CRYSTAL ENGINEERING OF COORDINATION POLYMERS AND CO-CRYSTALS WITH GUEST INCLUSION DYNAMICS AND RELATED PROPERTIES Kumar Biradha

Department of Chemistry, Indian Institute of Technology, Kharagpur-721302, West Bengal Email: kbiradha@yahoo.com

Crystal engineering deals with designing functional materials with predesigned architectures and functional properties. A thorough understanding of the intermolecular interactions, which control the crystal packing, is necessary in this context.1,2 Among the various intermolecular interactions hydrogen bonding and coordination bonding are the most important tools for the design of supramolecular assemblies because of their strength and directionality. Identification of robust interaction patterns, supramolecular synthons, for a given functional group, and utilization of such patterns for building higher dimensional structures in a predictive manner is hugely successful and well employed strategy in crystal engineering. Our group works on crystal engineering aspects of 1) Co-crystals & Salts; 2) Coordination polymers/MOFs ; 3) Organic and metal-organic gels; 4) templation of solid-state [2+2] photochemical reactions of olefins.3 In this presentation our recent results on co-crystals/salts and coordination polymers and their guest inclusion/exchange dynamics will be presented.4

References: 1) a) G. R. Desiraju, Angew. Chem. Int. Ed. 1995, 34, 2311; b) M. J. Zaworotko, Chem.

Commun. 2001, 1; c) K. Biradha, CrystEngComm, 2003, 374; d) K. Biradha and M. Fujita, "Layered Materials by Design:2D Coordination Polymeric Networks Containing Large Cavities/Channels" in Crystal Design: Structure and Function, ed. G. R. Desiraju, John Wiley Publishers, Vol. 7, 211, 2003; e) K. Biradha, L. Rajput, “Crystal Engineering with Molecules Containing Amide and Pyridine Functionalities”, in Organic Crystal Engineering: Frontiers in Crystal Engineering; E. R. T. Tiekink, J. J. Vittal, M. J. Zaworotko, Eds.; John Wiley Publishers: New York, 2010.

2) a) K. Biradha, M. Sarkar and L. Rajput, Chem. Commun. 2006, 4169; b) K. Biradha and R. Santra, Chem. Soc. Rev 2013, 42, 950-967.

3) a) M. Garai and K. Biradha, Chem Comm. 2014, 50, 3568-3570; b) G. Mukherjee and K. Biradha, Chem Comm. 2014, 50, 670-672; c) M. Garai and K. Biradha, Angew. Chem. Int. Ed. 2013, 52, 5548-5551; d) S. Samai, P. Ghosh and K. Biradha, Chem.Commun. 2013, 49, 4181-4183; e) R. Santra, M. Garai, D. Mondal and K. Biradha, Chem. Eur. J. 2013, 19, 489-493. f) S. Roy, S. Prakash, S. K. Ray and K. Biradha, Angew. Chem. Int. ed. 2012, 51, 12012-12015; g) G. Mukherjee and K. Biradha, Chem.Commun. 2012, 48, 4293-4295; h) S. Samai and K. Biradha Chem. Mater. 2012, 24, 1165-1173; i) R. Santra, K. Banerjee and K. Biradha, Chem.Commun. 2011, 47, 10740-10742.

4) a) D. Das,G. Mahata, A. Adhikary, S. Konar and K. Biradha, Cryst Growth & Des. 2015, 15, 4132-4141; b) M. Garai and K. Biradha, IUCrJ 2015, 2, 523-533; c) A. Dey, S. Bera, K. Biradha Cryst Growth & Design. 2015, 15, 318; d) K. Maity, T. Kundu, R. Banerjee and K. Biradha CrystEngComm 2015, 17, 4439-4443.

A short CV of the Speaker

Kumar Biradha

Kumar Biradha received his PhD in Chemistry from the University of Hyderabad (Hyderabad, India) in 1997 under the supervision of Prof. G. R. Desiraju. Subsequently he did his postdoctoral research with Professors M. J. Zaworotko (Halifax, Canada) and M. Fujita (Nagoya, Japan). Currently he is working as a Professor at the Indian Institute of Technology, Kharagpur, India. He is the author of over 150 research publications which covers his research interests in supramolecular chemistry, crystal engineering, and materials chemistry. He has received Scopus young scientist award in chemistry for 2006 by Elsevier and became FRSC in 2010. He served as editorial board member of New Journal of Chemistry, R. Sc. (2008-2011) and served as co-editor for Acta Cryst. Sec-E in 2011. Currently he is Associate Editor of Crystal Growth & Design, ACS publications. Selected Important Contributions:

• K. Biradha, CrystEngComm, 2003, 374 • M. Sarkar, K. Biradha, CrystEngComm, 2004, 6, 310-314. • M. Sarkar, K. Biradha, Chem. Commun., 2005, 2229-2231. • K. Biradha, M. Sarkar, L. Rajput, Chem. Commun. 2006, 4169. • M, Sarkar, K. Biradha, Crystal Growth & Design, 2006, 6, 202-208. • M. Sarkar, K. Biradha Crystal Growth & Design 2007, 7, 1318-1331 • R. Santra, K. Biradha, CrystEngComm, 2008, 10, 1524-1526. • K. Biradha, A. Ramanan, J. J. Vittal, Crystal Growth & Design, 2009, 9, 2969-2970 • L. Rajput, V. V. Chernyshev, K. Biradha, Chem. Commun. 2010, 46, 6530 • R. Santra, K. Banerjee, K. Biradha, Chem.Commun. 2011, 47, 10740-10742. • S. Roy, S. Prakash, S. K. Ray, K. Biradha, Angew. Chem. Int. ed. 2012, 51, 12012. • S. Samai, K. Biradha, Chem. Mat. 2012, 24, 1165-1173. • K. Biradha, R. Santra, Chem. Soc. Rev 2013, 42, 950-967. • M. Garai, K. Biradha, Angew. Chem. Int. Ed. 2013, 52, 5548-5551; • S. Samai, P. Ghosh, K. Biradha, Chem.Commun. 2013, 49, 4181-4183; • G. Mukherjee, K. Biradha, Chem Comm. 2014, 50, 670-672; • S. Roy, A. Katiyar, S. Mondal, S. Ray, K. Biradha, ACS Applied Materials & Interfaces

2014, 6, 11493-11501.

METAL SULFUR NITROGEN BONDED COMPLEXES OF MANGANESE AND RHENIUM AND THEIR X-RAY CRYSTAL STRUCTURES

Md. Manzurul Karim, Md. Anwarul Hoque and Shafikul Islam Department of Chemistry, Jahangirnagar University, Savar, Dhaka-1342, Bangladesh. E- Mail : karim_ju1958@yahoo.com Abstract: Treatment of [M2(CO)10] (M = Mn, Re) with 2-mercaptothiazoline and 2-mercaptobenzimidazole, 2-Mercato-1-methylimidazole at room temperature in CH2Cl2 in presence of Me3NO gave novel dinuclear complexes [Mn2(µ-C3H4NS2)2(CO)6] (1) as orange crystals (28%) and [Mn2(µ-C7H5N2S)2(CO)6] (2) as red crystals (29%), [Re2(η1-C4H5N2SH)(CO)9] (3) as pale yellow crystals (37%). Similarly reactions of M2(CO)8(MeCN)2] (M = Mn, Re) with 2-mercaptobenzoxazole, trinuclear cluster complexes Mn3(CO)10(µ-SCNOC6H4)3 (4) as orange crystals(7%) and Re3(CO)12(µ-SCNOC6H4)3 (5) as orange crystals (10%) have been isolated; the former contains three 2-mercaptobenzoxazole ligands in three different bonding modes, while in the latter all three bridging Re centers by S, N-coordination, but the three rhenium atoms all have different coordination environments. All the compounds 1-5 were characterized by a combination of elemental analyses, IR 1H NMR and mass spectroscopic data. Structures of the compounds were unambiguously determined by single crystal X-ray diffraction studies.

1 2 3 4 5 References (1) Karim, M. M.*; Abser, M. N.; Miah, M. A.; Hoque, M. A.; Azad, A. K.; Khan, K. N.; J.

Bangladesh Chem. Soc, 2012, 25, 62. (2) Hoque, M. A. Islam, S.; Karim, M. M.* ; Ghosh, S.; Hogarth, G. Inorg. Chem. Commun., 2015, 54, 69. Acknowledgement The authors acknowledge Ministry of Education, Government of Bangladesh for financial support and Graeme Hogarth, University College London, for solving X-ray crystal structure of the compounds.

Md. Manzurul Karim Professor MD. MANZURUL KARIM did his B Sc Honours and M Sc degree from Jahangirnagar University, Dhaka, Bangladesh. He then joined at the Department of Chemistry, Jahangirnagar University, Savar, Dhaka as a lecturer in 1984. He was awarded Commonwealth Scholarship in the year 1986 and did his Ph. D. Degree from the University College London in 1989 under the supervision of Professor A. J. Deeming. He then returned home and started working at Jahangirnagar University. He had been promoted as a Professor in 1996. He obtained Alexander von Humboldt Fellowship in the year 1996 and did his post doctoral work at the University of Bayreuth, Germany with Professor H. G. Alt on Metallocene Chemistry for the polymerization of olefins. He was a visiting research scholar at the institute of Chemistry in Academia Sinica, Taiwan. He did research under AvH fellowship Programme last year for three months at the Institute of Chemistry in the University of Jena. His research interest is Coordination/Organometallic and Cluster Chemistry. Till now he has published about 62 papers in reputed journals. Some of them are listed below. Selected Important Contributions:

(1) Deeming, A. J.; Hardcastle, K. I.; Karim, M. M.; Inorg. Chem., 1992, 31, 4792. (2) Kabir, S. E.; Karim, M. M.; Kundu, K.; Bashirullah, S. M.; Hardcastle, K. I; J.

Organomet. Chem., 1996, 517, 155. (3) Azam, K. A.; Hossain, M. M.; Hursthouse, M. B.; Kabir, S. E.; Karim, M. M.; Malik,

K. M. A.; J. Organomet. Chem., 1997, 544, 23. (4) Raha, A. K.; Ghosh S., Karim M. M., Tocher, D. A.; Begum, N.; Sharmin, A.;

Rosenberg, E.; and Kabir S. E.; J. Organomet Chem., 2008, 693(24), 3613. (5) Raha, A. K.; Hassan, M. R.; Kabir, S. E.; Karim, M. M.; Sharmin A, Salassa, L.;

Rosenberg, E.; J. Cluster Sci., 2008, 19, 47. (6) Khaleque, M. A.; Azam, K. A.; Karim M. M.; Ghosh, S.; Hogarth, G.; Kabir, S. E.;

Aus. J. Chem., 2012, 65(7), 773. (7) Karim, M. M.; Hassan, M. R.; Abser, M. N.; Ghosh, N.; Alt, H. G.; Richards, I.;

Hogarth, G.; Polyhedron, 2012, 42(1), 84. (8) Abser, M. N.; Karim, M. M.; Kauser, A.; Parvin, R.; Molla, M. E.; Yeasmin, Z.;

Zoghaib, W. M.; Al-Rawahi, Z.; Carboni C.; Al-Said, G.; Mol. Cryst. Liq. Cryst., 2013, 571, 9.

(9) Hoque, M. A.; Islam, S.; Karim, M. M.; Ghosh, S.; Hogarth, G.; Inorg. Chem. Commun., 2015, 54, 69.

