
NH
Ar
NO2Ar
CHO
Fe, AcOH,
50 oC
NH2Ar
OH
AcOH, 120 oC
NHNH2HCl
Ar
DMSO, 130 oC
NH2
Ar
NH2Ar
MeOH, Ultrasoundirradiation
.
R
O
O
OHR
CHO + +
X=Cl, Br
O
NH4OAc
Reference
1. Borges, F.; Roleira, F.; Milhazes, N.; Santana, L.; Uriarte, E. Curr. Med. Chem.2005,12, 887.
2. Patra,P. ChemistrySelect2019, 4, 2024.
124
OP-25
Nanostructure Photocatalyst Material for Degradation of Environmental Pollutants
Dr. Supriya Kumari
Assistant Professor, Department of Chemistry, Jawahar Lal Nehru College, Dehri-On-Sone (Rohtas)
V.K.S.University, Ara
Email-Id : [email protected]
Abstract:
Rapid population growth andincreased demand for resourceshave led to a large increase of demand for energy and pure
water supply around the world. Water pollution causes ecological and environmental problems. A new source of sustainable
energy is required for our future due to the limited availability of sources, deterioration of environment, non-replenishable
nature and climate change. Solar energy is mostly used in the research to fulfill the ever- increasing demand of energy
because this open lots of scope in wastewater treatment, hydrogen production, and driving artificial photosynthesis. Different
type of semiconductor Photocatalyst is the major category of materials which are chosen due to its electronic structure
intrinsic nature and suitable band gap. Photocatalysis based on nano-catalysts is a very cost effective and prominent method
for the wastewater treatment where an electron-hole pair is generated on exposing semiconducting materials to light of
appropriate energy. A promising and novel approach for the degradation of organic pollutants in the presence of visible light
have been used in the present study.
KeyWords: Sustainable energy, Photocatalysis, Wastewater treatment
125
OP-26
Photolytic Degradation of Organic pollutants in Natural Water: Effect of Titanium Dioxide
Priyanka Gupta1, Manoj Kumar Ghosh2, Supriya Biswas3
Department of Applied Chemistry, Shri Shankaracharya Technical Campus, Junwani, Bhilai, C.G.
Associate Professor, Kalinga University, Naya Raipur, C.G., Professor, Shri Shankaracharya, Technical Campus, Junwani,
Bhilai, C.G. , Email: [email protected]
Abstract
Insecticides and natural waste represent a collection of environmental pollutants which may be widely allotted in our
surroundings due to various human activities. Removal by adsorption and photolytic degradation of these pollutants from
water are cost effective methods. But oxidation technologies are gaining interest as an effective approach for wastewater
treatment capable of degrading a diverse spectrum of organic contaminants. Photocatalysis is a promising advanced
oxidation generation to relieve water pollutants troubles. Titanium dioxide (TiO2) is the most popular photocatalyst due to its
low price, nontoxicity, excessive oxidizing skills, and clean immobilization on various surfaces. The present-day assessment
targets to focus on recent advancements in photocatalytic degradation of insecticides and main organic pollution the usage of
TiO2-based photocatalysts.Indeed, most of the strategies, which hired robust catalysts, confirmed and exhibited successful
degradation of the pesticides beneath various situations. We agree with this topic of research is extremely crucial and could
keep growing in current years, achieving final suitable outcomes and locate extra applications in special fields of take a look
at.
Keywords: Photocatalysis; Pesticides; Solar energy; Mineralization; Water treatment; Titanium dioxide
126
OP-27
A novel dinuclear Copper (II) complex with 18-member macrocyclic Schiff base ligand showing anti-ferromagnetic
interaction
PRIYANKA
Department of Chemistry, L.S College, (BRA Bihar University), Muzaffarpur-842001
Email: - [email protected],
ABSTRACT
A novel dinuclear copper (II) complex showing anti ferromagnetic interaction between two copper centers has been obtained
by condensation between 2, 6-dfp & benzidine in presence of cupric acetate in ethanolic medium. The outcome is significant
in the light of failure of [2 + 2] condensation between diacetylpyridine (dap) or diformylpyridine (dfp) with o-phda
(orthophenylenediamine) to form 18- member macrocyclic compounds on 3d-element matrices. The above condensation is
successful if carried out in presence of big cations such as Ba (II) producing mononuclear 18-member macrocycle. 18 -
Member macrocyclic cavity seems to be big for small cations such as Cu (II). On the other hand it appears to b too small to
accommodate dinuclear copper. The present macrocyclic compound has 22-macrocyclic cavity having six nitrogen donors,
two pyridyl nitrogen and four azomethinic nitrogens arising out of Schiff base condensation. All the nitrogen donors participate
in coordination. The octa- coordinated dimer is proposed to have prismatic structures on the basis of elemental analysis,
conductivity data, magnetic moment and spectral studies such as infrared, electronic and pmr. Pi- electron delocalisation and
encapsulation effect seem to play significant roles towards stability of the complex.
Keywords: Schiff-base macrocycle, anti ferromagnetic interaction, spectral study.
127
OP-28
Controlling Stereoselectivity in Tribromide Mediated Oxidative Dearomatisations – Synthesis of Selective
Spirofurano-naphthalones
Puspendu Kuila,[a] Devashish Sood,[b] Debayan Sarkar*[c]
Author Address:
Organic Synthesis and Molecular Engineering Laboratory, Department of Chemistry, National Institute of Technology,
Rourkela, Odisha, India-769008.
[c]Email: [email protected]
[a]Email: [email protected] ,
Abstract:A series of ammonium tribromides were screened for exploring the role of ammonium counterpart attached to
tribromides on generation of stereoselective spiro-furans via oxidative dearomatisation of naphthols. The proposition
enlightens a suitable combination of the ammonium tribromide and solvent employed, deliver the best achieved
diastereoselectivities. This in turn, has also envisioned the mechanistic aspects related to these category of reactions.
Furthermore, an efficient enantioselective synthesis of substituted spiro-furans has been realized using asymmetric tribromide
reagent (AT-1) which was first introduced by our group. The mentioned dearomative spiro-furano naphthalones has also been
successfully achieved on a large-scale.
Scheme:Synthesis of spiro-furano naphthalone
Reference:
1. Sarkar, D*; Kuila, P.; Sood, D Eur. J. Org. Chem.2019, 5894-5904.
Acknowledgements:
We sincerely acknowledge the Department of Science and Technology (DST), Government of India (Grant No.
EEQ/2016/000518), INSPIRE-DST, Government of India (Grant 04/2013/000751) and NIT Rourkela.
128
OP-29
Effect of Surface Charge of Silver Nanoparticles on Aggregation and Catalysis
Rupasree Choudhuryand Tarun Kumar Misra*
Department of Chemistry, National Institute of Technology Agartala, Agartala, Tripura799046, India
E-mail: [email protected]/[email protected]
Metal nanoparticles (MNPs) while applying in biological systems come in contact and interact with bio-macromolecules in
biological fluids. Interactions mainly depend on surface adsorbed capping agents. The fact is also true for catalytic
applications of MNPs. Gluconate anions (Gluc-) and N-(1-naphthly)ethylenediammonium cations (NEDA2+) capped Ag-NPs
(Gluc-Ag-NPs and NEDA-Ag-NPs) were employed to study interactions with macrocyclic polyammonium cations (MCPACs),
reputed anion recognizers and as to mimic biopolyamines. The studies were done on UV-vis spectroscopy and Transmission
Electron Microscope (TEM). Surface adsorbed Gluc- ions being anionic in nature interact with MCPACs kinetically whereas
positively charged NEDA2+ ions do not show any such interactions. The associated complexes, Gluc-…MCPACs for
Me6[14]ane-(NH2+)4 (Tet-A/Tet-B) and [32]ane-(NH2
+)8 (32-MCPAC) are existed with the particles upto certain concentration of
MCPACs, termed as critical coagulation concentration (CCC). The CCC value of 32-MCPAC (0.021µM) is quite less than Tet-
A (21.06µM) and Tet-B (20.90µM); whereas Kasso of Gluc---32-MCPAC (1.38x107 M-1)is much greater than Gluc---Tet-A/Tet-B
(~4.5x104 M-1) complex. Again surface charge plays an important roleto explore their employability as potential catalyst.
Reduction of 4-NP (anionic in presence of BH4-) to 4-AP using anionic Gluc-Ag-NPs as a potential catalyst occurs more
effectively and rapidly whereas cationic NEDA-Ag-NPs could not be used catalyst.
Ref.[1] R. Choudhury, T.K. Misra, (2018), Colloids Surfaces A,V. 545 pp. 179-187.
[2] R. Choudhury, A. Purkayastha, D. Debnath, T.K. Misra, (2017), J. Molecular Liq.V. 238 pp. 96-105.
Acknowledgement: Authors are grateful to DST, Nano-mission, Govt. of India, for financial support (grant no. SR/NM/NS-
1176/2012(G)&(C)) and NIT Agartala.
129
OP-30
Organic acids as an accelerator for electroless plating of copper methane sulphonate bath
S. Rekhaa*, KN Srinivasanb, S. Jothilakshmic
a - RMD Engineering College, Kavaraipettai, Chennai
b- Central Electrochemical Institute(CECRI), Karaikudi
c - RMK college of engineering and technology, Chennai
Abstract:The rate of deposition of a electroless plating process is slow process due to the addition of stabilizers to improve
the stability of bath and prevent it from decomposition. Hence to improve the rate of plating process accelerators are added
without compromising the stability of bath. Electroless plating of copper on metal surface was investigated with organic acids
with mono basic acid like acetic acid and glycolic acid, dibasic acid like oxalic acid and succinic acid and tribasic acid like
citric acid as accelerators in presence of a stabilizer thiourea. The investigation is carried out utilising gravimetric studies,
cyclic voltammetric studies and surface analysis by X-ray diffraction method (XRD), scanning electron microscope (SEM).
The investigation shows that organic acids can be used as an additive to improve the rate of plating in the presence of
stabilizers without compromising the stability in the presence of stabilizers without affecting the stability of bath and quality of
deposits.
Table 4.16 Crystallite size of copper deposit with 1ppm of accelerators with formaldehyde as reducing agent
S. No Accelerators I (Intensity) Crystallite size
(nm)
1 Plain bath 3288 133.9
2 Acetic acid 1993 83.7
3 Oxalic acid 1333 149.0
4 Citric acid 3449 133.9
5 Succinic acid 1397 111.5
6 Glycolic acid 1053 95.6
130
OP-31
Adsorptive Removal of Methylene Blue from Aqueous Solution by Chitosan-nSiO2 Nanocomposite-Isotherm, Kinetic
and Thermodynamic Study
Samanwita Bhattacharyaa, Baisali Rajbansi and Sudip Kumar Dasb
Chemical Engineering Department, University of Calcutta,
92, APC Road, Kolkata-700009, India.
e-mail: [email protected], [email protected]
Nowadays water pollution becomes a very significant environmental issue. Heavy metals and organic dyes present in water in
higher concentration beyond the permissible limit are dangerous to aquatic life as well as to mankind. Adsorption is a popular
process for the elimination of heavy metals and dyes from waste water by solid adsorbents. In third world countries,
adsorption is ideal as it is economically most favorable. The adsorption capacities of synthetic adsorbents are greater than
that of the agricultural and industrial wastes.
Researchers have comprehensively studied the structure, properties and applications of biopolymers like chitosan. Chitosan
in its native form and chemically modified chitosan have been used to remove heavy metals as well as organic dyes from
waste water. Chitosan nanocomposites have very promising role in the field of adsorption of heavy metals and dyes due to
increased chemical stability and adsorption capacity of the adsorbents. Silica based materials can be applied for the
adsorption of various pollutants.
The present study deals with the preparation and characterization of chitosan-nSiO2 nanocomposites. Different adsorbent
samples were prepared with different weight ratio of chitosan to nSiO2. The adsorption capacity of the prepared adsorbents
towards methylene blue dye in aqueous solution was also investigated. The adsorption experiment was conducted in batch
mode under varying experimental condition such as different pH values, initial metal ion concentration, adsorbent dosage,
temperature and contact time. Various isotherm and kinetic models are tested with the experimental data and thermodynamic
conditions required for adsorption are also calculated.
Keywords: Adsorption; Chitosan; nSiO2; Nanocomposites; Methylene Blue.
131
OP-32
Exploring the efficacy of naturally occurring biflavones towards the inhibition of the SARS-CoV-2 spike glycoprotein
mediated membrane fusion
Samiran Mondal
Department of Chemistry, Rammohan College, 102/1-Raja Rammohan Sarani, Kolkata-700009, West Bengal, India.
E-mail address: [email protected]
ABSTRACT
By the end of 2019, scientists came to know about a novel Severe Acute Respiratory Syndrome-Corona virus-2, [SARS-CoV-
2] and associated disease, COVID-19 (Corona Virus Disease-19), which initially affected people of Wuhan city of China. As
on 22nd July 2020,there have been 14765256 confirmed cases of COVID-19 and 612054 deaths worldwide. This virus
became the root cause of deaths and untold sufferings of millions of people around the globe due to the unavailability of
specific medicine/vaccine or therapeutic strategy. Molecular docking studies revealed that the inhibitory effect of two naturally
occurring biflavone based anti-HIV agents, Biflavone-1 and Biflavone-2 against the SARS-CoV-2 spike (S) protein-mediated
attack of the human ACE2 receptors via membrane fusion mechanism. The binding affinities of these naturally occurring
biflavones for the RBD-S2 subunit protein of SARS-CoV-2 were explored for the first time. The biflavones, are able to interact
more strongly with the residues of Heptad repeat 1 (HR1) and 2 (HR2) regions of S2 protein of SARS-CoV-2 and can
effectively block the formation of a six-helix bundle core fusion structure (6-HB) leading to the inhibition of virus-target cell-
membrane fusion. With the help of molecular simulations and in vivo/clinical studies, these bioflavones may be further
explored to develop potential fusion inhibitor-based therapeutics and prophylactics to combat COVID-19.
132
OP-33
Photovoltaic materials: Present status and future challenges
Sanjay Tiwari and B.Gopal Krishna
Photonics Research Laboratory, S.O.S. in Electronics & Photonics,
Pt.Ravishankar Shukla University, Raipur (C.G.)
Abstract
Photovoltaics, which directly convert solar energy into electricity, offer a practical and sustainable solution to the challenge of
bridging the global demand and supply gap in energy. While solar energy production
has the potential to end the power woes of a country, the added advantage is that it also creates a plethora of new job
opportunities for its citizens. The global photovoltaic market is expected to exceed $140 billion by 2020 In terms of
application in power plants, military applications, and other utility applications such as space & defence, industrial projects,
residential rooftops, commercial buildings and so on. Recently significant progress in photovoltaic materials has been made
which has resulted in improvement of performance and development of high efficiency solar cells. The efficiency is an
important parameter as it allows the device to be assessed economically in comparison to other energy conversion devices.
The optical properties of solar material are tuned to the radiation that prevails in our ambience and they can absorb, reflect,
transmit or emit radiation in the wavelength ranges for thermal, solar and visible radiation. Photovoltaic energy conversion
consists of two essential steps: first absorption of light which results in creation of electron hole pairs and then separation and
collection of carriers at respective electrodes. The efficiency of solar cell is its ability to convert fraction of incident light to
electrical energy. This conversion efficiency for given solar spectrum depends on the semiconductor material properties and
device architecture. The efficient cells made from photovoltaic material geometries and illuminated under the standard AM1.5
solar spectrum are compared in this review to the fundamental limits based on Shockley-Queisser (S-Q) detailed-balance
model which helps in identifying the key limiting factors, related to efficient light management and charge carrier collection, for
photovoltaic materials. Most solar cells are silicon based as silicon based semiconductor fabrication is now a mature
technology that enables cost effective devices to be manufactured. Today silicon photovoltaic market is dominated by
monocrystalline form but polycrystalline and amorphous types which are a result of engineering of silicon material where
lattice perfection is sacrificed to achieve significant reduction in the costs of solar cell technology are becoming popular. A
very promising R&D area is thin-film crystalline silicon (about 5–30 µm active layer thickness) which would avoid the crystal
growing and sawing processes.
The present paper reviews the past, some current initiatives and critical issues on the efficiency improvement of solar cells
from the material sciences perspective for terrestrial applications. After introduction of the photovoltaic effect theoretical
requirements for the optimal performance of materials for pn-junction solar cells, different generation based on photovoltaic
material used & structure used are discussed. It covers First Generation PV comprising of Single crystal silicon wafers (c-Si)
,Second Generation which covers Amorphous silicon (a-Si) Polycrystalline silicon (poly-Si), and strong contenders Cadmium
telluride (CdTe) ,Copper indium gallium diselenide (CIGS) alloy .The interest has expanded from CuInSe2, to CuGaSe2,
133
CuInS2 and their multinary alloys Cu(In,Ga)(S,Se)2.,Third Generation covers Nanocrystal solar cells , Photoelectrochemical
(PEC) cells , Gräetzel cells , Polymer & Organic solar cells ,Dye sensitized solar cell (DSSC) and in Fourth Generation,
Hybrid - inorganic nanocrystals within a polymer matrix are discussed. Theoretical materials that have not yet been realized
are Auger generation material and intermediate metallic band material. Finally Organic–inorganic lead halide based
perovskites solar cells which are by far the highest efficiency solution-processed solar cells are described.
Typical silicon based solar cell efficiencies ranged from 18% for polycrystalline to 25-26% in high efficiency single crystal
devices that have special architecture for near-complete light trapping and carrier collection and are mostly limited by
remaining carrier recombination losses. Organic solar cells have provided a unique opportunity and gained extensive
attention as a next generation photovoltaic technology due to their light weight, mechanical flexibility and solution based cost
effective processing. Recently organic solar cell efficiencies above 10% have been reached. In contrast, thin-film single-
crystalline GaAs cells (28.8%) show only minimal recombination losses but can be improved by better light management.
Polycrystalline CdTe thin-film cells (21.5%) offer excellent light absorption but have relatively high recombination losses;
perovskite cells (21.0%) and Cu(In,Ga)(Se,S)2 (CIGS) cells (21.7%) have poorer light management, although CIGS displays
higher electrical quality.
However, there are many challenges both in R&D and in commercialization. The Photovoltaic community is working on new
materials, device designs, and process tools, while there is a rapid growth in commercial equipment for improved processing
and higher throughput. The low-efficiency thin film flexible materials can find applications in building-integrated PV systems,
flexible electronics, flexible power generation systems, and many other markets. High-efficiency (>20%) materials find
applications in large-area photovoltaic power generation for the utility grid as well as in small and medium-sized systems for
the built environment. Finally, we conclude with a look at the future challenges and prospects of the development of efficient
photovoltaic materials for meeting global energy demand.
Keywords: Solar cells; Efficiency; Crystalline silicon; Thin-film solar cell materials; silicon PV; Chalcogenide solar
cells; Organic solar cells; Perovskites
134
OP-34
Catalytic Enantioselective Hydrolytic Kinetic Resolution of Terminal Epoxides Promoted by Surface Modified
Mesoporous Silica Linked to Chiral (Salen)Co MX3 Complex
Santosh Singh Thakura*Nidhi Nirmalkarb and Praveen Kumar Yadava
aDepartment of Chemistry, Guru Ghasidas Vishwavidyalaya, Koni, Bilaspur (CG) India-495009
E-mail: [email protected], [email protected]
bCentral Institute of Mining and Fuel Research Bilaspur (CG) India-495001
Abstract:
Enantioselective catalysis by chiral metal complexes supported on inorganic mesoporous materials provides facile methods
for asymmetric synthesis in many ways, at least in terms of facile separation at the end of the reaction. The chiral salen
Co(III) bearing water stable Lewis acid M(OTf)3( M= Y or La) covalently linked to surface modified mesoporous silica have
been prepared. This solid nanostructures chiral salen cobalt material proved to be important heterogeneous catalyst for the
preparation of optically active terminal epoxides and diols via the hydrolytic kinetic resolution route of racemic terminal
epoxides. The heterogeneous asymmetric catalysis has many advantages over homogeneous counterpart on various
properties.
Keywords:Enantioselective Catalysis; Hydrolytic kinetic resolution; Optically active terminal epoxides.
135
OP-35
Decorating a three-dimensional CuMOF on rGO nanosheets as an electrode for high-performance supercapacitor
Sarathkumar K, A.K.guptab, M.K. Singha, N. Guhaa, D.K. Raia*
aDiscipline of Metallurgy Engineering and Materials Science, Indian Institute of Technology Indore, Simrol-453552
bDiscipline of Chemistry, Indian Institute of Technology Indore, Simrol-453552
*Corresponding author E-mail: [email protected]
ABSTRACT
High energy density, good rate capability and long-life span are the prerequisites for high-performance supercapacitor. It can
be achieved by utilizing the combination of pseudocapacitive and electrochemical double-layer capacitor properties in a single
hybrid electrode is an advanced approach. In this work, A 3D hierarchical porous CuMOF/rGO hybrid has been successfully
synthesized using a simple ultrasonication technique. The physicochemical and electrochemical properties of the electrode
material were evaluated. The hybrid material shows excellent supercapacitive performance than its constituent materials. The
maximum capacitance of 867 F/g at a current density of 1 A/g was obtained with 78% capacity retention after 1000 cycles.