OPTIMIZATION OF INGAN/GAN MULTI QUANTUM WELL STRUCTURE FOR HIGH EFFICIENCY YELLOW–GREEN EMISSION.

Sakhawat Hussain1,2,3, Kaddour Lekhal1, Hyonju Kim-Chauveau1, Philippe Vennéguès1, Philippe De Mierry1 and Benjamin Damilano1

1Centre de Recherche sur l’Hétéro-Epitaxie et ses Applications, Centre National de la Recherche Scientifique, Valbonne 06560, France. 2Université de Nice Sophia Antipolis, Parc Valrose, 28 av. Valrose, 06108 Nice cedex 2, France. 3Department of Electrical and Electronic Engineering, University of Dhaka, Dhaka-1000, Bangladesh. E-mail: sakhawat@du.ac.bd

III-N semiconductor light emitting diodes (LEDs) have a great importance in optoelectronics due to their large emission coverage including visible spectrum. Thanks to that, III-N semiconductors are the material of choice for solid state lightning with white LEDs. The fabrication of III-Nitrides -based yellow-green LEDs requires the growth of high indium content quantum wells (QWs). In the metal organic vapor phase epitaxy growth process, the top layers of the LED structure are grown at higher temperature than that of QWs. This high temperature deposition causes the degradation of the physical properties of the QWs, which eventually have impact on the overall efficiency of yellow-green LEDs. In this work, we have tried to design a high efficiency InGaN/GaN multi-quantum well structure for yellow-green emission by metal organic chemical vapor deposition. Different approaches have been implemented to achieve green-yellow emission: high indium concentration (≥ 20%) with low InGaN QW thickness (< 3 nm) or vice versa. Atomic force microscopy, X-ray diffraction, room temperature photoluminescence (RTPL) and mainly transmission electron microscopy (TEM) techniques have been used to characterize these structures. The QW thicknesses and indium compositions have been determined by digital processing of lattice fringes in cross-sectional high resolution TEM images. An original treatment has been developed to analyze quantitatively InGaN QW thickness fluctuations. The structural analysis of multiple QWs has shown that structural defects are created within the QWs. The nature and the density of these defects have been determined and different mechanisms for their formation have been proposed. It is found that different conflicting parameters are involved to achieve a higher efficiency QWs emitting in the green-yellow spectrum range, thus a good compromise between the parameters should be obtained. The authors would like to thank Erasmus Mundus Mobility with Asia (EMMA) scholarship program. This work is also partly funded by the French agency for research ANR 2011 EMMA 004 01 project “DELMONO”.

Sakhawat Hussain I am working as an Assistant Professor at the Department of Electrical and Electronic Engineering, University of Dhaka, Bangladesh. I have obtained my PhD degree from University of Nice-Sophia Antipolis (UNS), France in year 2014. My PhD research field was in Opto-electronics and I worked with a research group in the lab known as Centre de Recherche sur l’Hétéro-Epitaxie et ses Applications, Centre National de la Recherche Scientifique (CRHEA-CNRS) for the improvement of light emitting diode (LED) structure emitting in green-yellow spectrum range. Earlier, I have obtained my B.Sc and M.S degrees from University of Dhaka. Selected Important Contributions:

1. (1) K. Lekhal, B. Damilano, H. T. Ngo, D. Rosales, P. De Mierry, S. Hussain, P. Vennéguès and B. Gil, ‘Strain-compensated (Ga,In)N/(Al,Ga)N/GaN multiple quantum wells for improved yellow/amber light emission’, Appl. Phys. Lett. 106, 142101 (2015)

2. Sakhawat Hussain, Kaddour Lekhal, Hyonju Kim-Chauveau, Philippe Vennéguès, Philippe De Mierry and Benjamin Damilano, ‘Capping green emitting (Ga,In)N quantum wells with (Al,Ga)N: impact on structural and optical properties’, Semicond. Sci. Technol. 29 (2014), 035016.

3. Benjamin Damilano, Hyonju Kim-Chauveau, Eric Frayssinet, Julien Brault, Sakhawat Hussain, Kaddour Lekhal1, Philippe Vennéguès, Philippe De Mierry and Jean Massies, ‘Metal Organic Vapor Phase Epitaxy of Monolithic Two-Color Light-Emitting Diodes Using an InGaN-Based Light Converter’, Applied Physics Express 6 (2013), 092105

X-RAY STRUCTURE: A PATHFINDER FOR THE EXPLORATION OF CHEMICAL AND PHYSICAL PROPERTY OF METAL ORGANIC FRAMEWORKS Debajyoti Ghoshal Department of Chemistry, Jadavpur University, Jadavpur, Kolkata, 700 032, India e-mail: dghoshal@chemistry.jdvu.ac.in Coordination polymers which are also known as metal organic frameworks have become hot area of research in the inorganic and materials science due to their versatile structural features, high surface area with predesigned molecular dimensions. Such attractive structural properties make them ‘holy grail’ in state-of-the art material research for various functional applications particularly in gas storage, separation, sensing, controlled drug delivery, heterogeneous catalysis, proton conductivity, etc. Although it is well known that the X-ray structure is the one of the most important tool for the characterization of such material, but side by side the X-ray structure can instigate new area of exploration for such materials. Our recent studies revealed that an unique framework assisted perchlorate to chloride transformation occur which is explored only after getting the X-ray crystal structure.1 There are also other examples starting from selective gas adsorption2-4 to dynamic metal-organic supramolecular isomers which show hydrolytic conversion of two-dimensional (2D) to three-dimensional (3D) isomer that are also originated with the idea accumulated from the detailed X-ray structure. This talk will try to explore some not so traditional properties of porous coordination polymers that is originated and explored due to the observation come from the both single crystal X-ray structure and powder X-ray diffraction. References (1) Bhattacharya, B.; Dey, R.; Maity, D. K.; Ghoshal, D. CrystEngComm 2013, 15, 9457. (2) Dey, R.; Haldar, R.; Maji, T. K.; Ghoshal, D. Cryst. Growth Des. 2011, 11, 3905. (3) Bhattacharya, B.; Haldar, R.; Dey, R.; Maji, T. K., Ghoshal, D. Dalton Trans. 2014, 43, 2272. (4) Bhattacharya, B.; Dey, R.; Pachfule, P.; Banerjee, R.; Ghoshal, D. Cryst. Growth & Des. 2013, 13, 731. Acknowledgments We are acknowledge SERB (DST), CSIR and DRDO for the research funding. UGC and JU are also acknowledge for the infrastructural support.

Debajyoti Ghoshal Debajyoti Ghoshal did his Ph.D. on 2005 from Department of Inorganic Chemistry, Indian Association for the Cultivation of Science under the supervision of Prof. Nirmalendu Ray Chaudhuri. After that he awarded Alexander von Humboldt postdoctoral fellowship and worked with Prof. H. W. Roeskey at Institut für Anorganische Chemie, Universität Göttingen, Germany. Presently he is working as an Assistant Professor in Department of Chemistry Jadavpur University, Kolkata. He also experienced as a visiting researcher of Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore, India and Anorganische Chemie, Bochum University, Germany. He is a Life member of Indian Association for the Cultivation of Science and Chemical Research Society of India. His current research interest focused on porous metal organic framework, conducting metal organic framework and non-covalent interactions in inorganic crystal engineering. Selected Important Contributions: (1) Bhattacharya, B.; Haldar, R.; Maity, D. K.; Maji, T. K.; Ghoshal, D. CrystEngComm 2015, 17, 3478. (2) Bhattacharya, B.; Layek, A.; Alam, M.; Maity, D. K.; Chakrabarti, S.; Ray, P. P.; Ghoshal, D. Chem. Commun. 2014, 50, 7858. (3) Dey, R.; Bhattacharya, B.; Pachfule, P.; Banerjee, R.; Ghoshal, D. CrystEngComm 2014, 16, 2305. (4) Bhattacharya, B.; Maity, D. K.; Dey, R.; Ghoshal, D. CrystEngComm 2014, 16, 4783. (5) Bhattacharya, B.; Haldar, R.; Dey, R.; Maji, T. K., Ghoshal, D. Dalton Trans. 2014, 43, 2272. (6) Bhattacharya, B.; Dey, R.; Pachfule, P.; Banerjee, R.; Ghoshal, D. Cryst. Growth & Des. 2013, 13, 731. (7) Dey, R.; Haldar, R.; Maji, T. K.; Ghoshal, D. Cryst. Growth Des. 2011, 11, 3905.

CRYSTALLOGRAPHY WITH X-RAY POWDER DIFFRACTION: NEW OPPORTUNITY IN STRUCTURAL CHEMISTRY Alok K. Mukherjee, Department of Physics, Jadavpur University, Kolkata-700032 E-mail: akm_ju@rediffmail.com Single crystal X-ray diffraction is undoubtedly the most powerful tool for elucidating the crystal and molecular structures of crystalline materials. The requirement for single crystal samples, however, imposes a natural limitation on the scope of this technique, as many materials of interest can not be prepared as single crystals of sufficient size and quality, but are instead available only as microcrystalline powders. Structural characterization of such materials relies heavily on the availability of techniques to determine crystal structures directly from X-ray powder diffraction data. Crystal structure determination from laboratory powder diffraction data is much more challenging than that of its single-crystal counterpart [1] because, firstly, the information content of a powder diffractogram is markedly inferior and, secondly, this information is considerably more difficult to extract due to systematic and random overlapping of peaks in the diffraction pattern. Consequently, compared to 758844 single crystal structures in the CSD (February, CSD 2015 release), there are only 3326 (~ 0.4%) reports of powder diffraction studies and the number of structures that have been solved from X-ray powder data is much less than 0.4%. The general methodology for structure determination from X-ray powder diffraction data consists of several sequential steps and success in a latter step depends on the previous step being correct [2]. The art of structure determination from X-ray powder diffraction lies in finding a viable path through a maze of possibilities. The present talk will highlight different aspects of structure determination from laboratory X-ray powder diffraction data with examples of some successful applications in this endeavor for molecular compounds. References:

(1) Harris, K. D. M.,Tremayne, M., Kariuki, B. M. Angew. Chem., Int. Ed. 2001, 40, 1626. (2) Mukherjee, A. K. Journal of the Indian Inst. Sci. 2007, 87, 221.

Dr. Alok K. Mukherjee studied Physics (Hons) in the Scottish Church College,Kolkata during 1966-1969. After M.Sc. (Physics) in 1971 and Ph.D. (Sc) in 1977 from Visva-Bharati University, Santiniketan, he joined National Physical Laboratory, New Delhi in 1977. In 1981, he moved to Jadavpur University, Kolkata, from where he retired as a Professor, Department of Physics in May, 2015. Dr. Mukherjee worked in different leading crystallography laboratories in England. The research activities of Prof. Mukherjee cover several aspects of structural crystallography with present emphasis on the application of X-ray powder diffraction for solving crystal structures of molecular solids and microstructural characterization of mineral deposits in human kidney and gall-bladder stones. He is in the editorial board of different national and international journals and at present a member of the Executive Committee of International Union of Crystallography Commission on Powder Diffraction. He has published more than 130 research papers in various international journals.

NITRIDE / OXIDE THIN FILMS FROM CVD, PVD, AND SOL-GEL TECHNIQUES AND THEIR APPLICATIONS TO ENVIRONMENTAL POLLUTION CONTROL M. N. Uddin, Department of Chemistry, Shahjalal University of Science and Technology, Bangladesh, E-mail: nizam3472@yahoo.com M. Nagano, Department of Chemistry, Saga University, Japan Y. Baba and Y. Shimoyama,Japan Atomic Energy Agency, Tokai-mura, Ibaraki, Japan

Y. S. Yang, Pusan National University, Pusan, South Korea E. Bengu, Department of Chemistry, Bilkent University, Ankara, Turkey Thin film deposition of different materials plays an important role in a large number of manufacturing, production, environment and research applications. Techniques employed to perform these processes differ in degree of sophistication, application and quality of film produced. Carbon nitride (C3N4), new hypothetical material with metastable character and extreme hardness (comparable to or larger than that of diamond) were successfully deposited from different sources (NH3+CH4, 1H-1,2,3-triazole, and hexamethylenetetramine (HMTA)) using plasma enhanced chemical vapor deposition (CVD). On the other hand well-crystallized stoichiometric C3N4 nanostructures with clear hexagonal morphology and size range of 50–500 nm were also synthesized on stainless steel substrates from; HMTA, urea, and triethylene tetramine using a low cost and simple sol-gel method. This significant achievement of the production of nano-crystalline C3N4 from inexpensive sources and simple methods at ambient pressure opens up a door for its low cost production on stainless steel for a wide range of applications. Irrespective of the sources with different chemical structures we got similar product, which implies that different sources of carbon and nitrogen might be used with our methods of sol–gel deposition. If a stable B–C–N hybrid with graphite-like structure is synthesized, it may have semiconducting properties with a variable band gap. Thus this material is interesting for applications in electronic and luminescent devices. We synthesized and characterized oriented graphite-like B–C–N hybrid thin films from the implantation of borazine ion plasma (physical vapor deposition, PVD) in highly oriented pyrolytic graphite. We have also checked bias in bonding behavior among boron, carbon, and nitrogen atoms in ion implanted a-BN, a-BC, and diamond like carbon films within the B-C-N matrix. Thin films of different co-doped TiO2 were also synthesized to check their application for environmental pollution control. Computational studies were conducted on several atomic models describing various doping schemes. The results showed that doping with B and/or N induced a) band gap narrowing (red shift of the absorbance spectra to the visible light region) and b) formation of mid-gap states especially in case of N interstitial model. These results also supported the observed synergistic effects of B/N doping for higher photo-degradation activity. These computational findings supported our experimental data by indicating the possible routes that can be responsible for the improvement of the photo-catalytic activity in TiO2 due to B and N doping. (1) Uddin, M. N. et al, J. Inclusion Phenomena and Macrocyclic Chem., 2015, 82-1, 229. (2) Uddin, M. N.; Yang, Y. S., Thin solid Films, 2013, 548, 27. (3) Uddin, M. N.; Yang, Y. S., J. Mater. Chem., 2009, 19, 2909. (4) Uddin, M. N.et al. J. Appl. Phy., 2006, 99, 084902-1. (5) Uddin, M. N.; Fouad, O. A.; Yamazato, M.; Nagano, M., Appl. Surf. Sc., 2005, 240, 120. Acknowledgments: This research was partly funded by i) University grant commission, Bangladesh, ii) Shahjalal University of Science and Technology, iii) Ministry of Science and Technology, Bangladesh, and iv) The World Academy of Sciences (ref. 13-120RG/CHE/AS_I; UNESCO FR: 3240277720).

Professor Md. Nizam Uddin, PhD Prof. M. Nizam Uddin earned his Bachelor of Science (Honors) in Chemistry and Master of Science in Physical Chemistry from Shahjalal University of Science & Technology (SUST), Bangladesh in 1993 and 1994, respectively. He received his Master of Philosophy in Chemistry from Bangladesh University of Engineering & Technology, Bangladesh in 1999. Finally he carried out his Master of Engineering in Applied Chemistry and Ph. D. in Energy and Materials Science from Saga University, Japan in 2002 and 2005, respectively. Prof. Uddin received Vice Chancellor Award for Bachelor results. He obtained Japanese Government Scholarship (Monbusho), Research Student Fellowship of Japan Atomic Energy Agency and Nakajima Peace foundation scholarship/Fellowship of Japan. He also received fellowships from Korea Research Foundation (KRF) at Pusan National University, S. Korea, and NANOKAP fellowship from Turkey Defence Ministry at Bilkent University, Turkey. Prof. Uddin has been serving as faculty member (lecturer, Asst. Prof., Assoc. Prof and now Prof.) at SUST since 1996. In the mean time he also served as Postdoc fellow and Research/Visiting Professor in Japan, S. Korea, Turkey and USA He is currently working on the synthesis of Nitride/Oxide Thin films from chemical vapor deposition, physical vapor deposition, and sol-gel techniques and their applications to environmental pollution control and materials science. Selected Important Contributions: (1) Uddin, M. N. et al, J. Inclusion Phenomena and Macrocyclic Chem., 2015, 82-1, 229. (2) Uddin, M. N. et al, J. Photochem. Photobiol. A: Chem., 2013, 254, 25. (3) Uddin, M. N.; Yang, Y. S., Thin solid Films, 2013, 548, 27. (4) Genisel, M. F.; Uddin, M. N. et al, J. Appl. Phys., 2011, 110, 074906. (5) Uddin, M. N.; Yang, Y. S., J. Mater. Chem., 2009, 19, 2909. (6) Uddin, M. N.et al., J. Crystal Growth, 2009, 311, 3528. (7) Uddin, M. N.et al. J. Appl. Phy., 2006, 99, 084902-1. (8) Uddin, M. N. et al., Appl. Surf. Sc., 2005, 240, 120. (9) Uddin, M. N.et al., J Vacuum Sc. Techn. A, 2005, 23- 3, 497. (10) Uddin, M. N.et al., Appl. Surface Sc., 2005, 241, 246. (11) M. Huque; M. N. Uddin, J Indian Chem. Soc., 2005, 82, 333. (12) Uddin, M. N.et al., Thin Solid Films, 2004, 464-465, 170.

STUDIES OF PROTEIN-PROTEIN INTERACTIONS TO UNRAVEL THE SIGNALING PATHWAY OF BRCA1 Ashok K Varma, Tata Memorial Centre, Advanced Centre for Treatment, Research and Education in Cancer, Kharghar, Navi Mumbai - 410 210, INDIA. Email: avarma@actrec.gov.in ABSTRACT BRCA1 (Breast Cancer Susceptibility gene 1), is a 220 KDa protein, encoded by the genes present on the chromosome 17 q21 with 24 exons. BRCA1 is a tumor suppressor protein and play a crucial role in cell- cycle check point control, cell signaling and DNA repair process. Familial inheritance of breast and ovarian cancer is due to mutations identified on different parts of BRCA1 gene. BRCA1 has different reported functional domains like N- terminal RING domain and tandem repeats of BRCT domain at C- terminal. Intrinsically unstructured regions have been reported at the central part of BRCA1. The RING domain of BARD1 interacts with RING domain of BRCA1, and increases the ubiquitin ligase activity. However, few mutations reported in the RING finger domain abrogate the BRCA1- BARD1 complex formation. The C-terminal region of BRCA1 has been reported to recognises phospho-serine residue containing consensus sequence of pSer-X-X-Phe ( pSer - phosphoserine, X-any amino acids). The BRCA1 BRCT domain interacts with a number of proteins including CtIP, BACH1, and CCDC98/Abraxas. Considering the role of structural biology in clinical management and structure guided drug design, scientists/clinicians started exploring the possibilities of characterizing the pathogenicity of mutations discovered from larger cohort of patients for genetic counselling. Different mutations discovered in BRCA1 BRCT domain have been characterised. The protein-protein interactions (PPIs) with the binding partners of BRCA1 like RAP80, MERIT40, ABRAXAS have been explored. To our conclusion, the pathogenic mutations discovered in different proteins are impairing the PPIs and further abolishing the signalling pathways. This three dimensional binding interface provides novel opportunity for structure guided drug design.

Ashok K Varma Professional Experiences My long time research experience at Harvard Medical School/ Beth Israel Deaconess Medical Center (HMS/BIDMC), Boston Biomedical Research Institute (BBRI), Boston , USA A.I.I.M.S New Delhi, Central University, Hyderabad India in molecular biology, protein biochemistry and structural biology prepared me for a serious research platform in which I maintain an active & result oriented research laboratory i.e VARMA LAB at ACTREC-TMC. My laboratory (Varma Lab, ACTREC) is young, enthusiastic and highly motivated to perform better research. Since the inception of my faculty position ( May 2007 at ACTREC, TMC), my group has been characterizing different functionally important cancer- related proteins. So far, three students has submitted their Ph D thesis and ~ 60 M. Tech/ M.Sc./M. Phil student has submitted their dissertation under my supervision. Different funding agencies DST, DBT, has funded different projects Below are the selected publications...

1. Lumbini R Yadav, S Rai, MV Hosur, Ashok K Varma, J Biomol Struct Dyn. (2015) Jan 23:1-10.

2. Yadav LR, Rai S, Hosur MV, Varma AK. J Biomol Struct Dyn. 2015 Jan 23:1-10. 3. Lumbini R Yadav, Mahamaya N. Biswal, Vikrant, M.V Hosur, Ashok K Varma,

Biochem Biophys Res Commun (2014) 18;450(1):283-8. 4. Vikrant, Kumar R, Siddiqui Q, Singh N, Waghmare SK, Ashok K Varma. J Biomol

Struct Dyn. (2014) 8:1-11. 5. Vikrant, Ulka Sawant, Ashok K Varma, (2014). Biochem Biophys Research

Communication. 446, 1139–1144 6. Dilip C. Badgujar, Ulka Sawant,Vikrant, Lumbini Yadav, M. V. Hosur and Ashok K.

Varma, Acta Cryst. (2013). F69, 1401–1404 7. Vikrant, Rajan Kumar, Lumbini R Yadav, Pallavi Nakhwa, Sanjeev K Waghmare,

Ashok K Varma PLoS ONE 8(9):e72707 (2013) 8. Patil R, Das S, Stanley A, Yadav L, Sudhakar A, Ashok K. Varma, PLoS ONE, 5(8);

e12029, (2010). 9. Günther S, Ashok K. Varma, Moza B, Kasper KJ, Wyatt AW, Zhu P, Rahman AK, Li

Y, Mariuzza RA, McCormick JK, J Mol Biol. 371(1):210-21, 2007. 10. Birrane G, Ashok K. Varma, Soni A and Ladias JA: Crystal structure of the BARD1

BRCT domains. Biochemistry. 46(26):7706-12,2007. 11. Brouillard JN, Günther S, Ashok K. Varma, Gryski I, Herfst CA, Rahman AK, Leung

DY, Schlievert PM, Madrenas J, Sundberg EJ and McCormick JK. J Mol Biol. 367(4):925-34, 2007.

12. Moza B, Ashok K. Varma, Buonpane RA, Zhu P, Herfst CA, Nicholson MJ, Wilbuer AK, Seth NP, Wucherpfennig KW, McCormick JK, Kranz DM and Sundberg EJ, EMBO J. 26(4):1187-97, 2007.