Such high electrochemical performance has been attributed to the synergistic effect of both CuMOF and rGO.
Figure. a) Cyclic voltammetry and b) specific capacitance characteristics of the different electrode materials
Keywords: Hybrid material, supercapacitor, metal-organic framework, reduced graphene oxide
REFERENCES
[1] A. K. Gupta, M. Saraf, P. K. Bharadwaj, S. M. Mobin, Inorg. Chem. 2019, 58, 9844.
[2] A. K. Gupta, D. De, P. K. Bharadwaj, Dalt. Trans. 2017, 46, 7782.
136
OP-36
Green Synthesis of a Schiff Base in Aqueous Medium with High Yield and Low Reaction Time
Satyam Kumar Singh
University Department of Chemistry,
Bhupendra Narayan Mandal University,
Madhepura, Bihar-852113
Email:- [email protected]
ABSTRACT:-
Schiff bases with heterocyclic moieties constitute a class of pharmaceutical and medicinally important molecules. The
conventional methods for the synthesis of Schiff bases require long reaction times and use of organic solvents which are
toxic. I in the present communication report a novel and eco-friendly condensation reaction method presenting a green
synthesis of various Schiff bases by stirring 1,2-diaminobenzene with various aromatic aldehydes such as 2-formyl pyridine in
molar ratio 1:2 in water as a solvent. The method is experimentally simple, clean, high yielding green and undergoes
completion with reduced reaction time. The product is purified by simple filtration followed by washing with water and drying
processes. Ni (II) with the reported ligand are also synthesized with physicochemical method such as elemental analysis,
special studies and conductivity measurement. The tetraaza ligand behaves in a tetradentate manner utilizing all of its
azomethinic nitrogen and pyridyl nitrogen for condensation. The stereochemistry of the complex is found to be octahedral.
Anions are coordinated in axial direction. The complex also has significant microbial activity.
KEYWORDS:-
Ni (II) Complexes, Green Synthesis, Spectral Study, Microbial Study.
137
OP-37
Phytochemical screening and Characterization of Petroleum ether extract of Datura stramonium seed oil
Seema Parveen* and Rajni Bais
Department of Chemistry, Jai Narain Vyas University, Jodhpur
Email- [email protected], [email protected]
Abstract-
Background- Datura stramonium is a valuable medicinal plantwhich has diverse biological activities including antifungal,
antibacterial, larvicidal etc.
Aims and Objectives- The aim of our research work is to analyze the physico-chemical properties and Characterization of
Datura stramonium seed oil using petroleum ether extract as an extracting solvent. The main objectives is to make availability
of data relevant to physical and chemical properties of wild seed oils which would be helpful in diagnosing their potential in
chemical and pharmaceutical industries in near future.
Methods- GC-MS technique was employed for characterization of seed oil. The physico-chemical properties were determined
by using standard AOCS methods.
Results and Conclusion- The oil yield found in Datura stramonium is 26.11% moisture content 2.58%, saponification value
112.2, Iodine value 120.05 acid value 7.80 and free fatty acids 285% The amount of saturated fatty acid found is 19.3%and
unsaturated fatty acid is 80.5%.The phytoconstituents obtained from petroleum extract of seed oil are alkaloids, tannins,
flavinoids , terpenoids and saponins. The conclusion drawn from above findings it can be seen that Datura stramonium oil has
immense potential in Pharmaceutical, cosmetics and soap industries.
Key words- Datura stramonium,Phytochemical screening and Characterization.
138
OP-38
Investigation of bio-corrosion in stainless steelby Desulfovibrio desulfuricans bacterium and its mitigation with
green inhibitor
Shiv Kumar Manua*, R. Manivannanb
Department of Chemical Engineering, National Institute of Technology Raipur, 492010, Chhattisgarh, India
[email protected], [email protected]
Usage of plant extracts as metallic corrosion inhibitors has drawn considerable interest over the last few decades. Ideal green
candidatures for removing conventional chemical corrosion are plant products.This work is intended to examine microbially
influenced corrosion on stainless steel due to presence ofDesulfovibrio desulfuricans which is anaerobic bacteria.
Experiments were performed in modified Barr’s medium, both control and inoculated condition. Weight loss method and
sulfide analysis were subsequently carried out to check the extent of corrosion effect by Desulfovibrio desulfuricans. From
SEM/EDS analysis, the surface morphology of metal / inhibitor elements present in the biofilm was examined.
An attempt to reduce the degree of corrosion by the use of green inhibitor was made. The pitting corrosion is confirmed from
the SEM images, which shows the behaviour of the bacteria on stainless steel coupons.Black precipitate deposits in the
bottom of the culture tube revealed the presence of ferrous sulfide and sulfur odour arising from the tube was due to the
bacterial activity. From the findings of the experiments, the activity of Desulfovibrio desulfuricans in the presence of turmeric
extract indicated a decrease in corrosion levels relative to biotic only. The metal's corrosivity is reduced when inhibitors are
used at sufficient concentration.
Keywords: Corrosion inhibitor, Microbially influenced corrosion, Desulfovibrio desulfuricans, scanning electron microscopy,
stainless steel.
139
OP-39
Elucidation of binding interactions between Harmane and Calf Thymus DNA: A Spectroscopic and Molecular
Docking study
Soching Luikham1and Jhimli Bhattacharyya2*
1,2Department of Chemistry, National Institute of Technology Nagaland, Chumukedima, Dimapur 797 103, Nagaland, Email:
[email protected], [email protected];
Peganum harmala (wild rue) is widely grown in various parts of the world and used as a potential folk medicinal plant. A
series of bio-active β-carboline compounds are present in seeds, bark, leaf and root of this plant. Such naturally occurring,
indole alkaloids and their derivatives play the key role for many plant based medicines. Though the traditional uses and
pharmacological effects of those molecules are known, their mechanism of action and scientific background are not explored
yet in details. Harmane (Har) is a widespread bioactive compound belonging to this group of alkaloid, posses, diverse
therapeutic value. In this study, the interaction between Har and Calf thymus (CT) DNA was investigated using UV-Vis
absorbance spectroscopy, fluorescence spectroscopy, fourier transform infra-red spectroscopy (FTIR) and molecular docking
technique(s). The experimental results showed the binding constant was in the order of 106 M-1 which signifies towards
strong binding capacity of Har. Higher salt and temperature conditions destabilized the 1:1 drug-DNA complexation. Salt
dependant studies furnished significant contribution of electrostatic interactions in ligand binding towards DNA.
Thermodynamic profile and energetic of the association reaction were evaluated from temperature dependent fluorescence
spectroscopy. The negative ∆G° and changes in ∆S° & ∆H° confirmed the spontaneity of the binding along with enthalpy-
entropy compensation. IR and MD data substantiated the structural information of the said interaction leading to exploration of
structure-function relationship. These results provide better understanding of pharmaceutical aspects of binding of small
molecule drug to natural DNA.
Keywords: Plant alkaloid based medicine, Harmane, drug-DNA binding, Structure-function relationship, Thermodynamics.
Acknowledgement: This academic research work is supported by NER-Twinning Project Scheme, DBT, Govt. of India. The
authors acknowledge Dr. Souvik Maiti, Senior Principle Scientist, CSIR-Institute of Genomics and Integrative Biology, New
Delhi (collaborator of the twinning scheme mentioned above).
140
OP-40
Biophysical Characterizations of Dietary Polyphenols- Lysozyme Interactions
Sourav Das and Atanu Singha Roy*
Department of Chemistry, National Institute of Technology Meghalaya, Shillong- 793003
E-mail id: [email protected]
Lysozyme is a small globular protein capable of reversibly binding with many small ligand molecules. The complexation of
bioactive dietary polyphenols (DPs), namely, kaempferol, luteolin, chrysin and 6-Hydroxyflavone with hen egg white lysozyme
(HEWL) along with the inhibitory influence of luteolin towards HEWL modification has been explored with the help of multi-
spectroscopic and computational methods. The binding affinity has been observed to be moderate in nature (in order of 104
M-1) and static quenching mechanism was found to be operative in the quenching mechanism. Spectroscopic measurements
along with molecular docking calculations suggest that Trp62 is involved in the binding site of the DPs within HEWL. The
involvement of non-covalent forces such as hydrogen bonding and hydrophobic interactions was indicated by the
thermodynamic parameters. The DPs could alter the secondary structure of the protein as indicated by circular dichroism
(CD) and Fourier-transform infrared spectroscopy (FTIR) studies. Leaving aside the binding study, luteolin, showed promising
inhibitory effect towards the D-ribose mediated glycation of HEWL as well as towards HEWL fibrillation.Excellent correlation
with the experimental observations as well as precise location and dynamics of the DPs within the binding site were obtained
from molecular docking and molecular dynamics simulation studies.1–4
References
1 S. Das, S. , S. Sarmah, M. A. Rohman, D. Paul, M. Jana and A. Singha Roy, Phys. Chem. Chem. Phys., 2019, 21,
12649–12666.
2 S. Das, S. Santra, M. A. Rohman, M. Ray, M. Jana and A. Singha Roy, J. Biomol. Struct. Dyn., 2019, 37, 4019–4034.
3 S. Das, P. Khanikar, Z. Hazarika, A. Rohman, A. Uzir, A. N. Jha and A. Singha Roy, ChemistrySelect, 2018, 3, 4911–
4922.
4 S. Das, Z. Hazarika, S. Sarmah, K. Baruah, M. A. Rohman, D. Paul, A. N. Jha and A. Singha Roy, J. Photochem.
Photobiol. B Biol., 2020, 205, 111825.
141
OP-41
A comparative Multi-state multi-dimensional Quantum-classical dynamics on Compact Polycyclic Aromatic
Hydrocarbons (CPAHs) by parallel TDDVR method
Subhankar Sardar
Department of Chemistry,Bhatter College, Dantan,P.O. Dantan, Paschim Medinipur,Pin - 721426, India
Abstract
The newly implemented [1] parallelized (98.2%) quantum classical dynamical approach, namely, Time Dependent Discrete
Variable Representation (TDDVR) method is applied to the astronomically important phenanthrene, acenaphthene and
pyrene to illustrate their various dynamical aspects, where several conical intersections are exist in their four lowest singlet
excited electronic states (X, A, B and C). The TDDVR method shows almost linear scalability with increasing number of
computing processors. First principles dynamics is performed to the adopted Hamiltonians to obtain photoelectron (PE)
spectra, zero electron kinetic energy (ZEKE), population dynamics and many other dynamical quantities. The reduced
densities of the wave packet in coupled electronic surfaces are used to elucidate the intrinsic dynamical features. TDDVR
calculated [2] and assigned ZEKE spectra of all CPAHs are found to be good agreement with the previous experimental data
and other available theoretical results.
Parallelization scheme of TDDVR method
References:
[1] S. Mandal, S. Ghosh, S. Sardar, S. Adhikari, Inter. Rev. in Phy. Chem. 37 (2019) 607.
[2] S. Sardar, Comput. and Theo. Chem. (Elsevier) 2020 (under review).
142
OP-42
Heterogeneous recyclable copper oxide supported activated red mud as an efficient and stable catalyst for the one
pot hydroxylation of benzene to phenol
Subhashree Mishra, a Rajaram Bal*b and Ratan Kumar Dey*a
a)Department of Chemistry, Central University of Jharkhand (CUJ), Ranchi – 835 205, India, E-
mail:[email protected];[email protected],Tel:+91-671-2953002
b)Catalytic Conversion & Processes Division, CSIR-Indian Institute of Petroleum (IIP), Dehradun-248005, India
E-mail: [email protected];
Phenol is a key intermediate in chemical industry. This research work reports facile synthesis of a new copper supported red
mud as a heterogeneous catalyst for oxidative conversion of benzene to phenol. The process includes one step benzene
hydroxylation reaction using H2O2 as an oxidant. The prepared material was characterized using FTIR, XRD, XPS, TEM and
BET surface area analyzer. The meso-porous characteristics of the material with surface area of 58.5 m2 g–1 and pore volume
of 0.163 cm3 g–1 indicate material properties suitable for catalytic applications. The one-pot hydroxylation reaction, carried out
at 75 oC under optimum reaction conditions in presence of catalytic material, shows conversion of benzene to phenol with
84.2% and 87.1 % selectivity and conversion efficiency, respectively. The catalyst shows good kinetic control over the
decomposition of oxidanton the surface leading to 87.1% overall conversion efficiency. The reusable properties of the
catalytic material, tested up to 5th consecutive cycles of batch operation (Fig.1) also indicate retention of selectivity (83.9%) as
well as conversion efficiency (86.7%) adhering to principle of green chemistry. Comparative aspect with reported commercial
catalysts indicates promising future commercial application of new catalytic material due tobetter conversion and selectivity in
competitive conditions.
Fig. 1.Reusable properties of catalytic material for the hydroxylation of the benzene.
143
OP-43
Synthesis, characterization and analysis of magnetic properties of doped Nickel (II) Ferrite Nanoparticles
Sudip Majumdera,*, Pratibha Sharmaa, Preeti Yadava, Hiroki Satob, Tomoyuki Haraguchib, Takashiro Akitsub
aDepartment of Chemistry, Amity School of Applied Sciences, Amity University Haryana, India
bDepartment of Chemistry, Faculty of Science, Tokyo University of Science, Kagurazaka, Shinjuku-Ku, Tokyo 162-8601,
Japan
Nanoferrites have become increasingly important in recent years due to their diverse application in various fields including
electronics, material sciences and medical biotechnology. Here we have successfully synthesized Nickel (II) Ferrite (NiFe2O4)
by aqueous precipitation method and doped it stoichiometrically by Li+ and Bi3+ions respectively to accomplish n and p doped
Nickel ferrites respectively through a cost effective avenue. Powder X-Ray Diifraction (PXRD) and Fourier Transform Infrared
(FTIR) Spectroscopy were utilized to investigate the structural features of the doped ferrites. Furthermore, all the samples
were analyzed for their magnetic properties.
M-H plot of these samples shows strong ferromagnetic character, whereas M-T data shows leap increase in magnetization
that gets enhanced with doping.
144
OP-44
Evaluation of novel Zinc(II) and Copper(II) Schiff Base Complexes: Combined Experimental and Theoretical
Investigation on Their DNA/Protein Binding Study and In-Vitro Anticancer Activity
Tithi Maity
Assistant Professor in Chemistry, Prbhat Kumar College, Contai
Email: [email protected]
Two new metal complexes namely [Zn2(LH)2(N3)4] (1) and [Cu(L)(N3)] (2) have been derived from a Schiff base ligand, (E)-2-
(((2-(piperidine-2-yl)ethyl)imino)methyl)phenol (HL) employing azide as the secondary anionic residue. Single crystal
structural analyses suggest a unique protonation of the piperidine N during the crystallization of the dinuclear motif of complex
1 which is non-operative in case of complex 2 governing diverse denticity of the ligand backbone. After thorough
characterization, the complexes are exploited to check their bio-medical applications. Both the complexes exhibit impressive
binding efficacy with CT DNA as well as Human Serum Albumin (HSA) protein as revealed from electronic spectroscopic
measurements. A sharp fluorescence quenching of the DNA-EtBr conjugate and HSA protein has been encountered
separately via the addition of complex 1 and 2 with quenching constant of the order of ~105M-1. Molecular docking study has
also been done to justify the experimental outcomes along with the determination of the interaction site and energy. Finally
both the two complexes are tested for anti cancer activity using HeLa (cervical cancer cell) and PA1 (ovarian cancer cell) cell
line through in- vitro MTT assay which suggest better cancer cell killing efficacy of complex 2 and it was further supported by
nuclear morphology study by staining technique . Hemolysis assay result explored no consequential impact on RBC.
145
OP-45
An Efficient and Scalable Approach for the Synthesis of Piperazine based Glitazone and its Derivatives
Vijay Kumar Sharma a, b, Anup Barde*b, Sunita Rattan*a,
aAmity Institute of Applied Sciences, Amity University Uttar Pradesh, Sector-125, Noida, India; bIntegral Bio Sciences Pvt. Ltd.
C-64, Hosiery Complex, Phase-II Noida Uttar Pradesh, India
Diabetes has become a serious threat to human health in recent years. A recent report of the International Diabetes
Federation shows that around 463 million adults (20-79 years) are living with diabetes (IDF Diabetes Atlas Ninth Edition
2019). Two types of glycemic disorders viz. Type1 and Type 2 Diabetes mellitus (T2DM)have been identified out of which,
T2DM is the most widespread form of diabetes, representing around 90% of all diabetic patients world-wide. T2DM can be
treated by various types of drugs.[1] Glitazoneshavebeen used widely as anti-diabetic agent individually or in combination with
other drugs. Though glitazones are effective medications for treating insulin-resistant diabetes, the use of drugs such as
Rosiglitazone and Pioglitazone and Lobeglitazone is declining owing to safety concerns regarding cardiovascular mortality
and bladder cancer. [2]
A versatile and efficient synthetic approach has been developed for the synthesis of piperazine based glitazones
analogous to Lobeglitazone. Desired compounds were synthesized with good yields by alkylation of piperazine substrate with
various carbonyl compounds. This substrate has the potential for construction of novel heterocyclic compounds with
medicinal importance.
Significance, synthetic strategy, experimental details and characterization of these newly developed interesting molecules will
be presented in the oral presentation.
References
[1] Marín-Peñalver, J. J.; Martín-Timón, I.; Cristina, S. C.; and Francisco, J. C.; World J Diabetes. 2016, 7(17): 354–395.
Lee, M. A.; Tan, L.; Yang, H.; Yeong-Gwan, I.; Young Jun, I. Scientific reports 2017, 7(1), 16837, 1-11.
146
OP-46
[4+2] Cycloaddition Reaction of 3-benzylidineamino-[1,2,4]-triazole with sulfene and their antifungal activities
Susanta Kumar Borthakura, Pabitra Kumar Kalitab and Sukanya Borthakurc
aPG Department of Chemistry, Arya Vidyapeeth College, P O : Gopinath Nagar, Guwahati-781016, Assam, India
b Department of Chemistry, Sibsagar College, P.O. Joysagar-785665, Assam, India
c Materials Science and Technology Division, CSIR-North East Institute of Science and Technology, Jorhat-785006, Assam,
India
E-mail: [email protected]
Fused 1,2,4-triazole represent an interesting class of compounds due to their versatile biological activities and their synthesis
has attracted the attention of several synthetic groups. Some times the fusion of heterocyclic nuclei enhances the biological
profile manifold more than its parent nucleus. The 1,3,5-thiadiazine and its derivatives are reported to be insecticidal and
accaricidal activity. These compounds are also reported to possess antifungal, hyplopemic and antiatherosclerotic activity.
The triazolo-thiadiazines are reported to be antimicrobial, antibacterial, anticancer and diuretic activity. These diverse
biological activity prompted us to synthesise some [1,2,4]-triazolo[3,2-c]1,3,5-thiadiazine-3,3-dioxide derivatives with the
expectation of enhancing the biological activities of these class of compounds. The title compounds were synthesized from 3-
benzylidineamino-[1,2,4]-triazole and sulfene generated in situ by a [4+2] Diels-Alder Cycloaddition reaction. 2-
substituted[1,2,4]-triazolo[3,2-c]-thiadiazine3,3-dioxide derivatives were successfully synthesized by the dropwise addition of
methanesulfonyl chloride in dioxane to a solution of 3-benzylidineamino[1,2,4]-triazole in dioxane at 0-50c under stirring during
30 min. The stirring was continued for a period of 3-4 hour at the same temperature. The reaction mixture was then poured
into ice and extracted with chloroform and dried over anhydrous Na2SO4.The solvent was removed under reduced pressure
and recrystallization of the residue gave the title compounds. All the compounds were characterized from 1H NMR,IR, MS
spectra and elemental analysis.The newly synthesized compounds were also tested for antifungal activities against
Rhizoctonia solani and Drechslera orazae, two fungal pathogens causing diseases on rice crop.
References:
1. [4+2] Diels-Alder Cycloaddition reaction of 2-benzylidineamino-4-phenyl-1,3-thiazoles with sulfene and their
antifungal activities.Susanta Kr. Borthakur, Paran Boruah and Birendra N. Goswami, J. Chem. Research, 2007,
February, 127-128
147
OP-47
The Potable Water Quality Characterization of three sectors in and around PurneaDistrict (Bihar) India.
Alok Kumar Yadav
Department of Chemistry, B.N.M.U, Madhepura,Bihar, India
Email:- [email protected]
Abstract
Ground water is the major source of drinking water in both urban/rural areas and mainly polluted through the non point
(diffusion) sources .Moreover,the sustainability of water for a particular use depends on the type and amount of impurities
that will some way or the other affect the desired use. The fluctuation in the key parameters of drinking water can be
attributed to domestic disposal and sewage in flow into the water bodies which can leach up to the groundwater table. Thus,
the present study were undertaken to characterize the physico-chemical parameters of underground water. Suitable
suggestion such as improving the sanitary and draining system and safe domestic disposal can control the degradation of
quality of the underground water.
Key Words: Water Pollution, Water Quality,Non Point (Diffusion) sources, underground water table.