13. Ashok K. Varma, Brown RS, Birrane G and Ladias JA, Biochemistry. 44(33):10941-6, 2005.

THERAPEUTIC EVALUATION OF LECTINS AND GREEN NANOPARTICLES FROM PLANT SOURCES AS ANTICANCER AND ANTIMICROBIAL AGENTS Syed Rashel Kabir Department of Biochemistry and Molecular Biology, University of Rajshahi, Rajshahi-6205, Bangladesh E-mail: rashelkabir@ru.ac.bd; rashelkabir@gmail.com Worldwide study shows that cancer is one of the leading causes of dead worldwide after cardiovascular diseases. Another serious problem in all developing countries is drug resistance. To solve these problems researchers are trying to develop alternative natural medicine by using various plant extracts, therapeutic proteins, snake venom etc. One group of the therapeutic proteins is lectin that is glycoprotein in nature found in all types of living organisms, either in soluble or in membrane-bound form that specifically recognize cell surface molecules with at least two binding sites to carbohydrates. Plant lectins represent a unique group of proteins with potent biological activity. They occur in foods like wheat, corn, tomato, potato, peanut, kidney bean, banana, pea, lentil, soybean, mushroom, rice etc. Recently, some lectins were isolated in our laboratory from edible plant sources (e.g. snake guard, Nymphaea nouchali, Kaempferia rotunda, Pesum sativum, Potato, pointed guard etc.) and subjected to study the antibacterial effect against some pathogenic bacteria and anticancer effect against Ehrlich ascites carcinoma cells (EAC) in vitro and in vivo in mice. Those lectins decreased the EAC cells growth potentially and few of them caused program cell death (apoptosis) in EAC cells. But only in few cases we obtained remarkable antibacterial and antifungal activities. More recently, metal nanoparticles have become increasingly important in the biomedical and pharmaceutical area as alternative antimicrobial and anti-cancer agents. Most effective nanoparticles were made from noble metals, especially from silver, gold and platinum. Among them silver has attracted due to its disinfecting nature and tremendous medicinal value to culinary items as well as showing enormous effectiveness as an anticancer agents. It was reported that in small concentrations of silver is safe for human cells, but lethal for bacteria and viruses. A number of techniques are available for the synthesis of silver nanoparticles (NPs) such as chemical, electrochemical, radiation, photochemical and biological methods. The chemical and physical methods are usually slow, have a high cost and involve use of chemical reducing agents pose an environmental burden. The green synthesis of silver NPs gained a lot of interest due to the usage of natural resources, rapidness, eco-friendliness and benignancy. The biological methods of silver NPs synthesis include utilization of plant extracts and microorganisms (bacteria and fungi). There is no need to use specific culture media and culture conditions for the synthesis of plant extract mediated silver nanoparticles synthesis. So it is faster, cheaper and can be used for large scale NPs synthesis. Moreover plant mediated synthesis of NPs do not produced any toxic byproducts. In the plant (fruits, bark, root and leaf) various biomolecules such as enzymes, proteins, flavonoids, terpenoids, and cofactors are present that act as reducing and capping agents of silver. We have already synthesized silver nanoparticles from lemon, strawberry, grape and some herbal extracts and characterized by UV-visible spectroscopy, Atomic force microscope (AFM), field emission electron microscopy (FETEM), fourier transform infrared (FT-IR) spectroscopy, tharmogravimetric analysis (TGA) and energy dispersive X-ray (EDX). These particles showed potent antibacterial, antifungal and antiproliferative effects against rat cancer cell line (Ehrlich ascites carcinoma) in vitro. Now we have concentrated to check the antitumor properties in vivo

in mice. The anticancer effects depending on the functional group of the silver nanoparticles, so we are expecting different results in case of different fruits/herbal mediated nanoparticles.

Syed Rashel Kabir Short Biography Dr. Syed Rashel Kabir working as an Associate Professor at the Department of Biochemistry and Molecular Biology, Rajshahi University, Bangladesh. He had completed his B.Sc (Honors) and M.Sc degree from the said department. He secured first class with the first position in both examinations and received the best student awards. He achieved Ph.D degree in 2004 from the Tohoku University, Japan under Monbusho Scholarship and in April 1, 2004 joined as a stuff member at the Tohoku University. He left the job in January 2005 and joined as a faculty member at the Department of Biochemistry and Molecular Biology, Rajshahi University in February 1, 2005. Few months later he went to Tohoku University again and completed postdoctoral research training in 2007 under JSPS postdoctoral fellowship. He was awarded as the best scientist in the field of Clinical, Pharmaceuticals and Medical Sciences section in 2011 from the University Grants Commission of Bangladesh. He has presented research works in national and international conferences and working as a member of many professional organizations. He is also working as an editorial member of few journals publishing from India, USA and China. Currently he is directly supervising three Ph.D, two M.Phil and four M.Sc level students and one Ph.D, one M.Phil and eight M.Sc students (thesis group) already got their degrees as well.His resech fields are Protein Biochemistry, Nanomedicine, Cell Biology & Anticancer drug discovery and his research interests are 1. Structure-function relationships of novel antimicrobial and therapeutic proteins. 2. Identification of novel anti-cancer agents (Lectins, snake venom and plant extracts) and their effects on normal and cancer cells. 3. Green synthesis of silver nanoparticles from plant sources and it’s therapeutic evaluation as antibacterial & anticancer agent. His resech works were published in 22 national and international Journals and he wrote a book chapter. Selected Important Contributions:

(1) Kenmochi E, Kabir S R, Ogawa T, Naude R, Tateno T, Hirabayashi J, and Muramoto K. Molecules, 2015, 20, 987-1002.

(2) Kabir S R, et al. Applied Biochemistry and Biotechnology, 2015, 175, 2616-28 (3) Islam F, Khanam J A, Khatun M, Zuberi N, Khatun L, Kabir S R, Reza M A, Ali M M,

Rabbi M A, Gopalan V, Lam A K-Y. Phytotheraphy Research, 2015, 29, 573-81. (4) Kabir S R, Reza M A. Applied Biochemistry and Biotechnology, 2014, 172, 2866-

2876. (5) Hasan I, Ozeki Y, Kabir S R. Indian Journal of Biochemistry & Biophysics, 2014, 51,

142-148. (6) Kabir S R, Nabi M M, Haque A, Zaman R U, Mahmud Z H, Reza M A. Phytomedicine

2013, 20, 1288-1296.

STRUCURAL BASIS OF GPCR DESENSITIZATION Arun K. Shukla Department of Biological Sciences and Bioengineering, Indian Institute of Technology, Kanpur 208016, India. Email: arshukla@iitk.ac.in G Protein-Coupled Receptors (GPCRs) represent the largest family of cell surface receptors in the human genome and they are involved in almost every physiological and pathophysiological processes in the human body. Currently, about half of the marketed medicines target this class of receptors including several blockbusters such as opiates, α- and β- blockers, antihistamines and angiotensin receptor blockers. However, the structural basis of activation and regulation of these receptors has just started to emerge and still remains in its infancy. The functions of G-protein coupled receptors (GPCRs) are primarily mediated and modulated by the heterotrimeric G proteins, the G-protein coupled receptor kinases (GRKs), and the β-arrestins. G proteins mediate activation of second messenger generating enzymes and other effectors, GRKs phosphorylate activated receptors, and β-arrestins subsequently bind phosphorylated receptors and cause receptor desensitization. However, β-arrestins activated by their interaction with phosphorylated receptors can also mediate receptor endocytosis and G protein independent signaling. Despite their central role in regulation and signaling of GPCRs, a structural understanding of β-arrestin activation and interaction with GPCRs is still lacking. My talk will essentially focus on our efforts to understand the biophysical and structural basis of β-arrestin mediated regulation and non-canonical signaling of GPCRs. I’ll present our research findings pertaining to the conformational switching in β-arrestins that underlies non-canonical GPCR signaling, activation mechanism of β-arrestin upon interaction with GPCRs as revealed by X-ray crystallography and the first snapshot of a GPCR-β-arrestin complex as visualized by Electron Microscopy. I’ll also discuss how these findings not only provide novel insights in to GPCR regulation and signaling but also offer unique translational opportunities. 1. Ghosh, Kumari, Jaiman and Shukla*, Nature Reviews Molecular Cell Biology, 2015, Feb;16(2):69-81. 2. Ghosh, Kumari and Shukla*, Cell, 2014, Dec 18;159(7):1712, 1712.e1. 3. Shukla*, Singh and Ghosh, Trends in Biochemical Sciences, 2014, Dec;39(12):594-602. 4. Shukla et al., 2014, Nature, 2014, Aug 14;512(7513):218-22. 5. Shukla et al., 2013, Nature, 2013, May 2;497(7447):137-41.

Dr. Arun K. Shukla Assistant Professor Department of Biological sciences and Bioengineering, IIT Kanpur Intermediate Fellow of Wellcome Trust DBT India Alliance Research experience Ph.D. with Prof. Michel (Nobel Laureate, 1988) at Max Planck Institute and post-doctoral research with Prof. Lefkowitz (Nobel Laureate, 2012) and Prof. Kobilka (Nobel Laureate, 2012) at Duke University. Current research program is focused on understanding the structure, function and signaling of selected G Protein-Coupled Receptors (GPCRs), the largest class of drug targets in the human genome. Publications (selected from 33, *indicates corresponding author, total citations >1800, h-index = 20) 1. Ghosh, Kumari, Jaiman and Shukla*, Nature Reviews Molecular Cell Biology, 2015, Feb;16(2):69-81. 2. Ghosh, Kumari and Shukla*, Cell, 2014, Dec 18;159(7):1712, 1712.e1. 3. Shukla*, Singh and Ghosh, Trends in Biochemical Sciences,2014, Dec;39(12):594-602. 4. Shukla et al., 2014, Nature, 2014, Aug 14;512(7513):218-22. 5. Shukla et al., 2013, Nature, 2013, May 2;497(7447):137-41. Editorial activities Guest editor for Methods in enzymology(Elsevier), Methods in Cell Biology (Elsevier), European Journal of Pharmacology(Elsevier), Current Opinion in Structural Biology(Elsevier) and Editorial board member of PLOS ONE. Awards and honors Innovative Young Biotechnologist Award, 2015 (DBT, India), Prof. Ratna Phadke Award, 2014 (Indian Biophysical Society, India), Intermediate Fellowship, 2014 (Wellcome Trust DBT India Alliance), Young Scientists Award, 2013 (American Society for pharmacology and Experimental Therapeutics, USA)

EXPLOITING SUPRAMOLECULAR SYNTHONS IN DESIGNING SUPRAMOLECULAR GELATORS FOR DRUG DELIVERY Parthasartahi Dastidar, Department of Organic Chemistry, Indian Association for the Cultivation of Science, 2A2B, Raja S C Mullick Road, Jadavpur, Kolkata – 700032. e-mail: ocpd@iacs.res.in Conventional drug delivery system requires a delivery vehicle that is usually made up of polymer, micelles, vesicles etc. and it faces various impediments like challenges involving cytotoxicity of the vehicle, drug loading into the vehicle and its efficient release into the affected site etc. Considering this, a new approach is being proposed wherein a drug molecule is converted into supramolecular gel which can then be applied to the affected site topically (both hydro- and organogels) or subcutaneously (hydrogels) thereby getting rid of the vehicle and delivering the drug itself (self-delivery). By exploiting the lessons learnt in our decade long endevour in designing supramolecular gelators based on supramolecular synthon rationale, we have recently undertaken an ambitious drug delivery research project that aims at developing drug based supramolecular gelators for self-delivery applications. This talk will highlight our recent efforts in converting various anti-inflammatory drugs like non-steroidal-anti-inflammatory-drugs (NSAIDs), anti-allergic drug etc. into supramolecular gelators and their applications both in vitro and in vivo (Scheme 1)

1. Dastidar, P. Chem. Soc. Rev., 2008, 37, 2699–2715. 2. Majumder, J.; Rani Das, M.; Deb, J.; Jana, S. S.; Dastidar, P. Langmuir 2013, 29,

10254_10263. 3. Majumder, J.; Deb, J.; Das, M. R.; Jana, S. S.; Dastidar, P. Chem. Commun. 2014, 50,

1671. 4. Roy, R.; Deb, J.; Jana, S. S.; Dastidar, P. Chem. Asian J. 2014, 9, 3196 – 3206. 5. Roy, R.; Deb, J.; Jana, S. S.; Dastidar, P. Chem. Eur. J. 2014, 20, 15320 – 15324

(communication). 6. Majumder, J.; Pavani, Y.; Dastidar, P. Org. Biomol. Chem., 2015, 13, 2300–2309. 7. Majumder, J.; Deb, J.; Husain, A.; Jana, S. S.; Dastidar, P. J. Mat. Chem. B. 2015,

ASAP.