148
OP-48
A review on metal-organic frameworks: Synthesis and applications
Dr. Abhinandan Rana
Assistant Professor, Dept. of Chemistry, Garhbeta College, Garhbeta, Paschim Medinipur, 721 127.
E-mail:[email protected]
Abstract
Metal-organic frameworks (MOFs) are organic-inorganic hybrid crystalline porous materials that consist of a regular array of
positively charged metal ions surrounded by organic 'linker' molecules. The metal ions form nodes that connect the arms of
the linkers together to form one-, two-, or three-dimensional structures. Due to this void structure, MOFs have an unusually
large internal surface area.They have received enormous interest in recent years particularly as newly developed porous
materials. They possess a wide range of potential applications like gas storage, catalysis, sensor, drug delivery adsorption
etc. In the present review article various methods of synthesis and applications of MOFs have been discussed.
Keywords: Metal-organic frameworks; Synthesis; Gas storage; Sensors; Adsorption; Catalysts.
References
1. N. Stock and S. Biswas, Chem. Rev., 2012, 112, 933.
2. M. Safaei, M. M. Foroughi, N. Ebrahimpoor, S. Jahani, A. Omidi, M. Khatami, Trends in Analytical Chemistry,2019,118,
401.
3. R. J. Kuppler, D. J. Timmons, Qian-Rong Fang, Jian-Rong Li, Trevor A. Makal,Mark D. Young, Daqiang Yuan, Dan
Zhao,Wenjuan Zhuang, Hong-Cai Zhou,Coordination Chemistry Reviews,2009,253, 3042.
4. A. C. Tella and I. Y. Aaron, Acta Chim. Pharm. Indica, 2012, 2, 75.
149
OP-49
AN ASSESSMENT ON WATER QUALITY OF LAKES OF BENGALURU
Amita Somya*
*Department of Chemistry, Presidency University, Bengaluru-64, Karnataka
E-mail: [email protected]
Abstract:
Water is one of the valuable and precious resources gifted by nature. Lakes and reservoirs, main source of surface water,
holding approximately 90% of the world’s fresh water are being utilized for industries, agriculture, fisheries, energy production,
domestic and many other day to day activities. The environmental status of the lake systems always depend upon their
exposure to several environmental factors that’s why surface water quality not only depends on natural processes like
precipitation inputs, weathering of crustal material and erosion etc. but, on anthropogenic impacts such as industrial, urban
and agricultural activities too.
The city of Bangalore, called as Lake City, in southern India is rapidly expanding and in less than four decades, the landscape
surrounding the lake has altered from a fundamentally agricultural area, dependent on the lake for irrigation and drinking
water, to a densely urbanized area where the lake is used predominantly for recreation. Lake water is a source of drinking
and domestic use for rural and urban population of India. The effect of urbanization has taken some heavy toll on the
Beautiful lakes in Bengaluru. Hence, the aim of present study has been to assess water quality of different lakes of
Bengaluru. For the same, water samples were collected from i.e., Sankey tank, Ulsoor, Bellendur and Hebbal lakes, situated
in different parts of Bengaluru and various physico-chemical parameters were analyzed in addition to some heavy metals to
check the fitness of water for human consumption.
Key words: Water, Lakes, Bengaluru, Physico-chemical analysis, Water quality.
150
OP-50
Mono and tri-nuclear cobalt(III) complexes with sterically constrained phenol based N2O2 ligand : Synthesis,
Structure and Catechol oxidase activity
Debdas Mandal
Department of Chemistry, Sidho-Kanho-Birsha University, Purulia - 723104, West Bengal, India
E mail – id: [email protected] Mono and tri- nuclear Co(III) complexes, [Co3(OMe)4L2]ClO4 (1) and [CoL(acac)] (2) have been synthesized
using sterically constrained tetradentate ligand N,N/-dimethyl-N,N/-bis(2-hydroxy-3,5-dimethylbenzyl)-ethylenediamine (H2L)
with varying reaction condition. Both the complexes have been characterized using various spectroscopic tools. Structural
analysis reveals that 1 is tri-nuclear methoxo and phenoxo bridged cobalt complex with CoIII – CoIII – CoIII linear core, whereas
2 is mononuclear mixed ligand octahedral Co(III) complex. Both compounds are structurally characterized by single crystal X
- ray diffractometer as well as various spectroscopic tools. The complex 1 crystallizes in orthorhombic space group C2 2 2
1with a = 12.651(4) Å, b = 14.698(5) Å, c = 26.854(9) Å while mono-nuclear complex 2 crystallizes monoclinic space group
Cc with a = 8.917(16) Å, b = 24.05(4) Å, c = 12.10(2) Å.Both compounds show catechol oxidase activity.in methanolas
monitored by the UV–Vis spectroscopy of the aerial oxidation of 3,5-DTBC to 3,5-DTBQ. The kinetic parameters have been
determined using Michaelis–Menten approach.The complexes are efficient catalysts with high turnover numbers 3.32 × 103
h-1 and 2.19 × 103 h-1 for 1 and 2, respectively. Mechanistic investigations of the catalytic behaviour by ESI-MS spectra and
estimation of hydrogen peroxide formation indicates that the catalytic reaction occurs through the reduction of Co(III) to Co(II).
151
OP-51
Cellulose nanofibers (CNFs) from vegetable waste: isolation and characterization
Sunil K. Bhanjaa, Sukesh Patrab*
aDepartment of Chemistry, Government General Degree College, Kharagpur-II, Paschim Medinipur, 721149, West Bengal,
India.
bDepartment of Chemistry (UG & PG), Midnapore College (Autonomous), Midnapore, 721101, West Bengal, India.
* Corresponding author.
Email: [email protected]
________________________________________________________________________
The peel of vegetable of municipal waste is a big environmental hazard in municipal area. Municipal waste was explored as a
source of raw material for production of cellulose nanofibers (CNFs). Cellulose nanofibers were isolated from peel various
vegetables like cucumber, pointed gourd, luffa, etc. using alkaline treatment, bleaching and acid hydrolysis to eliminate non-
cellulosic compounds and amorphous cellulose. Chemically treated cellulose fibers were then mechanically tailored and
separated into nanofibers using high-intensity ultrasonication. Purity of the cellulose was characterized by Fourier
transformation infrared (FTIR) and 13C NMR spectroscopy. Crystallinity of cellulose nanofibers was characterized by X-ray
diffraction (XRD). FTIR, XRD and SEM results indicated chemical treatment employed was effective in removing compounds
other than cellulose fibers. SEM images supported the presence of nanofibers of cellulose. Municipal waste can be
considered as a renewable source of nanofibers and it reduces somewhat environmental problem in urban area.
Keywords: Carbohydrate, vegetable waste, cellulose, NMR, CNF.
___________________________________________________________________________
152
OP-52
Synthesis of 2,5-disubstituted Oxazole Dyes Involving a Two-step Strategy
Jyotirmoy Maiti, Suman Biswas*,Ranjan Das*
Department of Chemistry, West Bengal State University, Kolkata-126
More than hundred years old oxazole-chemistry has drawn a great deal of attentions of the chemists and
researchers over the world since when a large number of oxazole containing cyclic and acyclic bio-active natural products
have been isolated in late 1980s. Both the synthetic chemists and bio-chemists started to take interests towards these
oxazole-based macromolecules owing to their challenging structural features and a wide range of bio-activity.
2,5-disubstituted oxazole dyes have been emerging a powerful tool for photophysical studies ever since the recent
development related to fluorescence property of oxazole containing dyes which are showing advantages towards the
detection of various bioanalytes. We have engaged our efforts towards this and recently published a paper on the
photophysical study of such a commercial 2,5-disubstituted oxazole dye, namely sodium salt of 5-(4’’-dimethylaminophenyl)-
2-(4’sulfophenyl)oxazole (DMO) in micelles. With this successful study we took two-step strategy to synthesize 2,5-
disubstitutedoxazoles, which are expected to show environment-sensitive fluorescence.The first step isthe classical van
Leusen protocolto get 5-substituted oxazole followed by arylation at C-2 to afford our desired 2,5-disubstituted oxazole.
TosMIC + Ar1-CHObase
van Leusen protocol N
OAr1
5-aryloxazole
Ar2-X
N
OAr1 Ar2
2,5-disubstituted oxazole
metal-assisted arylation
153
OP-53
Relevance of π-stacking in tuning the neighboring structural pattern of soft nano-aggregates
Gulmi Chakrabortya, SoumikBardhanb, SoumenGhosha and Swapan K. Sahac*
aDepartment of Chemistry, Jadavpur University, Kolkata 700032, India.
bBJM School of Biosciences and Department of Biotechnology, Indian Institute of Technology Madras, Chennai 600036
cDepartment of Chemistry, University of North Bengal, Darjeeling, 734 013, India.
*corresponding author, E-mail: [email protected]
Abstract:
Smart wormlike micellar blends can be readily formed from surfactant micelles in presence of counterion, salt or under
varying conditions of pH, concentration, salinity driven by cation-π interaction whereas the role of π-π interaction in the same
remains less explored. In this investigation the impact of π-π interaction on nanoaggregates of cationicamphiphile viz.,
cetylpyridinium bromide (CPB) in contrast with the cation-π interaction in cetyltrimethylammonium bromide (CTAB) in the
presence of surface-active aromatic π conjugated hydroxy aromatic derivatives of naphthaleneviz., 1 Naphthol, 2 Naphthol
and 2,3 Dihydroxynaphthalene is reported. The presence of π-π interaction in CPB enables stronger synergism between the
hydroxynaphthalenes compared to the non-aromatic analogue CTAB while face-to-face stacking interaction in CPB-
hydroxynaphthalene systems lead to formation of worm like micelle (WLM) with relatively short entanglement lengths as
compared to that in CTAB. The modification of surface parameters and molecular interactions of the systems are studied via
tensiometry, 1H nuclear magnetic resonance (NMR), 2D-Nuclear Overhauser effect spectroscopy (NOESY) and small angle
neutron study (SANS). The non-Newtonian behavior of the complex fluids comprising the cationic amphiphiles and
hydroxyaromatic derivatives are studied using static and dynamic rheometry.
Keywords: π-π interaction; morphology transition; interface curvature; NOESY; rheology
154
OP-54
Chemistry: INEVITABLE CHEMISTRY
Ms. Pallobi Sarkar
State Aided College Teacher Surya Sen Mahavidyalaya
E.Mail: [email protected]
Chemistry is a central science and is interconnected to all other branches .If living body is made up of Chemistry in each bit ,
we can describe each and every non living bodywith chemistry. Humans today live markedly better lives than our ancestors.
One big reason-Chemistry .The chemical industry produces near about 70,000 commercial products. In many
countries,however the commercial industry is often viewed by general public,as causing more harm than good.There are
several reasons for this , including general ignorance of the end use and value of the industry's product, however a major
reason is that the industry is perceived as being polluting and causing significant damage.Probably , the term “Environmental
Degradation “ does not connect any other branch as Chemistry can.We are surrounded by Chemicals and one truth is we
can’t be Chemical-less.It is rightly said that “ what you don't have ,can’t harm you ” My presentation will cover a comparative
study starting from contribution of chemistry to human kinds , environment to giving sustainable solutions ,ensuring that if
chemistry is the reason &then also only Chemistry is the panacea but obviously taking beside other fields of science &
technology.
Key words: Sustainable, central , panacea .
155
OP-55
Macrocyclic Zn(II) complexes as potent catalysts for the ester hydrolysis
Sarvesh Kumar Pandey
Department of Chemistry, DDU Gorakhpur University
Gorakhpur-273009, Uttar Pradesh, India
E mail: [email protected]
ABSTRACT
A new series of Zn(II) macrocyclic complexes has been synthesized by the reaction of different Schiff bases in the presence
of zinc(II) acetate dihydrate in ethanol. The complexes have been characterized by means of elemental, spectral (IR, 1H and
13C NMR) and SEM analysis. The kinetic studies were done to study the catalytic properties of these complexes towards the
hydrolysis of p-nitrophenylacetate (pNPA) at 25°C in aqueous dimethylsulfoxide using phosphate buffer (pH = 7.0–8.5). On
the basis of these studies, a plausible mechanism for the hydrolysis of pNPA is proposed. Therefore, this type of complexes
can be used as potent catalysts for ester hydrolysis.
Keywords: Macrocyclic ; Zinc(II) complex; SEM; ester hydrolysis, Kinetics
156
OP-56
Demulsification of Crude Oil using naturally formulated low temperature Demulsifier
Yogesh Dhandhiand Dr.Tarun Kumar Naiya*
Department of Petroleum Engineering, Indian Institute of Technology (ISM), Dhanbad
*Email ID: [email protected]
ABSTRACT
The crude oil emulsion is one of the main issues facing the oil and gas industry from the underground (tank) to the surface.
Because the environment in which hydrocarbons (Petroleum) are discovered is probable to generate water alongside crude
oil, this study attempts to discover a solution to the constant issue of using locally developed demulsifier to treat crude oil
emulsion. A significant issue for the oil industry globally is the need to create a cost-effective and efficient demulsifier to treat
crude oil emulsions without compromising quality and environmental safety. This research therefore seeks to develop and
formulate inexpensive and environmentally secure demulsifiers. Materials used in the formulation of the local Demulsifier
include vegetable oil, wax, liquid soap, amylum and tested on the Indian field crude oil.To test the efficiency of locally
formulated demulsifier static bottle test is performed, it is conducted at distinct temperatures up to 80ºC. In addition, the
formulated demulsifier is further explored with more effective demulsification variables such as temperature, demulsifier
concentration, pH, and salinity. Separation of emulsion is discovered to improve with increased concentration of demulsifier,
increased temperature, and increased concentration of salt.
It is found that in comparison with commercial demulsifier the new formulation gave 75% volume of water separation while
commercialdemulsifiergave45% volume of water separation from the emulsionat 60ºC. Water quality has also been screened
and discovered to contain 1% of sediments divided to 0.67%. Thus, the aim of this document is to formulate a fresh
environmentally friendly local cost-effective demulsifier and to compare it for quality check with commercial demulsifier.
157
OP-57
Total Synthesis of Indolizidine heterocycles
Dr. Bibhuti Bhusan Parida
P. G. Department of Chemistry, Berhampur University, Odisha
N-heterocycles play very important role in medicinal chemistry. N-heterocycles displays wide range of biological activities,
role in drug discovery and many others. Indolizidine heterocycles isolated from various sources. The indolizidine heterocycles
exhibit several biological activities. The general method of palladium catalyzed cross coupling of cyclopropanol with acyl
chloride to yield 1,4-diketone was employed as key step. The 1,4-diketones, synthesized as building blocks using the method
developed, was used in construction of various substituted indolizidines. The method of construction of 1,4-diketones is
compatible to many functional groups which is necessary in multistep synthesis and synthetic organic chemistry especially in
total synthesis. This method is robust, provides gram scale synthetic method for indolizidine class of natural products.
N
R
H
R
R1
OH
R2
Et2Zn,Pd(PPh3)4 (5 mol%)
R
O
Cl
(slow addition)
R1
O
R2 O
R
R = aryl, alky
-unsaturated
Reference: (1) B. B. Parida, P. P. Das, M. Niocel, J. K. Cha, Organic Letters, 2013, 15, 1780-1783
(2) N. N. Rao, B. B. Parida and J. K Cha, Organic Letters, 2014, 16, 6208-6211
158
OP-58
ADSORPTIVE REMOVAL OF HEAVY METAL FROM AQUEOUS MEDIUM
Dr.Sourav Majumder
State Aided College Teacher
Department of Chemistry, Kaliachak College, University of Gour Banga
Email: [email protected]
ABSTRACT
Application of cynodon dactylon and orange peel powder for the removal of Cd (II), major hazardous heavy metals of the
environment is discussed here. The extent of adsorption depends on pH, adsorbent dose and contact time. An increase in
percentage removal of cadmium is observed when pH is varied from 4 to 6.5. Experimental data interpret Freundlich and
Langmuir isotherm describing favorable biosorption with orange peel powder with cynodon dactylon percentage removal at
pH 6.5 is 46.8% .On varying pH, there was no change in percentage removal takes place. Cynodon dactyl on removes
cadmium through roots stems and leaves whereas orange peel powder is effective due to its active sites. 100 ml 1 ppm Cd
(II) solution is treated with 1 g orange peel powder up to different intervals of time as a result of which maximum percent
removal of 65.8% is obtained. Further10 g of cynodon dactylon on treatment with 100 ml 1ppm Cd solution up to 24 h, 48 h
and 72 h gives 0.562 ppm, 0.54 ppm and 0.532 ppm residual concentration of Cd .It may be concluded that orange peel
powder is an effective adsorbent of Cd (II) from aqueous medium.
Figure: log qt vs. log ct (Freundlich isotherm Cd (II) ion- orange peel powder system) at 260c and pH 6.5 & ct/qt vs ct
(Langmuir Isotherm of Cd(II)- orange peel powder system) at 260c and pH 6.5.
159
OP-59
Use of Semiconductor Nanomaterial for the Degradation of Organic Compound in Water
Trishita Bhattacharjee1, Chaudhury Gaurav Malik (third year,B.Tech)
1,2Department of Chemical Engineering, Haldia Institute of Technology, Haldia 721657 West Bengal, India.
Continuously increase of toxic organic component in surface and ground water become an emerging issue for the
environment in the recent years. Different classes of numerous organic compounds have been passes through sewage
treatment plants (STPs) of industry and municipality, which in turn contaminate in the aquatic environment. In general,
organic compounds present in industrial wastewater are difficult to degrade due to its complicated structures. The toxic
compounds present in water include aromatic compounds, antibiotics, dyes, etc. There is a dangerous effect of such
component towards human beings, animals and other aquatic life when presence in excess quantity in water. Metal oxide
semiconductor nanomaterial plays an important role in degradation of the organic compounds in water. Photo catalytic
degradation of toxic organic compounds in water is considered as an advance water treatment process over conventional
processes such as membrane filtration, adsorption, etc. This study focuses on the degradation efficiency of the
semiconductor nanomaterial in the degradation of organic pollutants in water. Semiconductor materials such as TiO2, CdS,
ZnS, etc have prominent role in the photo degradation of organic compounds.1 Among several metal oxide semiconductor
nanoparticles TiO2 is proved to be a promising candidate for photo catalysis because of its higher efficiency, low toxicity, and
long term stability, low cost, photo induced strong oxidation activity. Along with band gap of material surface area is also an
important parameter to enhance the activity of anyphoto catalyst. Nanomaterials of different morphologies such as
nanowires2, nanotubes3, nano rods,4 and nano spherewere proved to be more active compared to regular spherical
nanomaterials. Especially hollow nanoparticles have attracted considerable attention because of its larger surface area along
with some parameter, such as low density, good surface permeability and high light-harvesting efficiencies.
Keyword: Semiconductor; Nanomaterials,Nano spheres, Organic compounds, Photo catalysis.
Reference:
1. Boxi .S.S; Paria.S. Effect of silver doping on TiO2, CdS, and ZnSnanoparticles for the photocatalytic degradation of
metronidazole under visible light.RSC Adv., 2014, 4, 37752
2. Ji.L, Wang.Z, Li.Z and Liang.J, Preparation of Aligned Titania Nanowires with an Aligned Carbon Nanotube Composite
Template, Mater. Lett., 2008, 62, 1979–1982
3. Grandcolas.M, Ye.JandHanagata.N, Combination of Photocatalytic and Antibacterial Effects of Silver Oxide Loaded on
Titania Nanotubes, Mater. Lett., 2011, 65, 236– 239
4. Zhang.Y,Gao.Y, Xia.X.H, Deng.Q.R, Guo.M.L, Wan.LandShao.G, Structural Engineering of Thin Films of Vertically
Aligned TiO2 Nanorods, Mater. Lett., 2010, 64, 1614–1617.
5. Boxi .S.S; Paria.S.Visible light induced enhanced photocatalytic degradation of organic pollutants in aqueous media
using Ag doped hollow TiO2 nanospheres.RSC Adv., 2015, 5, 37657
160
OP-60
161
OP-61
Small molecule inhibits insulin fibrillogenesis and preserves activity
Anirban Das,a Yogesh M. Gangarde,aVinitiTomar,b Omkar Shinde,bTulsi Upadhyay,bSarfaraz Alam,aSudiptaGhosh,a Varun
Chaudharyb& Ishu Saraogi*,a,b
aDepartment of Chemistry, IISER Bhopal,bDepartment of Biological Sciences, IISER Bhopal,
Bhopal Bypass Road, Bhopal – 462066, Madhya Pradesh, INDIA
(E-mail: [email protected])
Amyloidogenesis is a well-known phenomenon observed in various diseases like Alzheimer’s, Parkinson’s etc.[1] Insulin
amyloidosis, while rare under physiological conditions, has been observed at repeated insulin injection site in diabetic
patients.[2]Additionally, the aggregation of insulin poses significant challenges during its industrial production, storage and
transport; and reduces bioavailability of insulin in diabetic patients.[1] Thus, it is necessary to develop small molecule inhibitors
of insulin aggregation, both for potential biomedical applications and to provide valuable mechanistic insights into the
aggregation process.
M1 was found to be the most potent molecule for insulin aggregation inhibitionfrom our primary biophysical analysis.[3]Further,
M1 showed a dose dependent effect on insulin fibril formation as revealed by Thioflavin-T (ThT) assay and TEM imaging.