8. Parveen, R.; Dastidar, P. Chem. Asian J. 2015, in press. PD thanks DBT, New Delhi for financial support (CEIB project BT/01/CEIB/11/V/13).

Dr. Parthasarathi Dasitdar Parthasarathi Dastidar received his PhD degree from Indian Institute of Science, Bangalore, in 1994. After a few postdoctoral stints in Tel-Aviv (Israel), UNAM (Mexico) and Wayne State University (USA), he joined CSMCRI, Bhavnagar, India, in 1998 as a Scientist and moved to the Dept. of Organic Chemistry, IACS, Kolkata, India, where he is currently serving as a professor. He was an invited JSPS fellow at Osaka University, Japan, during 2004. His research interests include crystal engineering, Low molecular organic gelators (LMOGs), coordination polymers, pharmaceutical co-crystals, drug delivery etc. He also serves as a co-editor of Acta Crystallographica Section E since 2009. (1) Adarsh, N. N.; Dastidar, P. Chem. Soc. Rev., 2012, 41, 3039–3060. (2) Dastidar, P. Chem. Soc. Rev., 2008, 37, 2699–2715.

ULTRA-FAST TUNABLE PHOTONIC HYDROGELS BY MODULATING MULTI-LAMELLAR STRUCTURE M. A. Haquea,b, Y. Yueb, T. Kurokawab, and J. P. Gongb, aDepartment of Chemistry, University of Dhaka, Dhaka-1000, Bangladesh; bFaculty of Advanced Life Science, Hokkaido University, Sapporo 060-0810, Japan Email: anamul@du.ac.bd Photonic crystals are materials made from nanoscale periodic structures that cause Bragg diffraction to light of specific wavelength, producing color. Tunability photonic crystals in the visible region are of great interest for controlling light diffraction. Mechanochromic photonic materials are periodically structured soft materials designed with a photonic stop-band that can be tuned by mechanical forces to reflect specific color. Soft photonic materials with broad color tunability and fast color switching are invaluable for application. A novel photonic hydrogel has been developed by combining bilayer-based lamellar structure of a self-assembled polymer surfactant and polymer network of conventional hydrogel. The hybrid hydrogel system contains macroscopic, single-domain (1D), periodical stacking of integrated microscopic lamellar bilayers inside the polymer matrix of the hydrogel. This hydrogel is synthesized by combining the self-assembly process of surfactant-like molecules (equilibrium chemistry) and the mechanical shear to the precursor solution of the gel (non-equilibrium chemistry). The gel was synthesized in a one-pot polymerization from a precursor solution containing polymerizable surfactant (dodecyl glyceryl itaconate: DGI), acrylamide, and cross-linker. By applying shear flow to the precursor solution, lamellar bilayers of self-assembled DGI were aligned in one direction parallel to the substrate surface. The polymerized lamellar bilayers were stacked periodically and entrapped in the polyacrylamide matrix to give a hydrogel with 1D photonic crystal structure. Periodical stacking of the bilayers in the hydrogel selectively diffract visible light to exhibit magnificent structural color. Due to the uniaxial orientation of the bilayer, the hydrogel possesses superb functions that have never been realized before, such as the one-dimensional swelling, anisotropic Young’s modulus, anisotropic molecular permeation, and diffusion. Furthermore, the hydrogel exhibits excellent color tuning ability over a wide spectrum range by mechanical stimuli. The single-domain lamellar bilayer not only diffract light, but also serves as reversible sacrificial bonds that dissociates upon deformation, exhibiting large hysteresis as an energy dissipation mechanism, which gives the gel high tensile strength and fatigue resistance. The soft photonic hydrogel has been fabricated to exhibit ultrafast response time, full-color tunable range, high spatial resolution, and can be actuated by a very small compressive stress and the color can be reversibly switched at high frequency more than 10,000 times without degradation. The gel has been further modulated as a rewritable paper using water as ink. This material can be used in optical devices, such as full-colour movie display and sensors to visualize the time evolution of complicated stress/strain fields, for example, generated during the motion of biological cells. References (1) Haque, M. A.; Kamita, G.; Gong, J.P; et al. Advanced Materials, 2010, 22, 5110. (2) Haque, M. A.; Kurokawa, T.; Gong, J.P.; et al. Chemistry of Materials, 2011, 23, 5200.

(3) Haque, M. A.; Kurokawa, T.; Gong, J.P. Soft Matter, 2013, 9, 5223. (4) Yue, Y.; Haque, M. A.; Gong, J.P.; et al. Advanced Materials, 2013, 25, 3106. (5) Yue, Y.; Kurokawa, T; Haque, M. A.; Gong, J. P.; et al. Nature Communication, 2014, 5,

4659.

Md. Anamul Haque Assistant Professor Department of Chemistry University of Dhaka, Dhaka 1000, Bangladesh Phone: +88029661920-73 Ext. 7131 Fax: +88029667222 Email: anamul@du.ac.bd Md. Anamul Haque graduated in Master of Science (M.S.) from University of Dhaka, Bangladesh in 2008. Under the Japanese Government Scholarship, he has started his doctoral research in Laboratory of Soft & Wet Matter, Hokkaido University, Sapporo 060-0810, Japan from October, 2008. He achieved the PhD degree from the same in September, 2011. During doctoral research, he has carried the research on the creation of an anisotropic hydrogel with well define hierarchical structure. After completion of PhD, he has worked in same laboratory as a postdoctoral research fellow from December 2011 to July 2013. During postdoctoral research, he has concentrated on high functionalization of the anisotropic hydrogel such as role of sacrificial bond on toughness, multi stimuli color sensor, ultra-fast color sensor gel. Dr. Md. Anamul Haque got a Lecturer position in University of Dhaka on August 2013. Now, he is working there as an Assistant Professor from September 2014. His current research interest are color sensor material, electrochemical sensing of sol-gel transition, industrial waste water treatment, etc. Selected Important Contributions: (1) Haque, M. A.; Kamita, G.; Kurokawa, T.; Tsujii, K.; Gong, J.P. Advanced Materials, 2010,

22, 5110. (2) Haque, M. A.; Kurokawa, T.; Tsujii, K.; Gong, J.P. Macromolecules, 2011, 44, 8916. (3) Haque, M. A.; Kurokawa, T.; Kamita, G.; Yue, Y.; Gong, J.P. Chemistry of Materials,

2011, 23, 5200. (4) Haque, M. A.; Rahman, M.M.; Susan M. A. B. H. Journal of Solution Chemistry, 2011, 40,

861 and 2012, 41, 447. (5) Haque, M. A.; Kurokawa, T.; Gong, J.P. Soft Matter, 2013, 9, 5223. (6) Yue, Y.; Haque, M. A.; Kurokawa, T.; Nakajima, T.; Gong, J.P. Advanced Materials, 2013,

25, 3106. (7) Sun, T. L.; Kurokawa, T.; Kuroda, S.; Ihsan, A.B.; Akasaki, T.; Sato, K.; Haque, M. A.;

Nakajima, T.; Gong, J.P. Nature Materials, 2013, 12,932. (8) Yue, Y.; Kurokawa, T; Haque, M. A.; Nonoyama, T; Nakajima, T.; Kajiwara, I; Gong, J. P.;

Nature Communication, 2014, 5, 4659.

THERMAL EXPANSION IN SOME ORGANIC CRYSTALS Binoy K. Saha, Department of Chemistry, Pondicherry University, Puducherry-605 014, India. e-mail id: binoypu@yahoo.co.in Thermal expansion is an important field in materials science. Most of the thermal expansion studies have been performed on inorganic or metal-organic systems but recently interest on small organic molecules in this field of science is growing slowly. Due to their very high thermal expansion coefficients, these materials might show some potential applications as thermomechanical actuator.1 Here, thermal expansion properties of some isostructural, polymorphic and host-guest systems have been discussed. In a set of 1D hydrogen bonded dimorphic form, it has been shown that the order of thermal expansion for different types of interactions follows as O−H∙∙∙N < C−H∙∙∙O < van der Waals contact which is the reverse order of their interaction strength.2 The 1D/2D3 and 1D/3D4 hydrogen bonded dimorphic pairs of two sets of organic systems showed similar volumetric thermal expansions, whereas in another system5, the 0D form exhibits a higher thermal expansion coefficient than its 1D hydrogen bonded dimorphic counterpart. In two series of isostructural systems it has been shown that the order of thermal expansion in halogen∙∙∙halogen interactions is I∙∙∙I < Br∙∙∙Br < I∙∙∙I.6 In the α,ω-alkane diacids7 and trihalomesitylene8 series, the thermal expansion of the materials have been correlated to their melting points. A higher thermal expansion caused a lower melting point in these systems. We also have studied the influence of guests on the thermal expansion of host networks. Thermal expansion of the guest free form has been compared with the corresponding host-guest systems and it has been found that the thermal expansion of the host-guest systems are, in general, much higher than that of the guest free forms.3,6 References: (1) Das, D.; Jacobs, T.; Barbour, L. J. Nat. Mater. 2010, 9, 36. (2) Bhattacharya, S; Saha, B. K. Cryst. Growth Des. 2013, 13, 3299. (3) Saraswatula, V. G.; Saha, B. K. Cryst. Growth Des., 2015, 15, 593. (4) Bhattacharya, S.; Saraswatula, V. G.; Saha, B. K. Cryst. Growth Des. (communicated). (5) Saraswatula, V. G.; Bhattacharya, S.; Saha, B. K. New J. Chem., 2015, 39, 3345. (6) Saraswatula, V. G.; Saha, B. K. New J. Chem., 2014, 38, 897. (7) Bhattacharya, S; Saraswatula, V. G.; Saha, B. K.Cryst. Growth Des. 2013, 13, 3651. (8) Saraswatula, V. G.; Saha, B. K. Chem. Commun., 2015, 51, 9829. Acknowledgments: DST-FIST for the single crystal X-ray diffractometer, Council of Scientific and Industrial Research (CSIR), India and Department of Science and Technology (DST), India for financial support.

A short CV of the Speaker

Dr. Binoy K. Saha

• B.Sc.: 1998, 1st class, The University of Burdwan, Burdwan, West Bengal, India. • M.Sc.: 2000, 1st class, The University of Burdwan, Burdwan, West Bengal, India. • GATE-2000: All India rank 20 • GUC-NET-2000-June: Selected among the top 20 % qualified CSIR-JRF students • Ph.D.: 2006, University of Hyderabad, Hyderabad, India. • 2006-till date: Assistant Professor in Pondicherry University, Puducherry, India

Awards:

• Associate of the Indian Academy of Sciences (2009). • Selected among the best 20 % reviewers of Cryst. Growth Design, an American

Chemical Society journal, in 2009. Research interest:

• Crystal engineering, polymorphism, inclusion compounds, solid-state photodimerization, thermal expansion properties in materials.