These results were consistent with Circular Dichroism(CD) assay, which showed reduction in β-sheet formation in M1 treated
insulin. Molecular Docking study revealed that M1 potentially bind to and stabilized the partially folded insulin intermediate. In
cell-based assays, M1 was found to protect HEK293T cells from insulin amyloid induced toxicity. Further, M1 treated insulin
was found to be functionally active in maintaining cell proliferation in Drosophila melanogaster wing epithelium. This work
identifies M1 as a potential lead molecule to prevent insulin amyloidosis.
References:
[1] J. Brange, L. Andersen, E. D. Laursen, G. Meyn, E. Rasmussen, J. Pharm. Sci.1997, 86, 517–525.
[2] F. E. Dische, C. Wernstedt, G. T. Westermark, P. Westermark, M. B. Pepys, J. A. Rennie, S. G. Gilbey, P. J. Watkins,
Diabetologia1988, 31, 158–161.
[3] A. Das # , Y. M. Gangarde # , V. Tomar, O. Shinde, T. Upadhyay, S. Alam, S. Ghosh, V. Chaudhary, I. Saraogi* , Mol.
Pharm2020, 17, 1827
162
OP-62
Use of waste materials in road flexible pavement: a novel study
Krushna Chandra Sethi1, Pravat K. Swain2
1Dr.K.N Modi University, Newai, Rajasthan, India 2Department of Chemistry, Satyasai Engineering College, Balasore-756002, India
Email:[email protected]
Abstract
Bituminous Concrete (BC) is a composite material mostly used in construction projects like road surfacing, airports, parking
lots etc. It consists of asphalt or bitumen (used as a binder) and mineral aggregate which are mixed together & laid down in
layers then compacted. Now a day, the steady increment in high traffic intensity in terms of commercial vehicles, and the
significant variation in daily and seasonal temperature put us in a demanding situation to think of some alternatives for the
improvisation of the pavement characteristics and quality by applying some necessary modifications which shall satisfy both
the strength as well as economical aspects. . The present work depicts the use of a new modifier (liquid form) for
development of cost effective and high performance modified binder and its mixes application for construction and
maintenance of asphalt roads. The goal of improving bitumen properties is achieved using 0.5 percent of a co- polymer Vinyl
Acrylic. The need of the current hour is to use the waste polythene in some beneficial purposes. Lime & fly ash were used as
filler in modified bituminous concrete mixes. Various volumetric properties e.g.air voids, VMA, VFB and mechanical
properties like , Indirect tensile strength (ITS), Tensile strength Ratio (TSR), Retained stability, Marshall Stability, Flow value,
are determined. Performance tests like Rutting, Resilient Modulus, Dynamic creep and fatigue were also conducted on
conventional and modified mixes of VG-30. Various percentages of polythene are used for preparation of mixes with a
selected aggregate grading as given in the IRC Code. The role of polythene in the mix is studied for various engineering
properties by preparing Marshall Samples of BC mixtures with and without polymer.
Keywords: Bituminous Concrete (BC), Marshall Stability, Flow value, Optimum Binder Content
163
OP-63
Optical Properties of MnCl2 doped Polyvinyl Alcohol/MnCl2 Composite Film
M. Banerjee,1 Amit Jain,1,2 G.S. Mukherjee3*
1Nanoscience and Nanotechnology Laboratory, School of Physics, Devi Ahilya University, Indore- 452001, India
2Department of Engineering Sciences and Humanities, Indore Institute of Science and Technology, Indore, 453331, India
3Defence Research & Development Organization (DRDO), DMSRDE, Kanpur, 208013, India
------------------------------------------------------------------------------------------------------------------------------------- -
Abstract
Composite films of pristine PVA (polyvinyl alcohol) and its MnCl2 filled polymer composite film, MPVA have been prepared
and their optical properties have been determined. X-ray diffraction, FTIR, and uv–vis analyses reveal that there is strong
interaction between manganese chloride salt and the PVA polymer. Interchain separation (R) for MPVA composite and
pristine PVA films was found to be 4.69 and 5.60 Å respectively, thus showing polymer chains are more compact in the
composite film MPVA. Optical energy band gap of polyvinyl alcohol was found to have decreased on incorporation of MnCl2
in polyvinyl alcohol to effect ca. 2.5-fold increase in optical conductivity. Refractive index of the composite film MPVA was
found to be higher than that of PVA in the visible range up to 710 nm but beyond that it became lower than that of PVA.
Incorporation of MnCl2 to PVA led to increase in dispersion energy. Urbach energy (Eu) for MPVA and PVA was found to be
0.8.2 and 0.70 eV respectively. Morphological study reveals formation of sunflower like structure at nano-scale level in the
composite film and it exhibits a higher roughness and absorbance than those of pure PVA film. Average oscillation
wavelength (λ0) and oscillation strength (S0) were determined where MPVA found to show higher oscillation strength (S0)
than that of PVA.
164
OP-64
Aquatic protic ionic liquid enhanced the synergistic H-bonding interactions of interfacial water at nanoscale
environment
Soumik Bardhana,b, Shankha Banerjeea and Sanjib Senapatia
aBJM School of Biosciences and Department of Biotechnology
Indian Institute of Technology Madras, Chennai 600 036, India
bPresently at Department of Chemistry, Rampurhat College (Govt. Spons.)
PO: Rampurhat, Birbhum, PIN: 7311224
E-mail: [email protected]
Abstract:
The application of reverse micelles (RMs) both in fundamental and translational research is ever growing. In biological
applications, there is a particular need for biocompatibleformulations of RMs. In this work, we formulated such a RM with
water/sodium bis (2-ethylhexyl) sulfosuccinate (AOT)/Isopropyl myristate (IPM) that even exhibited enhancedstability and
much improved water uptake capacity with the addition of newly synthesizednontoxic ionic liquids (ILs). We added solute
amount of a protic, tetramethylguanidiniumsalicylate ([TMG][Sal]) and aprotic, cholinium salicylate ([CHO][Sal]) ionic liquids
(ILs) to compare the relative competence of two classes of ILs in such formulations. Our size andrheological measurements
show that protic IL based RM droplets are larger and moretemperature insensitive. While ATR-FTIR measurements indicated
localizations of the ILs at the water/headgroup interfaces, FTIR via D2O probing results show higher degree of [TMG]-
assisted water-surfactant interaction which also increased the bound water populations in confine environment. Our study
suggests that protic IL based RMs with tunable droplet size could be a promising template for various reverse micelle based
biological applications, and with expanding horizon of ILs this novel class of molecules.
165
OP-65
A Great Importance About Lead Free Relaxor Ferroelectric Ceramics with High Energy Storage Density
Mrinal K. Adak, DebasisDhak
Department of Chemistry, Sidho-Kanho-Birsha University, Purulia 723104, India
Email ID: [email protected]
In twenty first century, research on energy storage is a tremendous search in scientific community due to renewable
energy sources and energy storage solutions are two main keys in future global economy. Low cost, environmental friendly
with high energy conversion and storage efficiency system is needed for rapid development of electronic devices, vehicles
and also in pulsed power weapon systems. In this situation, lithium ion batteries, solid oxide fuel cells, flywheels,
electrochemical super capacitors, superconducting magnetic energy storage systems, dielectric capacitors are being paid
fantastic attention and research concern. Among different dielectric materials, relaxor ferroelectrics (RF) are giving high
recoverable energy density and due to this reason they are generally used in energy-storage materials. In this respect, lead-
free ferroelectrics are got importance and searchable due to environmental issues. Association of different radius metal ion
with RF can stimulate local electric fields and elastic fields that enable to break up long rang ordering and create local
heterogeneous structure in the form of PNRs (polar nano regions) or nanodomains which are accountable for relaxation.
Aurivillius type Bi-layered structured ceramics are much importance in these characteristics.
SrBi2Nb2O9, BaBi2Nb2O9 are important Aurivillus type ferroelectric materials. Transition metal (Co, Ni, Cu) doping at
‘A’ site of SrBi2Nb2O9, SrBi2NbTaO9, BaBi2Nb2O9, BaBi2NbTaO9are prepared using precursor solution decomposition method.
The synthesized ceramics are nanomaterilas and exhibit relaxor ferroelectric characteristics. Powder X-ray diffraction study
establish single-phase characteristics, Scanning and transmission electron microscope is used to determine surface
morphology. Dielectric characterization, impedance spectroscopy studies indicate the materials are relaxor characteristics. In
P-E hysteresis study, materials show energy storage characteristics. The energy storage density is increased with increasing
the applied electric field. Ba0.5Ni0.5Bi2Nb2O9, Ba0.5Co0.5Bi2Nb2O9showed energy efficiency higher than 83%. The ceramics also
exhibit high fatigue free behavior upto 105 switching cycles.
References:
[1] M. K. Adak, P.Dhak, A. Singh, S. Sen, D.Dhak, J. Mater. Sci.: Mater. Electron, 27(2) (2016) 1535-1546.
[2] M. K. Adak, A. Mukherjee, A. Chowdhury, U. K.Ghorai, D.Dhak, J. Alloys Compd, 740 (2018) 203-211.
[3] M. K. Adak, A. Mukherjee, A. Chowdhury, J.Khatun, D.Dhak, J. Indian Chem. Soc., 95 (2018) 1025-1028.
[4] M. K. Adak, D. Dhak, J. Indian Chem. Soc., 96 (2019) 1-6.
166
167
OP-67
N-Heterocyclic Carbene-catalyzed Stereoselective Homoenolate addition reaction to 3-Cyano-2-imino-2H-Chromene:
Synthesis of 2-amino-3-cyano-4H-chromenes
Pushpendra mani Shukla, Aditya Bhattacharya, Rahul Dwivedi and Biswajit Maji*
Department of Chemistry, Indira Gandhi National Tribal University
Amarkantak, M.P.-484887, India
Paper presenting author: [email protected]
Abstract:
“2-amino-4H-chromenes”are capable of interacting with various cellular targets which leads to their wide spread biological
activities such as antitumor, antihepatotoxic, antioxidant, anti-inflammatory, diuretic, anticoagulant, antiposmolytic, estrogenic,
antiviral, antifungal, antimicrobial, antihelminthic, hypothermal, vasodilatory, anti HIV, antitubercular,and analgesic.1 Recently,
2-amino-4H-chromene based mitogen-activiated protein kinase inhibitor (MK-2), tumor antagonist HA14-1 and anticancer
drug MX-58151 are prime examples (Scheme 1; Figure 1). Over the decades, the majority of the reactions for the synthesis of
2-amino-4H-chromene relied on either Michel-type reaction with 2-imino-3-cyano-2H-chromenes or domino reaction of in situ
generated o-quinomethides with active methylene compounds containing carbonitrile (-CN) functionality (Scheme 1A& 1B)2-3.
Our ongoing interest on NHC-catalyzed organic reactions4-5, herein, we have developed a NHC-catalyzed highly
diastereoselective homoenolate addition reaction between enaland 2-imino-3-cyano-2H-chromenes (Scheme 1C). The
details of optimization study, substrates scope, a plausible reaction mechanism including a preliminary enantioselective
version of this catalytic method will be presented.
O NH2
2-amino-4H-Chromenes
O
CN
NH2
OMe
MeO Br
Me2N
MX-58151 anticancer activity
O Ar
O
CN
NH2
antibacterial activity
O NH2
O
OEtBr
CNEtO
HA14-1
R
C
O NH
R
O
C Nucleophile
-CN, CH3NO2, active-
methylene compounds
Michael Addition
(Well-studied)
(Well-studied)
R1
O CN
R
NHC HomoenolateChemistry(This work)
O NH
R
(Figure 1)
Scheme 1A
Scheme 1B
(Scheme 1C)
Diastereoselective
Catechol as additive
R1 CHO
Enantioselective
Scheme 1Representative examples of 2-amino-4H-Chromene core with biological activities (Figure 1), synthetic strategies (Scheme 1A&1B) and Current work (Scheme 1C) References: [1]Ellis, G. P. In The Chemistry of Heterocyclic Compounds. Chromenes, Chromanes,and Chromones; Weissberger, A., Taylor, E. C., Eds.; John Wiley: New York,1977; pp 11–141. Chapter II. [2] Moafi, L.; Ahadi, S.; Bazgir, A.; TL, 2010, 6270-6274. [3[ Zhang, L,; Zhou, X.; Li, P.; Liu, Z; Liu, Y.; Sun, Y.; LI, W.; RSC Adv., 2017, 7, 39216. [4] Maji, B.; Asian Journal of Organic Chemistry, 2018, 7, 70-84. [5] Maji et al. Org. Chem. Front,2019, 6, 3523-3529.
168
OP-68
Design and Development of Tröger’s Base Functionalized Recyclable Porous Covalent Organic Polymer (COP) for
the Dye Adsorption from Water
Satyajit Saha,a Valmik P. Jejurkar,and Gauravi Yashwantrao
Dept. of Dyestuff Technology, Institute of Chemical Technology, Matunga,
Mumbai, Maharashtra-400019, India.
Corresponding author (Satyajit Saha) email: [email protected]
Abstract:
Protection of the environment from the uprising threats of pollution from several chemical industries in a sustainable way has
become the major global challenge. The colored effluents from the textile and dyestuff industries are the major sources of
pollution, contaminating the water bodies. Herein, we have synthesized a covalent organic polymer TBTPACOP having a V-
shaped Tröger’s base unit into the framework with the notion that the unique cleft like architecture of TB will infuse porosity
and robustness in the amorphous polymeric material. the covalent organic polymer (COP) was used for the adsorption of
anionic acid dyes from the aqueous effluent. The equilibrium adsorption capacity (qe) was found to be 188.96 mg/g. The
excellent dye adsorption capacity of the COP by adsorbing 95% of the acid dye (Acid Orange II) at room temperature within
70 mins, along with its recyclability up to four consecutive cycles, makes TBTPACOP an extremely promising material for
selective and efficient removal of acid dyes from the aqueous effluent.
Keywords: Tröger’s base, Dye removal, Covalent Organic Polymer
Reference:
1. Valmik P. Jejurkar,Gauravi Yashwantrao,and Satyajit SahaNew J. Chem. 2020, DOI: org/10.1039/D0NJ01735C
169
Contributory Papers
Poster Presentation (1-50)
170
PP-1
Assessment of drinking water quality of Ashoknagar District (M.P.)
Abhishek Sharma, Niraj Upadhyay*
Email id: [email protected] &[email protected]
Environmental Inorganic Chemistry Laboratory, Department of Chemistry, Dr. Harisingh Gour Vishwavidyalaya (A Central
University), Sagar (M.P) 470003, India
Abstract:
A large population of India is suffered by waterborne diseases (like diarrhoea, cholera, stone etc.) due to polluted/ inadequate
drinking water that indicate necessity of regular water quality assessment. The drinking water quality of Ashoknagar district
(Madhya Pradesh, India) is therefore assessed and summarized in this work by performing pre-monsoon and post monsoon
sampling (in the year 2019-20). The entire district was divided into 6×6 Km2 grids and 126 samples in each of the season
was collected and analysed for the parameters like pH, TDS, salinity, DO, EC, alkalinity, hardness, Ca2+, Mg2+, Cl-, SO42-,
PO43-, F-, NO3- etc. Though drinking water quality for a large number of samples was found safe (as per BIS standard), but
around 20% samples (used by a considerable part of the population) was found not suitable.
Key Words: Water quality parameters; drinking water; physicochemical parameters; Ashok Nagar District; BIS standards;
waterborne diseases.
171
PP-2
Colorimetric detection of Mn2+ using 1-Butyl-3-methylimidazolium octyl sulphate ionic
liquid capped Silver Nanoparticles
Akashdeep Sahu, Indrapal karbhal and Kallol K. Ghosh
School of Studies in Chemistry, Pt. Ravishankar Shukla University, Raipur (C.G.) 492010
Email: [email protected]
Abstract
1-Butyl-3-methylimidazolium octyl sulphate ionic liquid capped Silver nanoparticles (IL-AgNPs) probe have been
developed for the sensitive and selective detection of Mn2+ ions by using the colorimetric technique. The selective detection
has been performed by taking various metal ions such as Ba2+, Ca2+, Cd2+, Mg2+, Cu2+, Fe2+, Ni2+, Zn2+, and Mn2+ ions and
carried out under optimum conditions using UV-vis spectroscopy. It is found that IL-AgNPs was highly selective towards the
Mn2+ ion as a colorimetric probe and confirmed the aggregation behaviour of IL-AgNPs by appearing at a second peak around
550 nm, which is absent in the case of other metal ions. Moreover, the aggregation of IL-AgNPs also confirmed from yellow to
red colour change reflecting the Mn2+ ion induced aggregation of ILs capped AgNPs. It is no wonder that the interaction of
ions depends upon the Hard-Soft-Acid-Base (HSAB) theory and resulting in the aggregation behaviour is due to hard-hard
interaction of Mn2+ (hard acid) and oxygen atoms (hard base) presents in the ionic liquid. The synthesized ILs capped Ag NPs
probe is found to very highly sensitive and selective detection towards the Mn2+ ion with the detection limit of 1 µM under
optimized condition.
Keywords: Silver nanoparticles (AgNPs), Ionic liquids, Colorimetric detection, Metal ions, Maganese (II)
172
PP-3
Clinical approach towards the 21st centurypandemic Covid-19
Anwesha Bhattacharjee, Pathoja Maity, Souradipto Choudhuri, Suvroma Gupta*
Department of Biotechnology, Haldia Institute of Technology, Haldia, Purba Medinipur
Abstract:
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), a zoonotic virus, is the causative agent of Covid-19.
Exposure to SARS-CoV-2 results varyingly from asymptomatic infection to respiratory distress and death. The first case being
reported in Wuhan, Hubei, China in november '19, SARS-CoV-2 has spread globally and was declared a pandemic on March
11, 2020, by WHO. More than 15 million people globally have been infected with around 619000 deaths. This enveloped, (+)
single-stranded RNA virus with a glycoprotein spike on the surface makes receptor mediated binding and cell entry during
infection. The roles of the spike protein in receptor binding and membrane fusion make it an attractive vaccine antigen. Tests
generally being performed are, Antibody test, RT-PCR test, isothermal nucleic acid amplification test etc. Following detection
of Covid-19, various clinical measures are being prescribed. No licensed vaccines preventing Covid-19 is available till date.
However, World Health Organisation (WHO) keeps track on around 140 candidate vaccines, of which around two dozen are
in various phases of human clinical trials.mRNA vaccines are also showing promising results. Many biotech firms are now
conducting phase ll/lll human trials, specifically ChAdNOx1nCoV-19 developed by the University of Oxford is going to be
tested for phase III trial. The whole world is waiting earnestly for a successful vaccine, preventing Covid-19 giving relief to the
humankind.
173
PP-4
STUDIES ON CHEMICAL TOXICITY OF ALUMINIUM ON THE SEED GERMINATION OF GREEN GRAM (Phaseolus
aureus) UNDER DIFFERENT CHEMICAL MILIEU
T.V.R.K. RAO AND ARJUN KUMAR
Department of Chemistry, M.H.M. College, Sonbarsa-852129, (Bihar), India. *Corresponding author Email Id: [email protected]
Abstract:
Aluminium is the third most abundant element in the earth’s crust. It comprises of about 8% of the outer 16 kms of the crust. It
is highly reactive metal and hence does not occur free in nature. It occurs chiefly as oxides and aluminosilicates. Though
aluminium is one of the most abundant metals in the biosphere, it does not have any useful biological function. It has been
rather proved to be toxic to human body. Aluminium has been implicated as a potential neurotoxic factor in different
pathological conditions.
Though aluminium is well protected from its bioavailability in nature by the formation of stable complex aluminosilicates,
nevertheless, in case of disbalances in ecosystems, such as acid rain or a decrease in soil pH by industrial effluents and
consequent water pollution, there may be leaching of aluminium ions and their consequent entry into the flora and fauna
through the aquatic systems. This evidently would lead to onward transmission of aluminium ions in the food chains of the
ecosystems and hence create toxicity. Aluminium may enter into the body through food, water and air-borne dust particles.It
may also enter into the food through edible plants grown on aluminium intoxicated soils. Higher bioavailability of aluminium
might manifest as ecotoxicity in general.
With the foregoing views in our mind, we have presently studied the chemical toxicity of aluminium on the seed germination of
green gram (Phaseolus aureus) under different chemical milie.
In-vivo germination and morphogenic aspects of plants born out of the seeds of green gram (Phaseolus aureus) exposed to
different chemical milieu (viz., Al3+ , as well as , Al3+ mixed with different inorganic and organic anions viz., fluoride,
phosphate, borate, silicate, malate, tartrate, citrate, malonate or succinate), has been studied. Effect of inorganic and organic
anions on the percentage germination and morphogenic aspects of the plants germinated (in soil) out of intoxicated seeds
has been studied.
Aluminium intoxicated seeds expressed severe toxicity in germination and plant growth in soil culture. Only 10% germination
was seen as compared to that of 100% in the control (non-toxicated) set. Presence of different inorganic and organic anions
along with Al3+ in the intoxication of seeds, could not exhibit much difference in the seed germination and plant growth as
compared to that of Al- only intoxication, except malate ions. The malate had a good amelioration effect on Al toxicity. 70%
germination and good plant growth was exhibited by these intoxicated (Al3+ + malate) seeds. Thus, malate seems to be a
good ameliorator of aluminium toxicity.
Keywords: Aluminium toxicity, Aluminium phytotoxicity, Aluminium agrotoxicity.
174
PP-5
Microwave Assisted Green Synthesis of Palladium Nanoparticles Using Guar Gum (Cyamopsis tetragonolobus):
Catalytic and antioxidant studies
C. Tejasree, Amrutham SantoshiKumari, and Puppala Veerasomaiah
Department of Chemistry, University College of Science, Osmania University, Hyderabad, 500007, India
Abstract:
Microwave assisted green synthesis of palladium nanoparticles was carried out using guar gum as reducing and stabilizing
agent. The reaction mixture was containing aqueous H2PdCl4 and aqueous solution of Guar Gum. The characterizations of
microwave assisted green synthesis of palladium nanoparticles were done using UV-Vis spectroscopy, Fourier transform
infrared spectroscopy, X-ray diffraction and Transmission Electron Microscopy techniques. When exposed to microwave
irradiation resulted yellow colored solution turned black color and broad continuous absorption spectra in the UV–visible
region which indicates the formation of palladium nanoparticles. FTIR spectra inferred that both hydroxyl and carbonyl groups
of guar gum were involved in the reduction and stabilization of palladium nanoparticles. X-ray diffraction pattern evidently
proves that the Pd nanoparticles formed in the microwave assisted green synthesis were crystalline in nature. It is also
cleared from the TEM image that the palladium nanoparticles were spherical and highly dispersed and there is no
aggregation of them. The catalytic properties of microwave assisted Pd nanoparticles was demonstrated for reduction of 4-
nitrophenol to 4-aminophenol in water and the rate constant of the reaction is found to be 0.01076 min-1. Microwave assisted
green synthesized of palladium nanoparticles were showed moderate radical scavenging activity and IC 50 value was
80.18µg/ml.
Keywords: Microwave Assisted; Green Synthesis; Palladium Nanoparticles; Guar Gum;Catalytic and antioxidant.
175
PP-6
Active particles and diffusion
Debajyoti Debnath and Pulak K. Ghosh
Department of Chemistry, Presidency University, 86/1 College Street, Kolkata 700073, India
Email-id: [email protected]
Abstract:
Self-propelled Janus particles are a class of micro-sized particles which can move by extracting energy from their surrounding
suspension medium. They possess two distinct faces with different chemical or physical properties [1, 2]. Due to self-
propulsion, Janus particles can diffuse almost an order of magnitude faster than normal Brownian particles [3]. A Janus
particle can tow a passive cargo by binding it to form a self-propelling dimer. Hydrodynamics interaction determine thestable
position of the cargo relative to the axis of the active dimer’s head.Based on the Langevin description,[4] we proposed a
general model which can describe dynamics of any type of self-propelled Janus particles. We show both analytically and as
well asnumerically [4] that diffusivity of Janus particles strongly depend on the model parameters. Janus particle coupled to a
cargo exhibits optimal towing capability only in the puller and pusher configurations, whereas in all other configurations it
drives a chiral dynamics, which suppresses the motility of the swimmer-cargo system. Our results would be useful to
synthesize Janus particles with desire transport properties for application in nano-technology and medical sciences.
References:
[1] H-R. Jiang et al., PRL, 2010, 105, 268230-1 - 268230-4.
[2] W. F. Paxton et al., Angew. Chem., Int. Ed.2006,45, 5420-5429.
[3] G. Volpe et al.,, Soft Matter, 2011,7, 8810-8815.
[4] D.Debnathet. al., Soft Matter,2016, 12, 2017-2024
[5]D.Debnathet. al.,J.chem.phys,2016, 145,191103
176
PP-7
Curcuminoids as inhibitors of 3CLpro towards extermination of COVID-19
Dikshita Dowerah and Ramesh Ch. Deka*
Department of Chemical Sciences, Tezpur University, Tezpur, Assam - 784028, India.
Email: [email protected]
Abstract :
Density functional theory method combined with molecular docking has been used to understand interaction of curcuminoids
namely curcumin, demethoxycurcumin and bisdemethoxycurcumin with the main protease (3CLpro) of the novel corona virus
(SARS-COV-2). Analysis of the docking results revealed that all the three curcuminoids actively bind to the catalytic binding
domain of 3CLpro and this binding mode is further stabilized by the presence of additional hydrogen bonds exhibiting better
docking scores compared to the recently repurposed drugs Hydroxychloroquine, Chloroquine, Favipirapir etc. According to
the DFT results, bisdemethoxycurcumin was expected to have the highest chemical reactivity. When correlated with the
docking results, it was observed that bisdemethoxycurcumin in complex with 3CLpro gave the best docked score with the
highest number of H-bond interactions. A common trend observed in the results is that all the three curcuminoids formed H-
bond interactions with the same four amino acid residues Leu141, Gly143, Ser144 and Gln192 and sharing the same mode of
H-bond interaction i.e. interacting via the hydroxyl groups present on the aryl rings of the curcuminoids. However, all the three
curcuminoids underwent a conformational change from their typical linear to non-linear conformation thereby adjusting itself
at the substrate-binding pocket of 3CLpro. This study would help us to understand the ligand type properties of the
curcuminoids which can be further modified into better ligands on demand.
177
PP-8
Kinetics and mechanism of the oxidation of furfural by benzimidazolium dichromate
Reena Kalal and Dinesh Panday*
Department of Chemistry, M. L.S. University, Udaipur-313001, Rajasthan,India
Email: [email protected]
Abstract:
The oxidation of furfural (2-furaldehyde), bybenzimidazoliumdichromate (BIDC) in dimethyl sulfoxide, leads to the formation of
2-furancarboxylic acid. The reaction is first order with respect to BIDC and hydrogen-ion. However, Michaelis-Menten type
kinetics was observed with respect to furfural. The formation constants of furfural-BIDC complexes and the rates of their
decomposition have been evaluated at different temperatures. Thermodynamic parameters of the complex formation and
activation parameters for the decomposition of the complexes have been calculated. The deuterium isotope effect observed
in the oxidation of glycolic acid (kH/kD= 6.23 at 298 K)indicated an α-C-H bond cleavage in the rate-determiningstep. The
reaction has been studied in 19organic solvents. The analysis of the solvent effect showed that therole of cation-solvation is
major.Based on the kinetic data, analysis of the solvent effect and the result ofsome non-kinetic parameters, a mechanism
involving rate-determining oxidative decomposition of the complex, through hydride-ion transfer via a cyclic transition state, to
give the corresponding product is suggested.
Overall reaction:
3 CHO+ 2Cr2O7-2 + 22H+→3 COOH + 2Cr+6+ 2Cr+3+ 11H2O
O O
(2-furaldehyde) (2-furoic acid)
References
1. Q. H. Meng,J. C. Feng, N. S. Bian, B. Leu and C. C. Li , Synth. Commun.
1998, 28, 1097.
2. R. Kumar, D. Pandey and S. Kothari, Oxid. Commun., 2014,37, 424
3. H. Saunte,G.S.Chaubey and M.K. Mahanti,Croat. Chem. Acta., 2010, 83, 291.
178
PP-9
Solvent - free condition Ionic - liquid - catalyzed green synthesis of
substituted (morpholinomethyl) -2H-chromen-2-one
Jagadeesh Kumar Ega1*, Kumara Swamy Jella2
1*Department of Chemistry, Chaitanya Deemed to be University, Hanamkonda, Telangana state.
2Department of Chemistry, R.D PG College, Hanamkonda, Telangana [email protected]
Abstract:
A mixture of Phenols (1a-d), Malonic acid (0.5 mol) (2), Bronsted acidic ionic liquids (3) by Pechmann condensation at room
temperature to yield 4- hydroxyl-2H- chromen-2-one (4) by means of protocols under green conditions from step-1. 5,8-
Dimethyl-4-hydroxycoumarin, secondary amine (6) , formaldehyde (7) and Bronsted basic ionic liquids (5) were added under
oil bath about 80 0C followed by crude solid was collected by filtration. The obtained solid 4- hydroxyl-3- (morpholinomethyl)-
2H- chromen-2-one (8a-d) via one pot three component reaction under solvent free conditions in good to excellent yields. The
catalysts are eco-friendly and easily prepared, stored and recovered without loss of activity shown in Scheme-1.
Keywords— Chromens, Ionic Liquids, Solvent free condition, Pechmann condensation.
179
PP-10
A Short Review on Mining Activities Considering Sustainability and National Growth
Dr. Suparna Rana*
School of Applied Science and Humanities, Haldia Institute of Technology, Haldia, Purba Medinipur, 721657, WB.
E-mail: [email protected]
Dr. Kalyan Kumar Rana*
Department of Chemistry, Tamralipta Mahavidyalaya, Tamluk, Purba Medinipur, 721636, WB.
E-mail: [email protected]
Abstract:
Mining plays a vital role in national economic development and on the contrary, mining undesirably impact our environment.
The environmental problems caused by mining activities are land degradation, disposal of mining, deforestation, washing
discards, water pollution, discharge of mine water, acid mine drainage, coal washing operation, air pollution due to release of
gases and dust, noise pollution, mine fires, damage to forest flora and fauna, wildlife habitat destruction and occupational
health hazards. The impact of mining on surface and groundwater are due to spill erosion, sedimentation, acid mine drainage,
lowering of water table, subsidence, disturbance on hydrological cycle and rainfall.The environmental and health impacts of
mining on surrounding communities has been a major concern to governments, the general public and stakeholder
organizations and individuals. Through every phase of the mining activity, extensive man-made damage is caused to the
environment. It is, therefore, very important to consider the social impacts of mining activities on the surrounding socio-
economic environment, affected marginalised individuals and communities. Of course, the impacts of mining are many,
sometimes unavoidable, but rather, possible to mitigate with appropriate regulation, enforcement and planning, imposing
accountability for local environmental and health quality, so that mining industry can turn out to be a sustainable one. For any
plan to be effective, people from nearby communities must be involved in all decision-making. A responsible plan should
include:
• an Environmental Impact Assessment (EIA) carried out with the participation of the nearby communities.
• social services such as health clinics and schools, safe drinking water, sanitation and other necessary facilities.
• long-term, comprehensive health care for miners, their families and effected communities.
• a plan for closing mines, restoring land, providing job training and safe, sustainable work for the jobless workers of the
mines.
180
PP-11
ANTI-DIABETIC ACTIVITY OF SOME HETEROCYCLIC COMPOUNDS: A REVIEW
Nirupma Singh
Associate Professor, Malla Reddy College of Engineering and Technology, Dhulapally, Hyderabad, Telangana 500014.E-
mail: [email protected]
Abstract:
Diabetes is a metabolic disorder resulting from a defect in insulin secretion, insulin action, or both. Insulin deficiency in turn
leads to chronic hyperglycaemia with disturbances of carbohydrate, fat and protein metabolism. As the disease progresses
tissue or vascular damage ensues leading to severe post-diabetic complications such as retinopathy, neuropathy,
nephropathy, cardiovascular complications, and ulceration. Thus, diabetes leads to wide range of heterogeneous diseases. In
1980, WHO proposed two major classes of diabetes mellitus and named them Type-1 and Type-2 diabetes. Since last two
decades, majority of pharmaceutical companies and various leading research institutions are intensely researching for novel
and effective, Type-2 Anti-diabetic drug substance. As a result numbers of anti-hypoglycaemic agents are available in market
with different chemical class like Sulfonylureas (Glimepiride), Méglitinides (Natéglinide), Biguanides (Metformine), 2,4-
thiazolidinedione (Pioglitazone), Alpha-glucosidases inhibitors (Voglibose), Dipeptidyl- peptidase-4 (DPP-4) inhibitors
(Sitagliptin), Glucagon-like peptide-1 (GLP-1) agonist (Liraglutide), and most recent one is Sodium glucose co-transporter 2
inhibitors (SGLT2) (Canaglifozine).
181
PP-12
Theoretical study on the adsorption of NO and O2 on bimetallic AunPt3-n (n=0-3) trimer for understanding the catalytic oxidation of NO
Nishant Biswakarma and Ramesh Chandra Deka
Department of Chemical Sciences, Tezpur University, Tezpur, Assam - 784 028, India
Email: [email protected]
Abstract
Oxides of Nitrogen such as NO, NO2 and N2O are the primary source of air pollution, produced due to the incomplete
combustion of the fossil fuels. Among these, escalation of Nitrogen monoxide (NO) in the atmosphere causes major
environmental problems. In various approaches such as three way catalysis (TWC), NOx storage reduction (NSR) and
Selective catalytic reduction (SCR), the oxidation of NO to NO2 is considered to be the most important step for abatement of
NOx. Therefore, it is essential to prepare or design a suitable catalytic system to understand the oxidation of NO into NO2 at
the molecular level. A comprehensive study on the adsorption of NO and O2 has been done on bimetallic AunPt3-n (n=0-3)
trimer using Density Functional Theory (DFT). M06L functional along with def2QZVPP basis set has been chosen to predict
the correct stability order. Binding energies has been calculated to understand the stability of the adsorbed species. Among
the trimers, Au3 has the least binding energy whereas AuPt2 has the best binding energy for both NO and O2. Our calculations
show that Pt-sites are found to be the preferred site for adsorption than Au-site.
182
PP-13
1-Napthol-4-Sulfonate Functionalized Citrate Stabilized Silver Nanoparticles for
Fluorescent Turn-off/on Sensing of Aliphatic Polyamines
Nishithendu Bikash Nandi, Shaktibrata Roy, Subanti Das, Tarun Kumar Misra*
Department of Chemistry, National Institute of Technology Agartala, Agartala, Tripura 799046, India
E-mail: [email protected]/[email protected]
Abstract:
Development of nanosensor probe for recognition of aliphatic polyamines (PAs) in aqueous solution is highly challenging due
to lack of chromophoric or fluorophoric groups.1-3 In the presentwork, 1-naphthol-4-sulfonic (1Np4S) acid functionalized citrate
stabilized spherical silver nanoparticle (cit-SNPs, d = 6.3 nm, σ = 1.23) were synthesized. Emphasis is placed on surface
Plasmon resonance band in the UV-vis region of functionalised cit-SNPs.1Nap4S is a fluorescent active species as it shows
an emission peak (λem) at 434 nm. However, when 1Np4S species get adsorbed onto the surfaces of cit-SNPs, their
fluorescence activity is quenched by the particles. It is evident as the adsorption constant (Kad) of 1Np4S is quite high ranging,
6.23 x108 M-1 - 16.47 x108 M-1.Such functionalized cit-SNPs were then used as nanoprobe for spectrofluorometric sensing of
polyamines: ethylenediamine (EDA) and diethylenetriamine (DETA), as mimic of biogenic amines (BGAs). The calibration
curves of EDA and DETA are straight lines with concentration ranges, (5.9 mM – 52.1 mM) and (3.9 mM – 50.6 mM),
respectively. The result indicates that the sensitivity of evaluating DETA is higher than that of EDA.Thus, the 1Np4S
functionalized cit-SNPs could be treated as potential nanoprobe for evaluating PAs as well as BGAs.
Fig.1. (A,B) Excitation and Emission spectral changes during functionalization of cit-SNPs with 1Np4S; (B,C) Emission
spectral changes of 1Np4S-cit-SNPs in the presence of EDA and DETA
References
1. B. Paz-Pino, C. Pérez-Lamela, B. Cancho-Grande, J. Simal-Gándara, Food Addit Contam., 2003, 20, 308–312.
2. K. Saito, M. Horie, N. Nose, K. Nakagomi and H. Nakazawa, Anal. Sci., 1992, 8, 675–680.
3. F. Crea, A. De Robertis and S. Sammartano, J Chromatogr. Sci., 2007, 43, 342-347.
OH
SO3H
1
2
3
45
6
7
89
10
1-Naphthol-4-sulfonic acid (1Np4S)
183
PP-14
Coordination Chemistry of Click Derived 1,2,3-Triazolyl Ligand
Dr. Pampa Guha
Department of Chemistry, City College, 102/1, Raja Rammohan Sarani, Kolkata,
West Bengal 700009, India
Abstract:
Cu(II) salt catalysed azide-alkyne cycloaddition (CuAAC) reaction, (Click chemistry) provides heterocyclic 1,4-disubstituted-
1,2,3-triazole ligand which contain various nitrogen-based Lewis basic sites and can coordinate to metal salts ensuing
interesting complexes. A mechanistic model will be discussed to account for the high reactivity of chelating azides (organic
azides capable of chelation-assisted metal coordination at the alkylated azido nitrogen position) and copper(II) acetate in
such cycloaddition (AAC) reactions. The versatility of 1,2,3-triazolyl-containing polyaza ligands in forming metal coordination
complexes of a rich structural diversity and interesting magnetic properties will also be demonstrated.
Reference –
1. Guha, P. M.; Phan, H.,. Kinyon, J. S; Brotherton, W. S.; Sreenath; K.; Simmons, J. T.; Wang, Z.; Clark, R. J.; Dalal, N. S.;
Shatruk, M. and Zhu, L. Inorg. Chem. 2012, 51, 3465−3477
2. Kuang, G.-C.; Guha, P. M.; Brotherton, W. S.; Simmons, J. T.; Stankee, L. A.; Nguyen, B. T.; Clark, R. J.; Zhu, L. J. Am.
Chem. Soc. 2011, 133, 13984−14001.
184
PP-15
Kinetic and Mechanistic Studies on Pt(II) and Pd(II) Complexes with Bio-active
Ligands at Physiological pH
Parnajyoti Karmakar
Department of Chemistry, GGDC at Kalna-I, Purba Bardhaman - 713405, West Bengal, India
Email: [email protected]
Abstract
The kinetics of complex formation reactions of [Pt(bipy)(X-X)] (bipy = 2,2´-bipyridine) and [Pd(dap)(X-X)] (dap = 1,3-
diaminopropane) complexes with different ‘S’ containing chelating nucleophiles have been studied. The effect of the
nucleophilicity of the ligands on the above mentioned complexes were studied under pseudo-first-order conditions as a
function of nucleophile concentration, and temperature using stopped-flow technique. Two consecutive reaction steps, of
which the initial step depends on the nucleophile concentration, followed by a ligand concentration independent chelate ring
closure step were observed. The mechanism of the substitution reactions is associative in nature as supported by the large
and negative values of ∆S≠.The products of the reactions have been ascertained by IR and ESI-mass spectroscopic
analyses. The relative reactivity order of different probable Pd(II)/Pt(II)-amine antitumour complexes towards bio-active
nucleophiles, have been discussed.
Keywords: Kinetics; Mechanism; Associative; Pt(II); Pd(II); Bioactive
185
PP-16
Synthesis, characterisation of a pyridinyl thiazole ligand with hydrazone moiety and its cobalt(III), manganese(II) and
nickel(II) complexes: In vitro anticancer and molecular docking study
Pradip Beraa†, ChandanaPramanika‡, Basudev Mandala§and Pulakesh Bera*a
aPost Graduate Department of Chemistry, Panskura Banamali College (Vidyasagar University), Panskura R.S, Midnapore
(East), West Bengal, India–721152. Email: [email protected]
Abstract:
The ligand 4-(4-methoxy phenyl)-2-(2-(1-pyridine-2-yl)ethylidene) hydrazinyl)thiazole bromide (pytH·Br) and its cobalt(II),
manganese(II) and nickel(II) complexes have been synthesized and characterized through single X-ray crystallography and
spectroscopy. The physic-chemical analyses of the complexes confirmed the composition [Co(pyt)2]ClO4 (1),
[Mn(pyt)2](ClO4)2 (2) and [Ni(pyt)2](ClO4)2 (3) for cobalt, manganese and nickel respectively. The pytH·Br crystallizes in a
space group Pbca in a nearly planar structure and the crystal structures of complexes have octahedral geometry with space
group C2/c for 1 and 2 and P-1 for 3. The ligand pytH·Br behaves as neutral N,N,N tridentate donor. Solution magnetic
susceptibility measurement of 1 by modified
Evan’s method confirms the low spin
diamagnetic nature of the cobalt (III) complex.
New compounds are screened for their
anticancer studies against U-937 human
monocytic cells shows IC50 values 4.374 (for
pytH.Br), 5.583 (for 1), 0.3976 (for 2) and
11.63 µM (for 3). Based on the result of LDH
and PARP cleavage assay, the compound
pytH.Br, 1 and 2 follow the apoptosis mode of
cell death at equivalent concentration of IC50.
Free binding energy of the compounds with
DNA is evaluated from docking study. The
docking result shows that the compounds are
groove binder with DNA base pair.
186
PP-17
Chiral Induction on the Ultrafast Event of Excited State Proton Transfer Can Probe Its Mechanism
Pratyush Ghosh, Aritra Das and Pratik Sen*
Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur – 208 016, UP, India
E-mail: [email protected] (PG); [email protected] (PS)
Abstract:
When protonic motion is explained as a purely quantum mechanical phenomenon, two extreme situations can be visualized
as either the adiabatic or the nonadiabatic limit of proton transfer (PT). Strong orbital coupling between the donor and the
acceptor pair in the proton transfer step drives PT mechanism in the adiabatic limit whereas in nonadiabatic limit PT
predominantly occurs through tunneling. We propose a unique way to experimentally observe the adiabaticity of PT by
inducing chirality in the reaction coordinate of excited state proton transfer (ESPT). We successfully established the existence
of prominent role of diastereomerism in the ESPT by both steady state and femtosecond time-resolved transient absorption
spectroscopic measurements in the adiabatic limit of proton transfer processes.