Selected Important Contributions: (1) Saraswatula, V. G.; Saha, B. K. Chem. Commun., 2015, 51, 9829. (2) Saraswatula, V. G.; Bhattacharya, S.; Saha, B. K. New J. Chem., 2015, 39, 3345. (3) Saraswatula, V. G.; Saha, B. K. Cryst. Growth Des., 2015, 15, 593. (4) Bhattacharya, S.; Saha, B. K. CrystEngComm, 2014, 16, 2340. (5) Saraswatula, V. G.; Bhat, M. A.; Gurunathan, P. K.; Saha. B. K. CrystEngComm, 2014, 16, 4715. (6) Saraswatula, V. G.; Saha. B. K. New J. Chem., 2014, 38, 897. (7) Bhattacharya, S.; Stojakovic, J.; MacGillivray, L. R.; Saha, B. K. Org. Lett., 2013, 15, 744. (8) Bhattacharya, S.; Saha, B. K. Cryst. Growth Des., 2013, 13, 3299. (9) Bhattacharya, S.; Saraswatula, V. G.; Saha, B. K.Cryst. Growth Des., 2013, 13, 3651. (10) Bhattacharya, S.; Saha, B. K. Cryst. Growth Des., 2012, 12, 4716.

SYNTHESIS, CRYSTALLIZATION AND CHARACTERIZATION OF A NEW MIXED-VALENT

TITANIUM(III, IV) OXIDE-PHOSPHATE

Aftab Ali Shaikh1, M. Saiful Islam2, and Robert Glaum3

1Department of Chemistry, University of Dhaka; Dhaka 1000, Bangladesh 2Department of Chemistry, Northwestern University, 60208 IL, USA 3Institute of Inorganic Chemistry, University of Bonn, 53121 Bonn, Germany Single-crystals of the mixed-valent titanium(III,VI)-oxidephosphate TiIII

1+xTiIV3O3(PO4)3 (black,

x ≈ 0.2), with edge-lengths up to 0.3 mm were obtained by chemical vapor transport (1273 → 1173 K) using iodine as transport agent. A preliminary structure model was derived for TiIII

1+xTiIV3O3(PO4)3 from X-ray single-crystal data (C2/c; Z = 12, a = 22.1792(4) Å, b =

7.4161(1) Å, c = 22.1418(4) Å, β = 119.194(1)°C, 41 atom in the asymmetric unit, 6947 independent reflections, 291 variables, R1 = 0.15). The crystal structure of this phosphate is closely related to -Fe2O(PO4) [1] and the Lazulite/Lipscombite structure family [2]. TiIV

5O4(PO4)4 [3] and the two already known mixed-valent titanium-phosphates Ti4

IIITiIV27O24(PO4)24 [2] and TiIIITiIV

3O4(PO4)4 [4] do also belong to this family. The crystal structure of TiIII

1+xTiIV3O3(PO4)3 consists of highly distorted dimers [Ti2

III,IVO9] (1.71 Å ≤ d(Ti-O) ≤ 2.30 Å; d(TiIII-TiIV ≈ 3.11 Å) and phosphates groups (1.43 Å ≤ d(P-O) ≤ 1.61 Å). Two successive dimers are connected to each other via a common oxygen atom as well as phosphate groups.

Figure: Crystal structure of TiIII1+xTiIV

3O3(PO4)3.

References

(1) Modaressi, A.; Courtois, A.; Gerardin, R.; Malaman, B.; Gleitzer, C. J. Solid State Chem. 1981, 40, 301. (2) Katz, L.; Lipscomb, W. N. Acta Crystallographica, 1951, 4, 345. (3) Reinauer, F.; Glaum, R. Acta Crystallogr. 1998, B54, 722. (4) Schöneborn, M.; Glaum, R.; Reinauer, F. J. Solid State Chem. 2008, 181, 1367. Acknowledgement The authors are grateful to Alexander von Humboldt Foundation for their financial support.

Dr. Md. Aftab Ali Shaikh

Md. Aftab Ali Shaikh completed his B. Sc. (Hon’s) and M. Sc. degree from the University of Dhaka, Bangladesh in 1998 and 1999 respectively. As a Lecturer he joined to the Department of Chemistry, University of Dhaka in 2000. He was promoted to Assistant Professor of the same department in 2005. He started his doctoral research in the Institute of Mineralogy, Leibniz University of Hannover, Germany after achieving the George Christoph Lichtenberg Scholarship of the federal state of lower Saxony in December, 2005. He obtained the PhD degree from the same in November 2008. During doctoral research, he has carried out the research on the generation of the titanium based prosthesis for implant prototyping. He returned to Bangladesh and joined to the Department of Chemistry, University of Dhaka and he was promoted to Associate Professor in 2009. He achieved the Alexander von Humboldt fellowship for Young Scientists in 2011 for his Post Doctoral research. In the Institute of Inorganic Chemistry in Bonn University, Germany he carried out a research work on Mixed valent Titanium phosphate synthesis, characterization and structural elucidation under the supervision of Professor Robert Glaum. Dr. Shaikh became Professor of the Department of Chemistry of Dhaka University in June, 2013. His current research interest are to modify electrodes with nanomaterial and conducting polymer material; development of biosensors, functional material synthesis and characterization, etc.

Some Important Contributions

(1) A. J. Saleh Ahammad, A. A. Shaikh, N. J. Jessy, Tania Akter, Abdullah Al Mamun and P. K. Bakshi, J. Electrochem. Soc., 162(3), B52-55, 2015.

(2) Taslima R. Chowdhury, A. A. Shaikh, Humaiara Akter, M. M. Neaz, P. K. Bakshi, and A. J. Saleh Ahammad, ECS Solid State Letters, 3 (2) 14-16, 2014

(3) Humaiara Akter, A.A. Shaikh, Taslima R. Chowdhury, M.S. Rahman, P.K. Bakshi and A.J. Saleh Ahammad, Electrochem. Letters, 2(9), B13-B15, 2013.

(4) A.A. Shaikh, S.K. Saha, P.K. Bakshi, Altaf Hussain and A.J. Saleh Ahammad, J. Electrochem. Soc., 160(4), B37-B42, 2013.

(5) A. A. Shaikh, J. Firdaws, Badrunnessa, S. Serajee, M. S. Rahman and Pradip K. Bakshi, Int. J. Electrochem. Sci., 6, 2333, 2011.

SOFT-OXOMETALATES (SOMS): FROM CATALYSIS TO ACTIVE NANOMOTORS

Soumyajit Roy, EFAML, Materials Science Centre, Department of Chemical Sciences, IISER-Kolkata, Mohanpur Campus, 741246, West Bengal, India. E-mail: s.roy@iiserkol.ac.in

In recent times polyoxometalates [1], a class of metal-oxide based neutral or anionic or cationic clusters, have been assembled with the aid of ‘soft’-supramolecular interactions, into soft-super-structures. Such soft structures showing soft-matter properties (like scattering, shear under soft forces, etc.) can be considered as a soft/liquid state of oxometalates and are proposed to be called ‘soft’ oxometalates (SOMs). [2,3] After addressing the challenge of synthesis of SOMs we are now able to use these structures for photo-catalytic applications. [4,5] However for the purpose of catalytic application an ability to direct structure formation in mesoscopic length scales, is needed. This problem has been solved by patterning induced by nucleation in SOMS using thermo-optic tweezers. [6,7] All such aspects of these systems from patterning to catalysis will be discussed. [8] We will also discuss a recently developed SOM based active motors and how we make them move.[9]

[1] Long, D.-L., Tsunashima, R., Cronin, L., Angew. Chem. Int. Ed., 49 (2010) 1736. [2] Roy, S., Comments Inorg. Chem. 32 (2011) 113. See also: S. Roy, (Ed) SOMs: Design, Application & Perspectives, J. Mol. Eng. Mater., 2(2014). [3] Roy, S., CrystEngComm 16 (2014) 4667. [4] Chen, D., Sahasrabudhe, A., Peng, W., Dasgupta, A., Yuan, R., Roy, S., Dalton Trans. 42 (2013) 10587. [5] Das, K and Roy, S., Chem. Asian J. (2015) [6] Roy, B., Arya, M., Thomas, P., Jürgschat, J., Rao, K., Banerjee, A., Reddy, C. M., Roy, S., Langmuir 29 (2013) 14733. [7] Thomas, P., Pei, C., Roy, B., Ghosh, S., Das, S., Banerjee, A., Ben, T., Qiu, S., Roy, S., J. Mater. Chem. A. 3 (2015) 1431. [8] Biswas, S., Roy, S., J. Mol. Naoscience, 1(2014)1. [9] Mallick, A., Lai, D., Roy, S., New J. Chem. (2015) DOI: 10.1039/c5nj01097g.

Soumyajit Roy Eco-Friendly Applied Materials Laboratory (EFAML), Materials Science Centre, Department of Chemical Sciences, Mohanpur Campus, Indian Institute of Science Education & Research, Kolkata, 741246 West Bengal. Soumyajit Roy, is at present an Associate Professor (2015-till date) at Indian Institute of Science Education and Research, Kolkata, India and leads Eco-friendly Applied Materials Laboratory, (EFAML) in the Department of Chemical Sciences of IISER-Kolkata. The areas of scientific interests of the laboratory include: Soft-oxometalates (SOMs) and Polyoxometalates (POMs) in photo-catalysis. The overarching objective of the laboratory is to understand how simple interactions can lead to complex materials. Soumyajit is interested in popularization of Science in his mother tongue, Bengali. Soumyajit is a Fellow of the Royal Society of Chemistry (FRSC) and the Royal Society of Arts (FRSA). He also serves as an associate editor of the Journal of Molecular and Engineering Materials (World Scientific). Selected Publications: 1. S. Roy, “Soft-Oxo Metalates (SOMs): A Very Short Introduction” Comments Inorg.

Chem. 32 (2011) 113.

2. S. Roy, "Soft-oxometalates beyond crystalline polyoxometalates: formation, structure and properties", CrystEngComm 16 (2014) 4667.

3. K. Das, S. Roy, "Direct Synthesis of Controlled-Size Nanospheres inside Nanocavities of Self-Organized Photopolymerizing Soft Oxometalates [PW12O40]n (n=1100–7500)", Chem. Asian J. 10 (2015) 1884.

4. Thomas, C. Pei, B. Roy, S. Ghosh, S. Das, A. Banerjee, T. Ben, S. Qiu, S. Roy, "Site specific supramolecular heterogeneous catalysis by optically patterned soft oxometalate–porous organic framework (SOM–POF) hybrid on a chip", J. Mater. Chem. A. 3 (2015) 1431.

5. D. Chen, A. Sahasrabudhe, W. Peng, A. Dasgupta, R. Yuan, S. Roy, "Synthesis and properties of a novel quarternerized imidazolium [α-PW12O40] salt as a recoverable photo-polymerization catalyst" Dalton Trans. 42 (2013) 10587.