Reference:
[1] P. Ghosh, A. Das, P. Sen, ChemistrySelect 2019, 4, 12197– 12201
[2] C. Borgis, T. Hynes, Chem. Phys. Lett. 1989, 162, 19–26
187
PP-18
EVALUATION OF WATER QUALITY AND TRACES ELEMENT OF OPENING CAST STONE CHIPS MINES
Baby Mandal1 ([email protected])
Dr. C.S.Azad2 1. Research Scholar SKMU DUMKA
2. Assistant professor Dept. of Chemistry Deoghar College, Deoghar Jharkhand India. ABSTRACT Present study is focused on the assessment of water quality and trace of element of open cast stone chips mines of
Maheshpur, and Amarapara block of Pakur district, Jharkhand India. Pakur district is famous for its black stones. Mining is
done by open cast and there is huge deposition of water in these mines. Open cast mines water is used by the nearby people
for various purposes. These mines water many contain various types of impurities in its due to dust and drainage which
contains many suspended pollutants with inorganic and organic residue with several toxic, heavy metal ions. The main
objective is to assess the quality of water and reduce to impurity level. Samples were collected from these open cast mines in
three different samples for two consecutive years in 2017 and 2018. The water samples were analysed for different
parameter as per standard procedure analysed data shows that there are some impurities present in it, and this water can’t
be used for drinking purposes but can be used for irrigation and other domestic purposes.
188
PP-19
Theoretical study of CO2 adsorption in a polymeric polyimide membrane using
molecular dynamics simulation
Dr. Projesh Kumar Roy
Department of Physics, Indian Institute of Science, Bangalore
Abstract:
Polymeric polyimide membranes are widely accepted as good alternatives for CO2 adsorption from fluegas, as the process is
easy to handle and environmentally friendly. Carbon Molecular Sieve (CMS) membranes are obtained via pyrolysis of such
polymeric membranes, which also show high solubility, permeability, and selectivity towards CO2 molecules [1]. In the case of
6FDA/BPDA-DAM polymer membrane, the cause of high perm-selectivity towards CO2 is attributed to a rich distribution of
ultramicropores and micropores. To understand the underlying statistics of the pores and their effects on the CO2 adsorption
process, an all-atom Dreiding [2] based force-field is prepared to model this polymer. The force-field is parameterized with the
help of dihedral scans. A compression-decompression step, followed by repeated annealing steps are performed using
molecular dynamics methods, to obtain the +optimum density at room temperature and pressure. The glass transition
temperature and porosity of the polymer are also calculated, which matched well with the experimental values. The atomistic
distribution along the wall of the pores is calculated using an analytical free-volume calculation method[3].The pore-size
distribution is also calculated, which showed a bi-modal distribution. The solubility of the CO2 molecules inside the polymer
matrix is calculated using grand canonical Monte Carlo methods, which showed a high affinity towards CO2 molecules. The
swelling effects are also studied using a coupled NPT/NVT method in LAMMPS [4].
References:
[1] K. M. Steel, W. J. Koros, Carbon 43 (2005) 1843 – 1856
[2] S. L. Mayo, B. D. Olafson, W. A. Goddard, The Journal of Physical Chemistry 94 (1990) 8897–
8909
[3] G. Zamanakos, 2002. PhD Thesis, California Institute of Technology, Pasadena, California.
[4] P. K. Roy et al., Journal of Membrane Science 613 (2020) 118377.
189
PP-20
Fluoride decontamination using hybrid materials
S.K.Swain1, Tanushree Patnaik2, R.K.Dey3
Sandhya Sayantini Mohantyc, S. P. Nandad, P. C. Patnaike, R.K. Deyb,f*
1Central Instrumentation Facilities, Birla Institute of Technology, Ranchi-835 215, India
2Department of Chemistry, Stewart Science College, Cuttack-753 001, Odisha, India
3Department of Chemistry, Central University of Jharkhand, Ranchi-835 205, India
ABSTRACT
Presence of excess fluoride in drinking water is responsible for various fluoride related diseases in community. The WHO
prescribed limit for fluoride in drinking water is 1.5 mg L-1. Ground water contributes nearly 80% of the drinking water
requirement all over the world. Different processes as well as materials have been developed for removal of fluoride from
drinking water/water bodies. The major techniques/methods include chemical reaction, adsorption, osmosis, and ion-
exchange among which adsorption is the operationally most simple, cost effective and sustainable for use among community.
Although a number of adsorbents with appreciable defluoridating capacity have been developed by various researchers/group
of researchers, only a few are successful at implementation level due to various reasons[1,2]. The present investigation
reports the decontamination of fluoride using polymeric blends of mixed oxide [Fe(III)-Zr(IV), Al(III)-Ce(IV) and Al(III)-La(III)] –
alginate. The material properties were studied using various instrumentation techniques. The fluoride removal properties were
evaluated in a batch adsorption technique. The positive value of ∆Ho indicates increasing randomness during the sorption
process. The Al(III) – Ln(III) could able to show better adsorption characteristics where nearly 97% of fluoride could be
removed at pH 7.0. In almost all the cases, desorption of fluoride is quite efficient with at pH 12.0 (nearly 88% of material
could be easily desorbed by using 1% NaOH solution) Reuse capacity of all materials were appreciable (observe decrease
97% to 60% nearly in 7th cycle of operation) that supports the further development of material for commercial application and
a comparative aspect was also drawn with available commercial adsorbents.
Key words: Defluoridation, Adsorption isotherms, Hybrid material, Kinetic models.
*Corresponding author: [email protected]
References:
[1]. A. Bhatnagar, E. Kumar, M. Sillanpaa, Fluoride removal from water by adsorption – a review, Chem. Engg. J., 171 (2011)
811- 840.
[2]. N. Viswanathan, S. Meenakshi, Selective fluoride adsorption by a hydrotalcite/chitosan composite, Appl. Clay Sci., 48
(2010) 607 – 611.
190
PP-21
Effect of various Metal Ions on Photocatalytic Degradation of Reactive Blue-19 by TiO2 Nanoparticles
Rakhi goyal1, D kishore2
Abstract:
Present study deals with the photocatalytic degradation of Reactive Blue-19 dye in presence of TiO2 nanoparticles. The
photocatalytic activity investigation has been carried out by performing the decomposition of Reactive Blue-19 dye under UV
illumination over as- synthesized TiO2 Nanoparticles. In this work the progress of the reaction has been studied kinetically by
measuring absorbance of the reaction mixture at various time intervals using Spectrophotometer. The control experiments
have also been performed in different conditions. Control experiments confirm the necessity of light, semiconductor catalyst
and oxygen to follow the photocatalytic path to proceed the photobleaching of dye. Kinetic analysis of degradation indicates
that the degradation follows the first order kinetics. Effect of various metal ions (Zn+2, Fe+2, Cu +2) has also been studied.
result ravels that addition of various metal ions reduce the photocatalytic efficiency of the Reactive Blue-19dye.
Keywords: Photocatalytic degradation, Reactive Blue-19, TiO2 Nanoparticles
191
PP-22
Boron Doped Graphene Quantum Dots for Bio-sensing of Acetylcholine Esterase Enzyme Inhibition.
Reena Suryawanshi*
*School of Studies in Chemistry, Pt. Ravishankar Shukla University, Raipur-492010
E-mail: [email protected]
Abstract:
Doping graphene quantum dots (GQDs) with heteroatom have received tremendous attention due to optical properties and
stable photoluminescence over the conventional quantum dots. Herein, we report a facile bottom up method for synthesis of
boron doped graphene quantum dots (BGQDs). The characterization of BGQDs were done by UV-Vis, fluorescence and
FTIR spectroscopic techniques. The synthesized BGQDs possess enhanced fluorescence. The stable fluorescence of
BGQDs indicates that they can be used as biosensor for clinical and medical studies for imaging, sensing and detection. FTIR
spectra show presence of different functional group and effective doping of boron on the surface of GQDs. BGQDs shows
remarkable physicochemical, electronic properties and photoluminescence. The effect of pH has also been studied which
suggested that on increasing pH the particle size distribution also increases.
192
PP-23
INOVATIVE DEVLOPMENT IN CHEMISTRY & METERIAL SCIENCES
Sayantani Barma
B.Sc. in Chemistry, Second Year (4th semester), Acharya Prafulla Chandra Roy Government College, Siliguri,
Email: [email protected]
Abstract:-
Physics might show us the universe’s basic to build the blocks, Biology is the universes of science that studies life & living,
but Chemistry is where all the fun happens in between. We have come across thousand of reactions which are happening in
every second from stars to human spines, from gold to germs, but it’s the ones we’ve mastered with our hands, in labs,
factories even in our daily kitchens, what we are today. Advances in inorganic chemistry presents timely and informative
summaries of recent progress from bioinorganic to solid state, recently they develop from theoretical oriented supramolecular
chemistry to the quest for accurate calculations of spin states in transition metal. The organic chemistry researches involve
the synthesis of various organic molecules, organometallic chemistry, catalysis, synthesis of reactions, mechanisms of
fundamental studies, non-natural products with biological properties, and spectroscopy of compounds designs of drugs etc.
Nowadays the material science is an interdisciplinary field involving matter & its application to science and engineering mostly
our real world to its properties with natural science phenomena from micro to macro. The scientists gave support of the
experiment of the material which submitted by chemists like ceramics, polymers, synthesis, daily uses of devices.
193
PP-24
The Forbidden Radiative Transition with ∆� = ±�
Shampa Bhattacharyyaa* & Dilip K. Bhattacharyyab
aDepartment of Chemistry, Hansraj College, University of Delhi
bDepartment of Chemistry, Jadavpur University, Calcutta, India
e-mail: [email protected]
Abstract
A theoretical calculation is performed to find the transition probabilities per unit time hence lifetime for spin forbidden radiative
transition. The spin forbidden radiative process can further be divided into two categories: 1. Symmetry allowed but spin
forbidden (g→u) or u→g) 2. Symmetry as well as spin both forbidden (u→u and g→ g). Theoperators are used for both the
categories are spin dependent electric and magnetic multipole operators. The spin dependent electric dipole (SE1) and
magnetic quadrupole (SM2) operators connect the two states with different symmetry i.e. (u→g or g→u) and S→T. On the
other hand spin dependent electric quadrupole (SE2) , magnetic dipole (SM1) operators connect two states with same
symmetry i.e.(u→u and ,g→ g) and S→T. Operators are expressed as tensor operators and transition probabilities are
calculated by using Racah algebra. The expression for transition probability between initial state (i) and final state (f) is given
below:
� →"# = $$( &'2Пħ)
"+ ,-./⟨1"|3(45, 7)|18⟩|�
:
Both the wave functions are written according to Born-Oppenheimer approximation as a product of vibrational and coupled
electronic- rotational and spin wave functions. The operator is converted from space fixed to molecular fixed by an inverse
rotational transformation to have both of them in molecular fixed frame work.
194
PP-25
Molecular Hydrogen adsorption on metal ion-decorated Sulflower
Soumadip Banerjee
Senior Research Fellow (School of Mathematical and Computational Sciences; IACS-Kolkata)
Email: [email protected]; [email protected]
Abstract:
The non-renewable nature of fossil fuels has ignited the quest of sustainable energy resources. Hydrogen contains highest
energy density per unit mass and produces non-pollutant byproducts during oxidation, making it a clean fuel but problem lies
in its safe storage. Surface based hydrogen storage materials have favorable surface area, adsorption enthalpy for fruitful
adsorption. It has been seen that dopants can enhance the range of interaction between Hydrogen molecules with the
surface. In the present work, we have computationally explored the possibility of molecular hydrogen adsorption on metal ion-
decorated “First Generation” Sulflower, a polycyclic hydrocarbon, using DFT/ω-B97XD method and 6-311++G(d,p) basis. The
central ring is doped by a single di-positive ion followed by two di-positive metal ions on the peripheral thiophene rings (same
face as well as opposite face). Between the single ion-decorated systems, Mg2+-decked complex bind four H2 molecules
where its Be2+ counterpart can bind six. Each of the double-ion-decorated
systems is found to adsorb ten H2 molecules. The charge transfer interaction
influences the binding energies of the H2 molecules to the charged complexes.
Be2+-decked systems have been emerged as the best candidate for reversible
hydrogen storage due to its optimal binding energy and maximum hydrogen
binding ability. Our belief is to motivate future researchers in developing efficient
hydrogen storage materials.
References:
• S. J. Kolmann, B. Chan and M. J. T. Jordan, Chemical Physics Letters, 2008, 467, 126–130
• K. Srinivasu, K. R. S. Chandrakumar and S. K. Ghosh, ChemPhysChem, 2008, 10, 5832-5839.
• T. Banu, D.Ghosh, T. Debnath, K. Sen and A. K. Das, RSC Advances, 2015, 5, 57647-57656.
• Chernichenko, K. Y.; Sumerin, V. V.; Shpanchenko, R. V.;Balenkova, E. S.;Nenajdenko, V. G, Angewandte Chemie.
Int.Ed.,2006, 45, 7367-7370
• Datta, A.; Pati, S. K. Journal of the American Chemical Society, 2007,111, 4487-4490
195
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IonicLiquid-Functionalized Silver Nanoparticle for Spectrophotometric Determination of L-Cysteine in Milk Samples
Sushama Sahuaand Kallol K. Ghosha*
aSchool of Studies in Chemistry, Pt. Ravishankar Shukla University, Raipur-492010, C.G.
Abstract:
A simple and selective colorimetric method based on ionic liquid functionalized silvernanoparticles (ILs-AgNPs) has been
established for selective determination of L-cysteine (Cys) in milksamples. The NPs was directly synthesized by simple co-
reduction method and functionalization was carried out to prevent self-induced aggregation of particles. The ILs-AgNPs has
been characterized by UV-Vis, fourier transform infra-red (FT-IR), transmission electron microscope (TEM) and dynamic light
scattering (DLS) techniques. The binding and significant thermodynamic parameters for interaction of ILs-AgNPs with Cys
have also been investigated at the temperature of 295, 298 and 305 K using UV-Vis. The result shows that Cys could interact
strongly with ILs-AgNPs at relatively higher temperature.In addition, the developedILs-AgNPs based colorimetric sensor was
used to test the Cys in milk samples collected from different sources. The linearity range of Cys was obtained as 10-100 ng
mL-1 with lower limit of detection (S/N = 3) of4.72 ng mL-1.
196
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Mechanistic Insight into the Enhancement of Reactivity of Li+@C60 Compared to Neutral C60 towards Different
Fundamental Reactions: A DFT Approach
Dr. Tanay Debnath
Research Associate, Indian Association for the Cultivation of Science,
Jadavpur, Kol-700032, [email protected]
Abstract
Ih fullerene has two types of unsaturated bonds generated from the fusion of two types of rings; one is formed through two six
memberred fused rings, designated as 6-6_double bond and another is formed through six and five memberred fused rings,
designated as 6-5_double bond. From our theoretical study, it is revealed that the reactivity of the aforesaid double bonds
differ from each other. Further we have also confirmed that encapsulation of Li+ perturb the reactivity of both the double
bonds. We have computationally explored three fundamental reactions: Hydrogenation (reagent: NH3BH3), hydrolysis
(reagent: double water) and Diels-Alder (reagent: butadiene) and in each case we have observed that 6-6_double bond is
more reactive that that of 6-5_double bond. On encapsulation of Li+ inside the fullerene cavity the barrier heights of the
aforementioned reactions significantly decrease indicating the increment of the feasibility of the reactions. We have found that
encapsulation of Li+ inside C60 cavity decreases the HOMO-LUMO gap significantly, which is probably one of the principle
reasons for the enhancement of the reactivity of the Li+@C60 compared to neutral C60.
Reference:
1. Mechanistic insight into the enhancement of reactivity of C60+ in comparison with neutral C60 and EMFs towards different
fundamental reactions: a DFT approach
197
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Iron Complexes anchored onto Magnetically Separable Graphene Oxide Sheets: An Excellent Catalyst for the
Synthesis of Dihydroquinazoline-Based Compounds
Tanmay Chattopadhyay
Assistant Professor
Department of Chemistry, Diamond Harbour Women’s University, Diamond Harbour Road,
Sarisha, South 24 Pgs, 743368
E-mail:[email protected] (T.C)
ABSTRACT
In this work a green, sustainable and efficient protocol for the syntheses of dihydroquinazoline derivatives is proposed. Three
Schiff base complexes of iron containing the ligand (2,2-dimethylpropane-1,3
diyl)bis(azanylylidene))bis(methanylylidene))bis(2,4-Xphenol), where X= Cl (complex 1) / Br (complex 2) / I (complex 3) were
synthesized, characterized and used in the desired syntheses. Complex 1 excelled as a catalyst closely followed by
complexes 2 and 3. DFT calculations helped in rationalising the role of halide substituent in the ligand backbone as a relevant
factor in the catalytic superiority of complex 1 over complexes 2 and 3 for the synthesis of the dihydroquinazoline derivatives.
Finally, to facilitate catalyst recoverability and reusability, complex 1 was immobilized on GO@Fe3O4@APTES (GO =
Graphene Oxide; APTES = 3-aminopropyltriethoxysilane) to generate GO@Fe3O4@APTES@FeL1 (GOTESFe). GOTESFe
was thoroughly characterized through different techniques, and efficiently used for the synthesis of dihydroquinazoline
derivatives. GOTESFe could be magnetically recovered and reused up to five cycles without compromising its catalytic
efficiency.
198
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Recent Advancement of Chiral Hydroxamic Acids in Asymmetric CatalyticSynthesis
Kiran Thakur*, Vandana Relwani, Santosh Singh Thakur
Govt. Pataleshwar College, Masturi, Bilaspur (C. G.), Govt. M.L.S.College, Seepat, Bilaspur (C. G.), Guru Ghasidas Central
University, Bilaspur (C. G.)
Abstract:
Chiral hydroxamic acids were reported as a chiral catalyst coupled with various transition metals, for asymmetric catalytic
synthesis. There were many reports on enantioselective epoxidation reaction using Vanadium-chiral hydrroxamic acid
complex as a catalyst. Various design and development of chiral hydroxamic acids have been made to improve the
enentioselectivities of the product. In this review paper the series of recent development of chiral hydroxamic acid as a ligand
for catalysis during asymmetric transformations will be discussed elaborately.
Keywords:-Chirality, catalysis, hydroxamic acid, asymmetric synthesis.
199
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Aggregation of lysozyme in presence of mixed bilayer of POPC and POPG
Ms. Shahee Islam
Department of Chemistry, University of Calcutta, Kolkata-700 009.
E-mail: [email protected]
Abstract:
Understanding the molecular mechanisms by which amyloidogenic proteins interact with membranes is a challenging
research. Amyloid-accumulates from many human diseases has been observed to contain membrane lipids. In this work, we
have used coarse grained molecular dynamics (CG MD) simulation to inspect hen egg white lysozyme (HEWL) aggregation
and membrane association in presence of mixed bilayer POPC (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine) and
POPG (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylglycerol). It was observed that at first two HEWLs were interacting with
membrane individually but when the two proteins come close to each other they prefer to form aggregate and after
aggregation the aggregated system started to interact with the membrane. Our results indicate that membrane helps in
protein aggregation and there was structural rearrangement of thes lipid was found along the course of aggregation. We
believe our study will provide considerable insights to lysozyme aggregation in presence of membrane environment.
200
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CHEMICALS IN FOODS
AMIT KUMAR DAS UG CHEMISTRY (B.SC 3rd YEAR) FAKIR CHAND COLLEGE,
DIAMONDHARBOUR, UNIVERSITY OF CALCUTTA Email:[email protected]
ABSTRACT:
Chemicals are essential building blocks for everything in the world.All living matter, including people, animals and plants,
consists of chemicals. All food is made up of chemical substances. Chemicals in food are largely harmless and often
desirable- for example, nutrients such as carbohydrates, protein, fat and fibre are composed of chemical compound.
Chemicals can however, have a variety of toxicological properties, some of which might cause effects in humans and
animals. Usually, these are not harmful unless we are exposed to them for a long time and at high levels.This scientific advice
informs decision – makers who regulate the use of chemicals in food or seek to limit their presence in the food chain.
Chemical substances can play an important role in food production and preservation. Food additives can, for example,
prolong the shelf life of foods; others, such as colours, can make food more attractive. Flavourings are used to make food
tastier. Food supplements are used as sources of nutrition.
Some plants and fungi naturally produce toxins that can contaminate crops and be a concern for human and animal’s health.
Peoplecan also be exposed to both naturally occurring and man- made chemical compounds present at various levels in the
environment,e.g. in soil , water and the atmosphere. Examples include industrial pollutants such as dioxins and PCBs. A
variety of metals can be present naturally in the environment or as a result of human activity
.