STRUCTURAL DEPENDENCE ON DYE DEGRADATIVE ACTIVITY OF MN-OXIDES NANOPARTICLES A. K. M. Atique Ullah1, 3, D. K. Saha2, M. A. Maksud1 and Shakhawat H. Firoz3

1Chemistry Division, Atomic Energy Centre, Bangladesh Atomic Energy Commission, Dhaka-1000, Bangladesh; e-mail: atique.chem@gmail.com, 2Physical Science Division, Bangladesh Atomic Energy Commission, Dhaka-1207, Bangladesh, 3Department of Chemistry, Bangladesh University of Engineering and Technology (BUET), Dhaka-1000, Bangladesh Manganese oxides (Mn-oxides) have been attracted considerable interest due to their potential applications in catalysts, ion exchanging materials, electrochemical materials, molecular adsorption, etc. [1-4]. But it is well recognized that the functionality of the materials is enhanced when they are reduced to nano-sized dimensions. In addition, the properties of nanomaterials depend on their structures and morphologies also [5]. Therefore, understanding the structural dependence on dye degradative activity of Mn-oxides nanomaterials is a subject of intensive research for their imminent applications as powerful oxidants. Mn-oxides nanoparticles with different crystal structures have been synthesized via a facile gel formation route by the reduction of KMnO4 with glycerol. After the heat treatment of the gel precursor at different temperatures Mn-oxides nanoparticles with different oxidation states, viz., Mn3O4, Mn5O8 and Mn2O3 were formed. The phase identification, chemical composition, crystal structure, crystallinity and surface morphology were analyzed using powder X-ray diffraction (XRD), energy dispersive X-ray (EDX), Fourier transform infra red (FT-IR) and scanning electron microscopy (SEM) techniques. Mn3O4 nanoparticles with tetragonal crystal structure were formed at 80 °C. Then the two other forms Mn5O8 nanorods with monoclinic crystal structure and Mn2O3 nanoparticles with cubic crystal structure were formed after heat treatment of the gel precursor at 350 °C and 700 °C respectively. The average crystallite size of the synthesized Mn3O4, Mn5O8 and Mn2O3, calculated from the XRD data was found to be 55 nm, 35 nm and 25 nm respectively. The structural dependence on dye degradative activity of the synthesized Mn-oxides nanoparticles were demonstrated from the decolorization of methylene blue (MB) using UV-visible spectroscopic technique. The dye degradation experiments show the superior degradative activity of Mn5O8 nanorods compared with other oxides of Mn having different crystal structures. MB and a dye effluent of a local textile industry were found to be completely decolorized from their aqueous solutions on treating the dyes with Mn5O8 nanaparticles suspension in acidic media. References:

1. Armstrong, A. R.; Bruce, P. G. Nature 381, 1996, 499 2. Shen, Y. F.; Zerger, R. P.; Deguzman, R. N.; Suib, S. L.; Mccurdy, L.; Potter, D. I.;

Oyoung, C. L. Science 260, 1993, 511 3. Bernard, M. C.; Goff, H. L.; Thi, B. V. J. Electrochem. Soc. 140, 1993, 3065 4. Zhang, Y. C.; Qiao, T.; Hu, X. Y. J. Solid State Chem. 177, 2004, 4093 5. Zhang, P.; Zhang, Y.; Cai, B.; Hao, C.; Wang, J.; Liu, C.; Meng, Z.; Yin, Z.; Chen, Q.

Nano Res. 3, 2010, 235

A. K. M. Atique Ullah A. K. M. Atique Ullah is a Materials Chemist, and earned his B. Sc. (Honors) in Chemistry from the University of Chittagong, Bangladesh in 2007 and awarded DPI merit scholarship for his excellent result in B. Sc. Honors exam. Then he completed his MS in Physical Chemistry from the same university in 2009 as a National Science and Technology fellow (2008-2009) under the Ministry of Science & Technology. He started his research career as a Scientist in 2011 at the Bangladesh Atomic Energy Commission. Recently, he earned his M. Phil. degree from the Bangladesh University of Engineering and Technology. Mr. Atique attended in a number of national and international conferences and presented more than 15 papers. He is actively involved with different professional organizations. He is the Life Member of Bangladesh Physical Society, Bangladesh Chemical Society, Bangladesh Crystallographic Association, Bangladesh Association for the Advancement of Science, and Bangladesh Atomic Energy Scientists’ Association. Currently, he is a Member of Executive body of Bangladesh Crystallographic Association. He was a member of organizing committee of the 2nd national conference of Bangladesh Crystallographic Association and presently working as a member of an organizing sub-committee of the 16th Asian Chemical Congress. Selected Important Contributions:

1. Ullah, A. K. M. A.; Akter, M.; Anam, M. R.; Firoz, S. H. Am. J. Chem. Eng. 2014, 35. 2. Akter, M.; Sikder, T.; Ullah, A. K. M. A. Am. J. Environ. Protec. 2014, 232. 3. Ullah, A. K. M. A.; Akter, M.; Firoz, S. H. Jour. Chem. Soc. Pak. 2014, 1028 4. Ullah, A. K. M. A.; Akter, S.; Akter, M.; Habibullah, M. Jour. Chem. Soc. Pak. 2014,

806 5. Ullah, A, K, M, A.; Akter, M.; Islam, M. N.; Huq, M.; Maksud, A. Der Pharm. Chem.

2013, 39 6. Ahasan, M. M.; Khanam, M. N.; Awal, M. A.; Khatun, R.; Akter, S.; Ullah, A. K. M.

A. Bang. J. Nucl. Med. 2013, 32 7. Ahasan, M. M.; Mahmud, A.; Khanam, M. N.; S. Afroz, Khatun, R.; Akter, S.; Ullah,

A. K. M. A. Nucl. Sci. App. 2011, 75

WEAK DIPOLE···DIPOLE INTERACTIONS IN ORGANIC CRYSTALS: INSIGHTS FROM EXPERIMENTAL CHARGE DENSITY STUDIES Tejender S. Thakur, Molecular and Structural Biology Division, CSIR-Central Drug Research Institute, Lucknow 226 031, India. e-mail id: tejender.thakur@cdri.res.in Study of intermolecular interactions is important to our understanding of molecular association in solids. The role played by weak dipole–dipole interactions in crystal packing is not very well explored.1,2 These dipole-dipole interactions can be crucial in directing the molecular packing especially, in the cases when a competing stronger interactions are absent. Over the last 10 years the high resolution X-ray Charge density studies have become an indispensible means for evaluating various types of interactions experimentally.3 The intra and intermolecular interaction regions of the experimentally obtained charge density distributions between the atoms in molecules are generally assessed in the framework of Bader's quantum theory of atoms in molecules (QTAIM).4 However, in the cases where weak interactions are involved the evaluation of intermolecular interactions cannot be restricted merely to the presence or absence of a bond critical point between the a interacting pair of atoms. Contribution for other atoms involved also needs to be assessed in order to obtain a complete picture of bonding. Along these lines, I will discuss some of our recent results obtained from the high resolution X-ray charge density study of C=O···C=O, C=O···N–O and N–O···N–O type dipole–dipole interactions in 4-nitrobenzoic acid and 3,3'-dinitrobenzophenone polymorphs.5 References: (1) Allen, F. H.; Baalham, C. A.; Lommerse, J. P. M.; Raithby, P. R. Acta Crystallogr., Sect. B 1998, 54, 320−329. (2) Paulini, R.; Muller, K.; Diederich, F. Angew. Chem., Int. Ed. 2005, 44, 1788−1805. (3) Koritsanszky, T. S.; Coppens, P. Chem. Rev. 2001, 101, 1583. (4) Bader, R. F. W. Atoms in Molecules: A Quantum Theory; Clarendon: Oxford, 1990. (5) Thakur, T. S.; Singh, S. S. Cryst. Growth Des. 2015, 15, 3280. Acknowledgments: I thank the Science and Engineering Research Board (SERB), Department of Science and Technology (DST), Government of India, for financial assistance (Project no. SR/FT/CS-163/2011).

Tejender S. Thakur Background and Education: 2009: PhD. University of Hyderabad, Hyderabad, India 2009-2011: Postdoctoral fellow at Indian Institute of science, Bangalore, India 2012 onwards: Scientist at CSIR-Central Drug Research Institute, Lucknow, India Research interest: Crystal Engineering, Experimental Charge Density and Computational Chemistry. Recent Contributions: (1) Thakur, T. S.; Singh, S. S. Cryst. Growth Des. 2015, 15, 3280. (2) Thakur, T. S.; Dubey, R.; Desiraju, G. R. Annu. Rev. Phys. Chem. 2015, 66, 21. (3) Thakur, T. S.; Dubey, R.; Desiraju, G. R. IUCrJ 2015, 2, 159. (4) Singh, S. S.; Thakur, T. S. CrystEngComm 2014, 16, 4215.

STRUCTURAL MODIFICATION BY TAILORING THE 2, 3-HYDROXYL POSITION OF GLUCOSE MOIETY OF NANOCRYSTALLINE CELLULOSE M. A. H. Howlader and Shakhawat H. Firoz, Department of Chemistry, Bangladesh University of Engineering and Technology (BUET), Dhaka-1000, Bangladesh E-mail id: hasanchek@chem.buet.ac.bd Nanocrystalline cellulose (NCC) and its structural modified green products recently have gained the attention of the scientific community due to their potential applications in electronics, pharmaceuticals, cosmetics, personal cares etc [1-2]. Different properties of NCC like surface charge, hydrophilicity, water swelling, capacity of active ingredient carrier etc. can be controlled by selective modification of the functional groups specially the hydroxyl groups in the glucose moiety. This functional modification might have extent the suitability of NCC in wide variety of novel applications. The NCC in the form of aqueous gel was prepared by the combination of sulphuric acid hydrolysis and ultrasonic treatment from commercial grade microcrystalline cellulose (MCC). The fiber diameter and length were found to be around 10 nm and several hundred nanometers, respectively, from the Field Emission Scanning Electron Microscopy (FESEM). The crystallinity of NCC and modified NCCs were determined by X-ray Diffraction (XRD) patterns. For the modification of the glucose moiety, the NCC was tailored by selective oxidizing agent, NaIO4 and a reducing agent, NaBH4 where NaIO4 converted vicinal 2, 3-hydroxyl groups into dialdehyde via cleaving C2-C3 bond in glucose unit of cellulose chain. That Dialdehyde nanocellulose (DANC) was used as a chemical anchor for the incorporation of wide variety of functionalities. The dialdehyde groups were converted into primary alcohol groups by NaBH4 which might created three primary hydroxyl groups in each glucose unit of cellulose chain and the dicarboxylic acid groups were incorporated by another selective oxidizing agent. The amine derivatives were prepared from the coupling reaction between DANC and different types of primary aliphatic amines or aromatic amines. The dialdehyde and other tailored groups were identified by chemical method, FTIR and NMR. From the experimental observation the structural modifications the cellulose chain was also explained. The XRD results showed that NCC and its all modified products are crystalline in nature whereas the crystallinity index of modified NCCs was decreased compare to NCC which indicates that no rearrangement of the cellulose structure into another crystalline form occurred. However the modified NCC fibers showed improved thermal stability than NCC. These results suggest that the structural modified cellulose might be a potential candidate for the preparation of wide variety of novel products which could have used for drying purpose (e.g. diapers), moisturizer for personal cares, controlled drug delivery, wound dressing, biosensor, agricultural water absorbents, etc. References:

1. Valo, H.; Kovalainen, M.; Laaksonen, P.; Hakkinen, M.; Auriola, S.; Peltonen, L.; Linder, M.; Jarvinen, K.; Hirvonen, J.; Laaksonen, T. J Control Release, 2011, 156(3), 390-397.