201
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CHARACTERIZATION AND SPECTRAL ANALYSIS OF NICKEL(II), COBALT(II) AND COPPER(II) COMPLEX WITH
LEWIS BASES
Birendra Kumar1, Praveen Kumar Singh2, Rekha Rani2, Dayanand Prasad2, Sunny Kumar2 and Shivadhar Sharma2
1 = Department of Chemistry,, J J College,Gaya
2 = University Department of Chemistry, M. U. Bodh-Gaya.
ABSTRACT Co(II), Ni(II) and Cu(II) complexes of dihydrobis(1-pyrazolyl)borate and their adducts with some Lewis bases have been
prepared and characterized by elemental analyses, IR and UV–vis spectroscopic techniques. The adducts were either 1:1 or
1:2 complexes depending on whether the Lewis base was bidentate or monodentate. The results indicate that adducts with
1,10-phenanthroline were the most stable due to the chelating effect of the Lewis base. The order of reactivity of the
complexes was determined to be Ni(H2BPz2)2> Cu(H2BPz2)2> Co(H2BPz2)2> Co(H2BPz2)2. The effects of various solvents
(i.e., benzene, chloroform and DMF) on the structure were studied. The solvents appear to minimally affect the visible spectra
of Co(H2BPz2)2. The Ni(H2BPz2)2 and Cu(H2BPz2)2 adducts exhibit a four-coordinate structure in non-coordinating solvents.
However, in coordinating solvents, such as DMF, the adducts exhibit six-coordinate structures.
KEYWORDS: Transition metal Complex, Scorpionate, Lewis bases, Spectroscopic analysis.
202
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Adsorbent based methods for the removal of toxic metal ion from aquatic environment
Dr. Ratna Singh, Mrs. Aruna V. Kapse
Abstract
As we know that there are number of water purification techniques for wastewater treatment electrocoagluation and
adsorption have better ability to reduce the water parameters but the adsorption is one of the most simplest, effective and
economical method for wastewater purification. Coal combustion in power plant produces fly ash. Fly ash may be used in
water treatment to remove toxic metal ion from aquatic environment Incineration is widely adopted in modern waste
management, the incineration ash may be used as an adsorbent for waste water treatment. In this article a large number of
solid adsorbents such as agricultural wastes, natural adsorbents, biomass, carbon based nanomaterials, nanoadsorbents,
nobel metal based nanomaterials, metal oxide based nanomaterials, spinel ferrite based nanomaterials, nanocomposites,
geopolymer cement have been discussed for the removal of different pollutants from waste water. Adsorption isotherm
models, kinetic models, thermodynamic parameters and adsorption mechanism have also been discussed. This review article
aims to compile scattered information on the different adsorbents that are used for heavy metal removal and also try to point
out the advantages and drawbacks of adsorbents and the future research needs in the area of water purification by
adsorbents.
Keywords : fly ash, solid waste, nanomaterial , incineration ,adsorbent ,heavy metal.
203
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Sustainabletreatment and recovery from waste effluents of food processing units
Manish Kaushik
Department of Chemical Engineering, Noida Institute of Engineering and Technology, Greater Noida – 201306
email: [email protected]
Abstract
Food industries cover several activities like processing, conversion, preparation, preservation, and preservation. The raw
materials are extracted from agriculture, farming, and fishing. The food processing sector includes milk and milk products,
fruits, vegetables and juices.Food waste must be popular to boost sustainability by preserving its valuable components. In
particular, the need to behave in a sustainable manner can no longer be overlooked by food processing companies and
agricultural development processes. "Sustainability is a technology that addresses today's needs but does not sacrifice future
generations' ability to fulfill their individual needs." Livestock feed collection, nutrient-rich manure compostation, anaerobial
fermentation, waste harvesting for other industries, feeding the excess food to poor citizens, are safe, effective, and
successful waste management approaches. The Food Recovery Hierarchy of the United States Environment Protection
Agency (EPA) includes guidelines on the development of a system that gives food processors and food farmers the most
economic, society-related, and food output benefits.
Fig. 3.5 .EPA’s Food Recovery Hierarchy (US EPA, 2015)
204
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Experimental and DFT study of a di-nuclear CuI complex with (E)-2-benzylidene-N-methylhydrazinecarbothioamide
Tarlok S. Lobanaa, Rekha Sharma,a SanyobiKim,b TakashiroAkitsub
aDepartment of Chemistry, Guru Nanak Dev University, Amritsar 143 005 India bDepartment of Chemistry, Faculty of Science, Tokyo University of Science, Kagurazaka, Shinjuku-Ku, Tokyo 162-8601, Japan
Abstract
An equimolar reaction of copper(I) chloride with the (E)-2-benzylidene-N-methylhydrazine -carbothioamide (btscH-N1HMe)
thio-ligand in acetonitrile followed by the addition of one mole of triphenyl phosphine(Ph3P) gave crystals of empirical
composition, {CuCl(Ph3P)(btscH-N1HMe)}. The infrared spectroscopy, 1H-NMR spectroscopy and single crystal x-ray
crystallography revealed the formation of the di-nuclear compound, [Cu2(-Cl)2(Ph3P)2(1S-btscH-N1HMe)2]. Intermolecular H-
bonding between dimeric units led to the formation of a H-bonded polymer.
DFT calculations on complexes of copper(I) halides with model thiosemicarbazone {H2C2=N3-N(H)-C(=S)-N1HMe} and PH3 as
a co-ligand revealed the formation of halogen-bridged or sulfur-bridged dinuclear complexes without or with halogen - solvent
/ water hydrogen bonding. Some interesting conclusions are inferred based on experimental-theoretical correlations. DFT in
software of Gaussian09 was adopted UB3LYP as generic function and applied Lanl2DZ to Cu atom to reduce the cost of
calculation.Focused complexes are optimized and oscillated by 6-31G(d) and excited by 6-31+G(d) as a basis function but
except for complexes containing iodine and it was operated by same basis function 3-21G in consistency. Optimized
structures and two kinds of physical property about complexes varied depending on the ligand and halogen. In the case of
sulfur bridged complexes, only simple substances could not be converged but these are resolved in the situation which is
surrounded by solvent (water). This process revealed that hydrogen bonds between complexes and solvent play an crucial
role to generate desired structures.
205
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Coordination polymers of Ag(I) and Hg(I) ions with 2,2′-azobispyridine: synthesis, characterization and enhancement
of conductivity in presence of Cu(II) ions
Dr. Suvendu Maity
Department of Chemistry, Jadavpur University, Kolkata
Email: [email protected]
ABSTRACT
The cataionic coordination polymers (CP) of the types, [Hg2(abpy)2]n[PF6]n (1)and [Ag(abpy)]n[PF6]n (2)(abpy = 2,2′-
azobispyridine) were synthesized and characterizedby single crystal X-ray diffraction (SCXRD), infrared spectra. From single
crystal X-ray structure determination in solid-state structure there are different types ofwander walls interactions like π...π
stacking, anion...π, C-H...π are present and both the compounds have able to generate two dimensional (2D) supra-
molecular architectures.The compounds show the electrical conductivity of the compounds in the solid state and experiments
were done by using crystals. The relative conductivity of the Hg(I) CP is greater than the Ag(I) CP and the optical band gap
obtained from the UV-vis spectroscopy the Hg(I) CP (3.14 eV) has lower than Ag(I) CP (3.41 eV). The study infers that the
band gap for Hg(1) CP decreases for Cu2+ ions and the UV-vis spectra the λmax shift to the red shifted and the incorporation of
Cu2+ ion in the CP is authenticated by EPR spectroscopy. The relative conductivity of 1 is 62 times greater than 2. The
conductivity of 1 increase 70 fold when it reacts with Cu2+ ions.Moreover, band gap of the CPs has been obtained by DFT
computation, which also supports the progression of conductivity.
206
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Meglumine: A novel and efficient catalyst for one-pot, three-component synthesis of kojic acid derivatives
V. Vijayakumar and S. Sheik Mansoor*,
Research Department of Chemistry, Bioactive Organic Molecule Synthetic Unit,
C. Abdul Hakeem College (Autonomous), Melvisharam – 632 509, Tamil Nadu, India
e-mail: [email protected]
Abstract:
An efficient one-pot synthesis of kojic acid derivativesby a meglumine-catalyzed three-component reaction hasbeen
developed.Kojicacid and its analogues have emerged as promising scaffoldsbecause of their broad spectrum of biological
activities such aserbicidal, antimicrobial, pesticidal and insecticidal behaviour.In particular, kojic acid is used as a skin
lightening/depigmentationagent in personnel care products. It is known to inhibit tyrosinase,which is responsible for the
formation of melanin in skin. Furthermore,it is used as an antioxidant in food stuff.
Meglumine is an amino sugar derived from sorbitolwith molecular formula C7H17NO5. In particular, the low toxicity of
meglumine allows its use in the formulation ofpharmaceuticals as an excipient and in conjunction withiodinated compounds in
contrast media such as diatrizoatemeglumine and iodipamide meglumine.
Considering the development of new multicomponent reactions and environmental benignsynthetic methodologies, we wish
to report a facile, one-pot,three-component process for the synthesis of kojic acid derivatives from the reaction of aldehydes,
malono nitrilewith kojic acid in the presence of meglumineat room temperature in ethanol-water as solvent. The synthesised
compounds are acted as antimicrobial agents.
OHO
OH
O
CN
CN
CHO
OHO
O
O
R
NH2
R1
R1
1111aaaa---- jjjj 2222 3333 4444aaaa----jjjj
++ Meglumine
EtOH - Water
207
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A dual channel subsequent detection of Cu2+ ion and Cysteine by substituted imidazole probe
Abhijit Mandal, Shubhamoy Chowdhury
Department of Chemistry, University of Gour Banga, Malda, Email: [email protected]
Abstract
A trisubstituted imidazole derivative has been synthesized; it can detect Cu2+ and cysteine by changing colour as well as
fluorescence. The ACN solution of the probe changes its colour from colourless to red in addition of Copper(II) ions and its
fluorescence get diminished. The detection limit is 2.25 µM. The Cu2+ Probe complex is red colour and the addition of
cysteine restores fluorescence and reverses the colour change. A Job’s plot confirm 1:1 stoichiometric ratio, also supported
by ESI-MS spectrum. The probe has good cell permeability, suitable for fluorescence imaging technique and it is able to
detect Cu2+ ion in B16F10 skin melanoma cells. The probable structure of the Cu2+ probe complex and mechanism of the
sensor was also supported through Density Functional Theory
208
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Characterization of perovskite based lead-free ceramics (K,Na)NbO3
Deva Sucharitha C
Dr Madhavaprasad Dasari GITAM University, Visakhapatnam.
Currently, lead zirconium titanates (Pb, Zr) TiO3 (PZT) are widely using because of their superior piezoelectric properties. The
perception about the subsequent complications of environment and human health, environmental regulations restricted the
use of hazardous substances, especially, consumption of the lead in the piezoceramics. The toxicity of lead oxide
contaminates the environment in the firing process and tarnishes the human health. However, Lead-free ceramics are still
inferior but a good alternative to replace PZT ceramics. Also, K(1-x) Na(x) NbO3 at x=1/2 ceramics exhibits the Morphotropic
Phase Boundary (MPB) between Orthogonal and tetragonal phases (O-T phase), which grasped the researcher’s attention
and motivated to focus on lead-free piezoceramics. Specifically, K0.5 Na0.5 NbO3 shows magnificent piezoelectric and
ferroelectric properties. In the past two decades, researchers reported gracious properties of (K, Na) NbO3 and explored
various potential applications. The factors, high transition temperature, low dielectric constant, high remnant polarization and
high electromechanical coupling coefficient made KNN as the priority. The preparation of sodium-potassium niobate ceramics
is associated with distinct problems.The preparation of sodium-potassium niobate ceramics is associated with distinct
problems. Defending the starting powders from the external factors, non-stoichiometry due to the sensitivity, complications in
the process of densification, higher water solubility as they are alkaline carbonates, high volatilization and poor sinterability.
Most of the problems associated with KNN were studied and optimized. Among all the preparation of starting powders is very
challenging. From the literature, there are several techniques available to amalgamate the powders. The Conventional mixed-
oxide method is the most commonly used technique. In the chemical route, sol-gel method, hydrothermal synthesis and co-
precipitative methods are available. In the conventional method, the calcination temperature is very high which harden the
powders. In the current work, powders prepared in the molten salt synthesis which is an effective process to supersede
conventional mixed-oxide method. The advantages of molten salt synthesis are low calcination temperature and obtaining
grain-oriented ceramics because of providing control on particle morphology.
209
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Carboxymethyl chitosan /Halloysite Nanotubes Bionanocomposite Films for Wound Dressing
Nirmla Devi
Assistant professor & Head, Department of Chemistry, Suraj PG Degree College, Sec.-75 Gurugram,
Haryana 122103, India
E-mail:[email protected]
Abstract: In the present work, carboxymethyl chitosan/ halloysite nanotubes bionanocomposite films were prepared via
solution mixing method. Firstly, water soluble chitosan derivate i.e. carboxymethyl chitosan (CMCS) was synthesized by
carboxylation reactionreported in literature. Then, stock solution of CMCS (w/v %) and halloysite nanotubes were
preparedseparately in distilled water. After that the CMCSsolution and halloysite nanotubes were mixed into different
proportion to form bionanocomposite films for wound healing application as shown in Figure 1. The wound healing efficacyof
the prepared bionanocomposite films were studied by various physical properties (swelling ability, water vapour transmission
rate (WVTR), pH of biocomposite, folding endurance, porosity, and thickness) as well as biological properties (soil
degradation and hemolysis).The swelling ability, WVTR, folding endurance, porosity, and thickness results showed that there
were significant effects of the amount of halloysite nanotubes on the prepared bionanocomposite films.In addition, the above
said bionanocomposite films were non-hemolytic and biodegradable in nature. The result of physical and biological properties
proved that the prepared bionanocomposite films could be used for wound healing application.
Keywords: Carboxymethyl chitosan; Halloysite nanotubes; Bionanocomposite;
Figure 1: A schematic representation of preparation and evaluation of bionanocomposite films for wound dressing.
210
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ANTIBACTERIAL ACTIVITY OF di-PHOSPHATE ESTER HAVING C-N-P LINKAGE
Pragya Awadhiya*1, Jaya Singh2
1Rungta College of Engineering and Technology, Raipur, Chhattisgarh 492010, India
2Shri Shankaracharya Institute of Professional Management and Technology, Raipur, Chhattisgarh, 492010, India
E-mail: [email protected] , [email protected]
Abstract:
Di-p-toluidine phosphate has been synthesized by the reaction of p-toluidine, with phosphorylating agent POCl3.
Characterization is done by elemental and IR spectral analysis. Resistance in some pathogenic bacterial strains to
conventional antibiotics has initiated to search for effective treatments against microorganisms. In this context, antibacterial
activity of synthesized phosphate ester has been tested by determining the zone of inhibition of bacterial growth. The isolation
of bacteria and their characterization by different methods have been carried out. Different concentrations of phosphate ester
in DMSO were applied to examine their antibacterial activity against coccus gram positive and gram negative bacteria by
paper disc diffusion method. Zone of inhibition was observed and measured in mm. The study confirms that phosphate ester
is highly effective against coccus gram negative bacteria as compared to gram positive bacteria.
Key words: Di-p-toluidine phosphate, antibacterial activity, paper disc diffusion method, zone of inhibition.
211
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Rationally Designed Multifunctional AIEgens For the Selective Sensing Of Trinitrophenol (TNP) And Cell-Imaging
Satyajit Saha,*a Valmik P. Jejurkar,a Gauravi Yashwantrao,a B. Pradeep K. Reddy. B,bAnuja P. Ware,c Subhash S.
Pingale,cRohit Srivastava,b
aDept. of Dyestuff Technology, Institute of Chemical Technology, Matunga, Mumbai-400019
bDept. of Bioscience and Bioengineering, IIT Bombay, Mumbai, Maharashtra, India.
cDept. Of Chemistry, Savitribai Phule Pune University, Ganeshkhind, Pune, Maharashtra-411007
Corresponding author (Satyajit Saha) email: [email protected] (SS)
Abstract:
Two structurally unique Aggregation Induced Emission (AIE)-active luminogens have been designed and synthesized based
on the furocarbazole skeleton. Such small molecule AIEgens were distinctively designed based on forbidden planarity and
engineered twist in the scaffold to realize their effects on inducing the emission in the aggregated states. The structures were
fully characterized and thermal stabilities, electronic properties, photophysical and electrochemical properties were
systematically investigated. The unique twist in the molecules as evident from their X-ray crystal structure along with the short
intermolecular interactions ameliorates the structural rigidification and restricts the detrimental π-π stacking interactions,
restricting the internal rotations (RIR) accompanied by curbing the ICT process, resulting in the enhanced emission in the
aggregated state. This intriguing luminescent property enabled one of the luminogen to selectively detect trinitrophenol (TNP)
over other nitroaromatics in both aqueous and organic media in nanomolar concentration. Moreover, the good photostabilities
and biocompatibilities empowered both the luminogens to function as fluorescent bio-probe for cancer cell imaging.
Keywords: Furocarbazole, AIEgens, TNP sensing, Cell-imaging.
Reference: Valmik P. Jejurkar, Gauravi Yashwantrao,B. Pradeep K. Reddy, Anuja P. Ware, Subhash S. Pingale Rohit
Srivastava, Satyajit Saha*ChemPhotoChem, 2020, DOI: 10.1002/cptc.202000090.
212
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. Synthesis of nanoparticles via plant extracts
Dr. Rashmy Nair
Department of Chemistry, S. S. Jain Subodh P. G. (Autonomous) College, Jaipur-302004 (Rajasthan)
Email address: [email protected]
ABSTRACT
Metallic nanoparticles are utilized in every field of science may it be medical or engineering. These metal and metal oxide
nanoparticles are synthesized by the top down or bottom up approaches, in which the later approach becomes more versatile
as it involves the green synthesis by the plants (leaves, root, flowers and fruit) and microorganisms (algae, fungi and
bacterium). This ecofriendly protocol is helpful in overcoming the destructive effects of the chemical synthesis of
nanoparticles like use of toxic chemicals, shorter reaction times, formation of harmful by-products etc. The nanoparticles so
obtained have a variety of applications like antimicrobial activity, pollutant dyes removal, catalysis and many others. They can
equally well be applied in food, cosmetic and pharmaceutical industries. There are ample possibilities in this field of
environment friendly strategy of nanoparticles synthesis.
213
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Purification of Zinc Oxide by Petroleum Coke Using Direct Thermal Process
Shreemoyee Ghosh
Undergraduate Student (UG)
Department of Petrochemical Engineering, Dr. Babasaheb Ambedkar Technological University Lonere, Maharashtra
Email: [email protected]
Abstract:
The purification of impure zinc oxide (80-85 wt %) by using petroleum coke (carbon content is 76 wt %) as reducing agent for
the impure zinc oxide to provide pure zinc vapor, which will be oxidized later by air to the pure zinc oxide. The operating
conditions of the reaction were studied in detail which are, reaction time within the range (10 to 30 min), reaction temperature
(900 to 1100 oC), air flow rate (0.2 to 1 l/min) and weight percentage of the reducing agent (petroleum coke) in the feed (14 to
30 wt %). The best operating conditions were (30 min) for the reaction time, (1100 oC) for the reaction temperature, (1 l/min)
for the air flow rate, and (30 wt %) of reducing material (petroleum coke) in the feed. Under the above conditions, conversion
of zinc oxide was (68.12 %) and the purity of the produced zinc oxide was (97.85 %) by using petroleum coke as reducing
material.
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Chemical examination ofaerial part of Adhatodavasica
Poonam Khandelwal
Department of Chemistry, Mohanlal Sukhadia University, Udaipur-313001, INDIA
*E-mail: [email protected]
Abstract
Adhatodavasica or Justicaadhtoda,which is commonly known as ‘Vasaka’ or ‘Adosa’. It has been used as traditional
medicine from ancient time. A numberof bioactive constituents have been isolated from this plant. This plant is included in
the “Manual of Traditional Medicine in Primary Health Care”, published by the World Health Organization, where it is
recommended for the treatment of cough, asthma, breathing trouble, phlegm, allergic conditions, bleeding hemorrhoids, both
for adults and youth.Alkaloids are one of the major secondary metabolite of this plant, which are foundin the form of
pyrroloquinazolinederivatives. Adosaalso contains several other phytochemicals such as flavonoids, terpenoids, chalcones,
glucoside and other miscellaneous compounds.
Re-investigation of Adhatodavasicaled to the isolation of two compounds namely pentonic acid-3-deoxy-γ-lactone (1),
peganine-N-oxide (2)along with alkaloid vasicine and vasicinonefrom the methanol extract of its aerial parts. These
compounds have been isolated for the first timefrom this plant. All the compounds were characterized by modern
spectroscopic techniques.
215
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Impact of Glycerol Based Deep Eutectic Solvent on Micellization Behaviour of Conventional Cationic Surfactants
Manoj Kumar Banjarea,b*, Ramesh Kumar Banjarea and Kallol K Ghoshb*
aMATS School of Sciences, MATS University, Pagariya Complex, Pandari, Raipur (C.G.), 492 009, India.
bSchool of Studies in Chemistry, Pt. Ravishankar Shukla University, Raipur (C.G.), 492 010, India.