2. Favier, V.; Chanzy, H.; Cavaille, J.Y. Macromolecules, 1995, 28, 6365-6367.

Md. Abu Hasan Howlader Mr. Md. Abu Hasan Howlader, 29 years old, Bangladeshi by nationality, and lecturer, Department of Chemistry, Bangladesh University of Engineering and Technology (BUET), one of the top ranked universities in South Asia. He completed his Bachelor of Science in Chemistry and Master of Science in Chemistry securing first class second position in both degrees from University of Dhaka (DU). In B.Sc and M.S. degrees he carried out research on extraction, separation, purification and characterization of natural products from different plant sources. Recently he has completed his Master of Philosophy (M.Phil.) degree in Organic Chemistry and his research topic was preparation of nano-crystalline cellulose (NCC) from waste cotton and incorporation of new functionality to explore its application in controlled drug delivery. Mr. Hasan worked as a subcommittee member of venue and logistic committee of 1st International workshop on Nanotechnology in Bangladesh, 2012. Now he is also a committee member of food, venue and logistic, and finance committee of Federation of Asian Chemical Society’s conference 2015. Selected Important Contributions:

1. Howlader, M. A. H.; Iqbal, M. S.; Islam S. M. S.; Quader, M. A. Dhaka University J. Science, 2013, 61(2), 147-151.

2. Howlader, M. A. H.; Shakhawat, H. F. Annual Conference of Bangladesh Chemical Society, 2015, 37.

STABILITY OF CAFFEINE-GLUTARIC ACID POLYMORPHIC COCRYSTALS RanjitThakuriaa and William Jones aDepartment of Chemistry, Gauhati University, Guwahati-781014, Assam ranjit.thakuria@gmail.com Abstract: The stability of an API to atmospheric moisture is an important factor in the pharmaceutical industry as relative humidity varies from geographical region to region and is also related to drug processing, packaging, formulation and storage. It is known that some drug formulations are stable under specific humidity conditions whereas some decompose or convert to hydrates at a high relative humidity. In such cases, solid form selection is often employed to search for a polymorph, cocrystal or salt form that exhibits greater stability. Caffeine is an API which exhibits instability with respect to humidity and forms a non-stoichiometric hydrate. In order to avoid hydration issuescocrystals of caffeine with dicarboxylic acids have been prepared. Among them, caffeine and glutaric acid show two 1:1 cocrystal polymorphs which may be synthesised by liquid assisted grinding and solution crystallization methods. These polymorphs are further studied in this work We studied the relative stability of single crystal and powder samples of caffeine-glutaric acid cocrystals with respect to relative humidity. The surface topography of the two cocrystal polymorphs have been studied using atomic force microscopy.1 Based on our experimental analysis we propose a mechanism of phase transition and dissociation of caffeine-glutaric acid polymorphic cocrystals under high humidity conditions.

1. Thakuria, R.;Eddleston, M. D.; Chow, E. H. H.; Lloyd, G. O.; Aldous, B. J.; Krzyzaniak, J. F.; Bond A. D.; Jones, W.AngewandteChemie, 2013, 52, 10541.

Curriculum vitae Name: Dr. RanjitThakuria Address: Assistant Professor, Department of Chemistry, Gauhati University, Guwahati-781014, Assam. Education: July 2011 PhD (Chemistry) University of Hyderabad, India

Supervisor: Prof. AshwiniNangia Thesis title: Multi-Component Crystal Structures of Network Solids and Pharmaceutical Salts

January 2006 MSc (Chemistry) Gauhati University, Assam, India August 2003 BSc (Chemistry) B. Barooah College, Assam, India Professional background: June 2014 – Present Assistant Professor, Department of Chemistry, Gauhati University,

Assam, India. March 2013–February 2014

Post-Doctorate Research Fellow (Tel Aviv University, School of Chemistry) Supervisor: Prof. Israel Goldberg

September 2012 – February 2013

Worked as Guest Faculty in Department of Chemical Sciences, Tezpur Central University, Tezpur, Assam, India.

September 2011 – August 2012

Post-Doctorate Research Fellow (University of Cambridge, Department of Chemistry) Supervisor: Prof. William Jones

Awards and honors: 1. Fast Track Young Scientist Award by Science and Engineering Research Board (SERB)

for 2014-2016. Selected Publications: 1. G. Nandi, H. M. Titi, R. Thakuria and I. Goldberg, Solvent Dependent Formation of Metallogels and

Single-Crystal MOFs by La(III) and Ce(III) Connectors and 3,5-Pyridinedicarboxylate: Effect of Lanthanoid Contraction, Cryst. Growth Des.,2014, 14, 2714−2719. {IF = 4.689}

2. R. Thakuria, M. D. Eddleston, E. H. H. Chow, G. O. Lloyd, B. J. Aldous, J. F. Krzyzaniak, A. D. Bond and W. Jones, Use of in situ atomic force microscopy to follow phase changes at crystal surfaces in real time, AngewandteChemie, 2013, 52, 10541−10544. {IF = 13.734}

3. R. Thakuria,A. Delori, W. Jones, M. P. Lipert,L. Roy and N. Rodríguez-Hornedo, Pharmaceutical cocrystals and poorly soluble drugs,Int. J. Pharm.,2013, 453, 101−125. {IF = 3.991}

4. R. Thakuria and A. Nangia, Highly soluble olanzapinium maleate crystalline salts,CrystEngComm, 2011, 13, 1759−1764. (highly cited during 2012-2013) {IF = 3.879}

5. R. Thakuria, B. Sarmaand A. Nangia, Supramolecular networks of a H-shaped aromatic phenol host, New J. Chem., 2010, 34, 623−636. (cover art and included in top10 most accessed articles) {IF = 2.966}

Research experience: During my PhD I worked on topics related to crystal engineering. Specifically, use of cocrystals and salts in order to modify solubility and stability of pharmaceutical materials; host-guest compounds and their network behavior; isostructurality; solid-solution; polymorphism of pharmaceutical materials etc. In my post-doctoral research in University of Cambridge my projects were mainly focused on the use of AFM to study surface properties of pharmaceutical materials as well as the study of polymorphic phase transitions and stability of pharmaceutical cocrystals.

In my post-doctoral research in Tel Aviv University my main focus was to synthesize novel metal organic frameworks (MOFs) using small organic molecules studied their materials properties like magnetism, gelation behavior using various instrumentation techniques.

SYNTHESIS OF YITTRIUM DOPED BISMUTH VANADATE, BI1-XYXVO4 (0.00 ≤ X ≤ 0.50) AND STUDY OF THEIR ELECTROCHEMICAL PROPERTIES Linia Tashmim1, Tapas Debnath1, Md. Mominul Islam1, Md. Ariful Hoque1, Altaf Hussain1,2 1Department of Chemistry, University of Dhaka, Dhaka-1000 2Centre for Advanced Research in Sciences, University of Dhaka, Dhaka-1000 E-mail: linia_tashmim@yahoo.com, debnath@du.ac.bd, mominul@du.ac.bd, altaf@du.ac.bd Bismuth vanadate (BiVO4) has emerged in recent years as one of the widely investigated materials due to its positive response as a visible light driven photocatalyst [1]. Depending on the methods and condition of synthesis, bismuth vanadate (BiVO4) exists in three polymorphic forms namely zircon type tetragonal, scheelite type tetragonal and scheelite type monoclinic phase. Among these scheelite type monoclinic phase have been reported to exhibit highest catalytic activity in various fields [2]. In the present work, attempts were made to prepare scheelite type monoclinic BiVO4 and its yttrium (Y) doped derivatives, Bi1-xYxVO4 (0.00 ≤ x ≤ 0.50) by a metal-organic precursor method. The products were characterized using X-ray diffraction (XRD), Fourier Transform Infrared (FT-IR) spectroscopy and Scanning Electron Microscopic (SEM) techniques. XRD data reveal that pure monoclinic phase of BiVO4 could be synthesized at a temperature range 400 °C to 700 °C. Yttrium doped pure monoclinic phase with nominal compositions Bi1-xYxVO4 (0.00 ≤ x ≤ 0.05) could also be synthesized. However, a tetragonal phase starts to appear for further increase in x and for x = 0.50 as nominal composition only a pure tetragonal phase exists. Catalytic activity of BiVO4 toward oxygen reduction and water electrolysis for oxygen and hydrogen evolution was studied by cyclic voltammetric technique in different aqueous medium using BiVO4 modified graphite electrode. Significant catalytic response of this material toward water electrolysis and oxygen reduction reaction (ORR) was found in 0.1 M H2SO4 medium. Capacitive behavior and cycle ability of BiVO4 were studied using chronopotentiometric technique and impedance analysis in neutral aqueous medium which indicates pseudocapacitive behavior and moderate cycle ability of the materials. [1] R. Liu, Z. Zheng, J. Spurgeon, X. Yang, Energy Environ. Sci. 7 2014, 2504. [2] S. Tokunaga, H. Kato, A. Kudo, Chem. Mater. 13 2001, 4624.

CURRICULUM VITAE OF LINIA TASHMIM ACADEMIC QUALIFICATION Masters of Science Subject : Inorganic and Analytical Chemistry Institute : Dept. of Chemistry, University of Dhaka, Dhaka-1000. Result : CGPA 4.00 (out of 4.00) (Merit position: 1st) Year of passing : 2013 (Held in 2014) Bachelor of Science (4-years Integrated Honors Degree) Subject : Chemistry Institute : Dept. of Chemistry, University of Dhaka, Dhaka-1000. Result : CGPA 3.70 (out of 4.00) (Merit position: 2nd) Year of passing : 2012 (Held in 2013) Higher Secondary Certificate (H.S.C) Institute : Dhaka City College Result : 5.00 (out of 5.00) Year of passing : 2008 Group : Science Board : Dhaka Secondary School Certificate (S.S.C) Institute : Agrani Girls School Result : 5.00 (out of 5.00) Year of passing : 2006 Group : Science Board : Dhaka Research Experience Thesis : Study of some bismuth based ternary metal oxide systems. Project : Preparation and Characterization of Nanocrystalline Cerium (IV) Oxide and Mg and Zr Doped Cerium (IV) Oxide with a New Organic Precursor PRESENTATIONS Oral:

1. Preparation and Characterization of Nanocrystalline Materials, Ce1-xMxO2-δ where M= Mg and Zr: L. Tashmim, T. Debnath, C.H. Ruscher and A. Hussain, First national conference of Bangladesh Crystallographic Association(BCA) held in 5th December 2013

2. Synthesis of yittrium doped bismuth vanadate, Bi1-xYxVO4 (0≤x≤0.5) and study of their electrocatalytic properties, Linia Tashmim, Tapas Debnath, Md. Mominul Islam, Md. Ariful Hoque and Altaf Hussain, 2nd national conference of Bangladesh Crystallographic Association(BCA) held in 10th January 2015

Poster: A simple method for synthesis of nanocrystalline cerium (IV) oxide: Effect of calcinations temperature, L. Tashmim, T. Debnath, A. J. Saleh Ahammad and A. Hussain, 35th Annual Conference of Bangladesh Chemical Society (BCS), held in 07-09 December 2012 (awarded 2nd prize) PUBLICATION

Preparation and Characterization of Nanocrystalline Cerium (IV) Oxide and Doped Cerium (IV) Oxide, Ce1-x-yMgxZryO2-δ, L. Tashmim, T. Debnath, C. H. Rüscher, A. Hussain, J. Sci. Res. 7 2015, 55. Research Interest Material Science, synthesis and characterization of functional material with tunable chemical and physical properties, and study of their catalytic property and synthesis of nanomaterial.