ABSTRACT
The aggregation behaviour of two cationic surfactants i.e., cetyldimethylethanolammonium bromide (CDMEAB) and
cetyltributylphosphonium bromide (CTBPB) within aqueous deep eutectic solvent (DES) is studied. The DES synthesised is
composed of 1 : 2 mole ratio of choline chloride and glycerol and furthermore characterized by FTIR and 1H-NMR
spectroscopic techniques. The critical micellar concentration (CMC), micellar size and intermolecular interactions in
surfactants with Gly based DES solutions are investigated by various techniques including the surface tension,
conductivity, fluorescence, dynamic light scattering (DLS), FTIR, 1H-NMR, and 2D NOESY spectroscopy. The CMC,
aggregation number (Nagg), Stern-Volmer constants (Ksv) have also been studied by steady state fluorescence method.
DLS is used to obtain information regarding the size of the aggregates formed by the cationic surfactants in DES solutions.
FTIR spectroscopy was used to study the surfactant-DES interactions that leads to tune the micellar structure of the
surfactants within the Gly based DES solution. 1H-NMR and NOESY spectroscopic methods are further employed to
strengthen our claim on the feasible structural arrangements within the aqueous surfactant-DES self-assembled structures.
The present results are expected to be useful for colloidal aspects of DES and their mixtures with water.
Key words: Cationic surfactant, Deep eutectic solvent, Micellization behaviour, Spectroscopy.
References:
1. Banjare, M. K.; Behera, K.; Satnami, M. L.; Pandey, S.; Ghosh, K. K. Self-assembly of a short-
chain ionic liquid within deep eutectic solvents. RSC Adv., 2018 (8) 7969-7979.
2. Banjare, M. K.; Behera, K.; Kurrey, R.; Banjare, R. K.; Satnami, M. L.; Pandey, S.; Ghosh, K. K.
Spectrochim Acta A,. 2018 (199) 376–386.
3. Banjare, M. K.; Behera, K.; Kurrey, R.; Banjare, R. K.; Satnami, M. L.; Sahu, R.; Sharma, S. Pandey, S.; Ghosh, K.
K., ACS Sustainable Chem. Eng., 2019, 7, 11088−11100
216
PP-47
Free radicals and heavy metals in the hair samples of some wild animals
Sankar Neogi
Department of Chemisty
Haflong Govt. College, Haflong, Assam-788819
e-mail: [email protected]
Abstract
Atomic absoption spectroscopic study of hair samples of some cat family members’ like the leopard cat, civet cat, flying
squirrel and leopard from Assam, North East India revealed the occurrence of some trace metal. Scanning electron
microscopic (SEM) study reveals the ultra structural features of the hair samples. Infrared spectroscopic study of the samples
revealed characteristic peaks typical of CH, NH and OH vibrational mode. Electron spin resonance spectroscopy suggested
occurrence of free radicals consistent with the presence of transition metals. The present study intends to provide some
elemental and spectral data of the hair samples of cat family members.
Key words: Hair, cat, FT-IR, SEM, AAS.
217
PP-48
Synthesis, Characterization, Biological Screening and Molecular Docking Studies of Newer BenzimidazoleAnalogs
as Potential Antibacterial, Anticancer and Antifungal Agents
Harsh Bharadwaj, Chandra Shekhar Sharma
Department of Pharmaceutical Chemistry, Bhupal Nobles’ College of Pharmacy, Bhupal Nobles’ University, Udaipur-313001,
Rajasthan, India
Abstract
Benzimidazole is very attractive nucleus to design new antibacterial, antifungal and anticancer agents. Therefore, in this work,
we synthesize and evaluate novel benzimidazole derivatives for their antibacterial, antifungal and anticancer activity.
Numerous derivative of benzimidazole were designed and evaluated by the docking studies using glide tool for their
antimicrobial and anticancer activities. o-phenylenediamine and salicylic acid were used for the synthesis of 2-(1-(substituted
phenylamino) methyl-1H benzo[d] imidazol-2-yl) phenol (3a-3g) derivatives by using various substituted piperazine. The
structures of these compounds were characterized by IR, 1H NMR, Mass spectral data and elemental analysis. Each
analogue was tested in vitro for various types of pharmacological activity of this class of drugs including antibacterial,
antifungal and anti- cancer activity.The compounds 3c found most active against E.coli and P. aeurigenosa and 3e found to
be most active against B.subtilis and S.aureus. The derivative 3g shows good activity against C.albicans and A.niger.Among
all the tested compounds 3a and 3b were found with significant anticancer activity in comparison to Adriamycin standard
drug. It can be deduced that these synthesized compounds can be regarded as a promising starting point for developing
single molecule with multiple targets.
218
PP-49
Use of activated carbon as hydrogen storage material
Samyabrata Bhattacharjee1, Siddhartha Sankar Boxi2
Department of Chemical Engineering, Haldia Institute of Technology, Haldia 721657, West Bengal, India
Abstract:
Today’s transportation sector is almost dependant on petroleum-derived fuels. There is the challenge to stabilize the global
carbon dioxide level. To make the transportation sector free from petroleum driven researchers are now focusing on some
new technology such as hydrogen-powered fuel cell vehicles (FCV) over internal combustion engine (ICE). The biggest
benefit of hydrogen power fuel cell is its zero emission which is highly desirable for the pollution free green environment.
Some technological hurdles of FCV such as its efficiency and difficulty in storage make it limited in commercial applications.
Hydrogen storage materials have major role in that purpose. In general, hydrogen storage materials can be classified into two
categories based on (i) the nature of their sorption mechanism and (ii) by the identity of the material itself. The most relevant
hydrogen storage materials are (1) conventional metal hydrides, (2) complex hydrides, (3) sorbents, and (4) chemical
hydrides. Conventional metal hydrides possess high volumetric capacities, favourable kinetics, efficiencies and
thermodynamics, and are reversible on-board the vehicle. But, it has lo gravimetric capacities. Complex hydrides typically
have both high gravimetric and volumetric capacities but has poor hydrogen uptake/release kinetics. Sorbents have high
gravimetric capacities and are on-board reversible with facile kinetics But have modest volumetric capacities and poor
thermodynamics. The chemical hydrides possess high hydrogen capacities by both volume and weight but can be
excessively exothermic and require significant heat management. Till now a great deal of progress has been made in the
development of new material for hydrogen storagein laboratory scale. However, in future further development is highly
desirable to make hydrogen-powered fuel cell vehicles (FCV).
Keyword: Hydrogen, Fuel cell, Internal combustion engine, Hydrides, Fuel cell vehicles.
References:
1. Yang. J, Sudik A, Wolvertonb. C and Siegelwa. D. J, High capacity hydrogen storage materials: attributes for automotive, (2008) applications and techniques for materials discovery 10.1039/b802882f
2. Annual Energy Review 2006, Energy Information Administration, U.S. Department of Energy (June 2007). T. J. Wallington, J. L. Sullivan and M. D. Hurley, Meteorol. Z.2008, 17, 109
219
PP-50
Detailed Charge Carrier Dynamics and Monovalent Cation Induced increment in Quantum Yield in Mixed Lead-
Bismuth Perovskite Nanocrystals
Shovon Chatterjee, Mainak Ghosal and Pratik Sen*
Department of Chemistry, IIT Kanpur, Kanpur-208016, UP, India Email:
[email protected] (SC) and [email protected] (PS)
Abstract: The low quantum yield of Bi3+ doped lead halide perovskite nanocrystals (NCs) is really a big challenge to the
scientific community, making these Bi3+ doped lead halide perovskite NCs a weak competitor in the field of optoelectronics
in spite of its better stability than its pure lead analogue. In this work, the reason behind this reduction of quantum yield in
hybrid mixed lead-bismuth bromide NCs (MPBBr) is investigated by time resolved emission study. One ultrafast process,
termed as trapping transfer appears in MPBBr, which is responsible for this huge reduction of quantum yield. It is also
proved that surface trap states are not involved in this trapping transfer, but the main culprit is crystal voids which acts as a
trapping center in MPBBr NCs. Further we have boosted the quantum yield up to 64% from 9% by introducing K + in the
MPBBr which actually fills the crystal voids up, proved again by the time resolved emission study. This study highlighted the
reason of quenching process in Bi3+ doped lead bromide perovskite NCs and most importantly a huge increment in
quantum yield upon crystal void filling.
References:
1. S. Chatterjee, P. Dey, N. Das, K. Tiwari, T. Maiti, P. Sen, Chem. Eur. J. 2020, 26, 1506. 2. R. Begum, M. Parida, A. L. Abdelhady, B. Murali, N. M. Alyami, G. H. Ahmed, M.
N. Hedhili, O. M. Bakr, O. F. Mohammed, J. Am. Chem. Soc. 2017, 139, 731.
3. P. Dey, V. Khorwal, P. Sen, K. Biswas, T. Maiti, ChemistrySelect, 2018, 3, 794.
220
AcknowledgementAcknowledgementAcknowledgementAcknowledgement
This year 2020 the Indian Chemical Society, Kolkata has organized a month long International Seminar on “Recent
Advances in Chemistry & Material Sciences (2020)” during August 02, 03, 08, 15, 22 & 29, 2020 to
commemorate the 159th Birth Anniversary of Acharya Prafulla Chandra Ray, the doyen of chemical sciences in
India for which I acknowledge all the Endowment and Invited Speakers, Conveners, Learned Judges, Presenters
and Participants.
I heartily acknowledge the Conveners, Dr. Gourishankar Roymahapatra (Haldia Institute of Technology, Haldia),
Dr. Mijanur Rahaman Molla, Dr. Kamalika Sen, and Professor Nikhil Guchhait, Department of Chemistry, University
of Calcutta, for their relentless effort to make this International Event successful.
I sincerely acknowledge the great and difficult job of the judgmental part of the International Seminar which has
been continued for a month despite of the pandemic situation with recurrent lockdowns due to COVID 19. I,
therefore, express heartfelt acknowledgement to Professor Alakesh Bisai (IISER Kolkata), Dr. Manindranath Bera
(Department of Chemistry, University of Kalyani), Dr. Ramananda Maity (Department of Chemistry, University of
Calcutta), Dr. Santanab Giri (Haldia Institute of Technology, Haldia), Prof. Sayan Bhattacharyya (IISER Kolkat),
Professor Somenath Roy (Former Professor, Vidyasagar University), Professor Debaprasad Mandal (IIT Ropar),
Dr. Biswajit Pal (St. Paul’s C M College, Kolkata) and Professor Ashok K Mallik (Former Professor Jadavpur
University).
I sincerely acknowledge the Endowment Speakers for their most valuable lectures with lively demonstrations.
Heartfelt acknowledgement is conveyed to all the Invited Speakers, of which, some are on the recent dreadful
global threat for human race in form of COVID 19.
I express my wholehearted acknowledgement to all the presenters (Oral & Poster), general participants and
especially the young researchers for their aspirant and innovative presentations. Last but not least, the
management of web-platform by Mr. Biplab Basu at this pandemic situation is sincerely acknowledged. Office Staff,
Dr. Rahul Bhattacharya, Executive Officer; Mr. Partha Ganguly and Mr. Sandip Datta are gratefully acknowledged
for their heartfelt service.
Professor Chittaranjan Sinha
Convener of the Symposium&Honorary Secretary, Indian Chemical Society
221
Author Index
A. Mavani-69
A.K.guptab-135
Aben Ovung-69, 70
Abhijeet S. Kate-96
Abhijit Mandal-207
Abhinandan Rana-148
Abhishek Sharma-170
Adity Bose-50
Aditya Bhattacharya-167
Aftab Ahmad Sulaiman- 99
Akashdeep Sahu-171
Akito I Sema-54
Alok Jain-96
Alok Kumar Yadav-147
Amit Jain-163
Amit Kumar Das-200
Amita Somya-149
Amrutham Santoshi Kumari-174
Ananya Das Mahapatra-88
Animesh Kundu-56
Anindita Chakraborty-115
Anirban Das-161
Anjali Patel-52
Anoop K Gupta-95
Antara Reja-85
Anu Radha-100
Anuja P. Ware-211
Anup Barde-145
Anwesha Bhattacharjee-172
Aritra Das-186
Arjun Kumar-173
Arnab Halder-93
Arti Vishwkarma-101
Aruna V. Kapse-202
Arunangshu Kundu-102
Ashanendu Mandal-103
Asheesh Mishra-104
Asutosh Goswami-96
Atanu Singha Roy-140
Ayan Datta-71
B. Pradeep K. Reddy. B-211
B.Gopal Krishna-132
Baby Mandal-187
Baisali Rajbansi-130
Basudev Mandal-185
Bhaskar Biswas-68
Bhavya Srivastava-78
Bibhuti Bhusan Parida-157
Birendra Kumar-201
Biswadeep Pal-105
Biswajit Jana-106
Biswajit Maji-167
C. Tejasree-174
Chandana Pramanik-185
Chandra Chowdhury-71
Chandra Shekhar Sharma-97, 217
Chirantan Roy Choudhury-74
Chittaranjan Sinha-88,107
C.S.Azad-187
D kishore-190
D. Chattopadhyay-88
D.K. Raia-135
Dayanand Prasad-201
Debajyoti Debnath-175
Debanjan Chatterjee-96
Debashis Mallick-109
Debashree Das-62, 75
Debasis Dhak-165
Debayan Sarkar-127
Debdas Mandal-150
Debobrata Sheet-110
Deva Sucharitha C-208
Devashish Sood-127
Dhirendra K Rai-95
Dhruvi Pithadia-52
Dikshita Dowerah-176
Dilip K. Bhattacharyya-193
Dinesh Kumar Pyne-93
Dinesh Panday-177
Dipak K. Goswami-55
Dipika Pan-80
G.S. Mukherjee-163
Ganapathi Anantharaman-82, 112
Gaurav Tamrakar-60
Gauravi Yashwantrao-113, 168,
211
Gobinda Ch. De-58, 102
Gourisankar Roymahapatra-58, 73
Gulmi Chakraborty-153
Gunja Kumari-114
Harsh Bharadwaj-217
Himadri Acharya-115
Hiroki Sato-143
Indrapal karbhal -90, 171
Iruthayaraj Avinash-82
Ishu Saraogi-161
Jagadeesh Kumar Ega-178
Jaya Singh-210
Jhimli Bhattacharyya-54, 69, 70,
84, 121, 139
Jhuma Ganguly-80, 106
Joyita Dutta-73
Jyotirmoy Maiti-152
Kallol K Ghosh-89, 91, 92, 171,
195, 215
Kalyan Kumar Rana- 179
Kamalika Sen-50, 51, 62, 75, 78
Kiran Thakur-198
KN Srinivasan-129
Koushik Chandra-116
Krushna Chandra Sethi-162
222
Kumara Swamy Jella-178
Kushal Qanungo-94
Laboni Das-51
Lakshita Dewangan-79
Lalit Sharma-100
Lavkesh Kumar Singh Tanwar-91
M. Banerjee-163
M.K. Singha-135
Madhurima Jana -77
Manik Das-87
Mainak Ghosal-219
Manish Kaushik-203
Manmohan L. Satnami-79
Manoj Kumar Banjare-215
Manoj Kumar Ghosh-117, 125
Mayank K Singh-95
Md. Mobashshir Sulaiman-99
Mijanur Rahaman Molla-67
Mita Halder-50
Mosidur Rahaman Molla-63
Moumita Gangopadhyay-81
Moumita Majumdar-53
Mrinal K. Adak-165
Mrinal Kanti Dash-58
N. Guhaa-135
Nabanita Naskar-76
Namita Singh-112
Nancy Jaswal-100
Narayan Ch. Das-55
Naresh Kumar--118
Narugopal Manna-166
Nasseb Singh-61
Nidhi Nirmalkar-134
Niladri Biswas-74
Nimish Kumar-119
Nira Parshi-80
Niraj S. Topare-120
Niraj Upadhyay-170
Nirmla Devi-209
Nirupma Singh-180
Nishant Biswakarma-181
Nishithendu Bikash Nandi-182
Nungshioba Jamir-121
Omkar Shinde-161
Pabitra Kumar Kalita-146
Pallobi Sarkar-154
Pampa Guha-183
Parimal Chandra Bhomick-54
Parnajyoti Karmakar-184
Partha Pratim Bag-122
Pathoja Maity-172
Pawan Kumar-118
Payal Arora-49
Poonam Khandelwal-214
Prachi Prakash -66
Pradip Bera-185
Pragya Awadhiya-210
Prasanta Patra-123
Pratibha Sharma-143
Pratik Sen-186, 219
Pratyush Ghosh-186
Pravat K. Swain-162
Praveen Kumar Singh-201
Praveen Kumar Yadav-134
Preeti Yadav-143
Pritam Singh-50
Priyanka Gupta-125
Priyanka Sharma -94
Priyanka-126
Projesh Kumar Roy-188
Pulak K. Ghosh-175
Pulakesh Bera-185
Puppala Veerasomaiah-174
Pushpendra mani Shukla-167
Puspendu Kuila-127
R. Manivannan-138
R.K. Dey-189
Rahul Dwivedi-167
Rajaram Bal-142
Rajkumar Jana-71
Rajni Bais-111, 137
Rajpratap Kshatriya -113
Rakesh Parida-59
Rakhi goyal-190
Ramesh Ch. Deka-176, 181
Ramesh Kumar Banjare-215
Ranjan Das-152
Rashmy Nair-212
Ratan Kumar Dey-142
Ratna Singh-202
Reena Kalal-177
Reena Suryawanshi-191
Rekha Rani-201
Rekha Sharma-204
Renganathan Srirambalaji-112
Rima Thakur-63
Ritika Vaishnav-100
Rohit Srivastava-211
Rupasree Choudhury-128
S. Jothilakshmi-129
S. Rekha-129
S. Sheik Mansoor-206
S.K.Swain-189
Sabeeha Parveen -82
Samanwita Bhattacharya-130
Samiran Mondal-131
Samyabrata Bhattacharjee-218
Sangharaj Diyali-68
Sanjay Tiwari-132
Sanjib Senapatia-164
Sankar Prasad Paik-51
Sankar Neogi-216
Santanab Giri-58
Santanu Ray-50
Santosh Singh Thakur-134, 198
Sanyobi Kim-204
Sarathkumar K-95, 135
223
Sarfaraz Alam-161
Sarita Tripathi-112
Sarvesh Kumar Pandey-155
Satyajit Saha-113, 168, 211
Satyam Kumar Singh-136
Sayantani Barma-192
Sayantani Mitra-76
Seema Parveen-137
Shahee Islam-199
Shaktibrata Roy-182
Shalmali Basu-62
Shamim Ahmed Khan-72
Shampa Bhattacharyya-193
Shankha Banerjeea -164
Shantini A. Bokil-120
Sharad Kumar Sachan-112
Shashank Shekhar Mishra-97
Shikha Kumari -118
Shiv Kumar Manu-138
Shivadhar Sharma-201
Shovon Chatterjee-93, 219
Shreemoyee Ghosh-213
Shubhamoy Chowdhury-207
Shubhankar Ghorai-106
Siddhartha Sankar Boxi-218
Sk Asraf Ali-83
Soching Luikham-139
Somdev Pahari-77
Soumadip Banerjee-194
Soumen Ghosh-153
Soumik Bardhan-153
Soumik Bardhana-164
Soumitra K. Sengupta-101
Souradipto Choudhuri-172
Sourav Das-140
Sourav Majumder-158
Souvik Sen-75, 78
Sreekumar Kurungot-166
Srishti Sharma-89
Subanti Das-182
Subhajit Guria-64
Subhankar Sardar-141
Subhash S. Pingale-211
Subhashree Jayesh Pandya-92
Subhashree Mishra-142
Sudip Kumar Das-130
Sudip Majumder-143
Sudip Malik-71
Sudipta Ghosh-161
Sujata Maiti Choudhury-160
Sukanta Mandal-56
Sukanya Borthakur-146
Sukesh Patra-151
Suman Biswas-152
Sumit Kumar Dutta-57
Sunil K. Bhanja-151
Sunita Rattan-145
Sunny Kumar-201
Suparna Rana-179
Supriya Biswas-125
Supriya Kumari-124
Susanta Adhikari-64, 65
Susanta Kumar Borthakur-146
Susanta Lahiri-76
Sushama Sahu-195
Sushobhan Ghosh-102
Suvani Subhadarshini-55
Suvendu Maity-205
Suvroma Gupta-172
Swapan K. Saha-153
T.V.R.K. Rao-114, 173
Takashiro Akitsu-143, 204
Tanay Debnath-196
Tanmay Chattopadhyay-197
Tanushree Mishra-65
Tanushree Patnaik-189
Tarlok S. Lobana-204
Tarun Kumar Misra-53, 72, 128,
182
Tarun Kumar Naiya-105, 156
Tithi Maity-87, 144
Tomoyuki Haraguchi-143
Trishita Bhattacharjee-159
Tulsi Upadhyay-161
Tuyan Biswas-93
V. Vijayakumar-206
Valmik P. Jejurkar-113, 168, 211
Vandana Relwani-198
Varun Chaudhary-161
Vibeizonuo Rupreo-84
Vijay Devra-119
Vijay Kumar Sharma-145
Viniti Tomar-161
Yogesh Dhandhiand -156
Yogesh M. Gangarde-161