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Bhattacharjee, S.,Gupta, K.,Jung, N.,Yoo, S. J.,Waghmare, U. V.,Lee, S. C. The Royal Society of Chemistry 2015 Physical chemistry chemical physics Vol.17 No.14
<P>Oxidation of Co at the surface poses a major problem in the cyclable use of CoPt, a cost-effective catalyst for proton exchange membrane fuel cells. This can be alleviated by attaching a ligand selectively to Co-sites to stop its oxidation without compromising the catalytic activity. Here, we present a comparative analysis of adsorption of NH<SUB>3</SUB> on the (0001) surface of Co in the HCP structure and (111) surfaces of Pt and CoPt alloy in the FCC structure, using first-principles density functional theoretical calculations. While NH<SUB>3</SUB> binds more strongly with the Pt surface than with the Co surface, we find that its binding with the Co atom is stronger than that with the Pt atom on the surface of the CoPt alloy. Our analysis of the charge density and electronic structure shows how this originates from (a) the electron transfer from the minority spin d-band of Co to Pt, and (b) shift in the energy of d-bands and the magnetic moments of Co atoms on the surface of the CoPt alloy relative to those on the (0001) surface of Co. Hybridization of the d-states of Co in CoPt with p<SUB><I>z</I></SUB> states of N in NH<SUB>3</SUB> used to stop Co oxidation also results in improving the charge transfer from Co to Pt that is relevant to the catalytic activity of CoPt. We finally present the analysis of how the interaction of NH<SUB>3</SUB> with the CoPt surface can be tuned with strain.</P> <P>Graphic Abstract</P><P>Oxidation of Co at the surface poses a major problem in the cyclable use of CoPt, a cost-effective catalyst for proton exchange membrane fuel cells. <IMG SRC='http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=c4cp05557h'> </P>
Kinetics of Oxidation of Nitrotoluenes by Acidic Hexacyanoferrate (Ⅲ)
Bhattacharjee, A. K.,Mahanti, M. K. Korean Chemical Society 1983 Bulletin of the Korean Chemical Society Vol.4 No.3
The reaction of hexacyanoferrate (Ⅲ) with nitrotoluenes in aqueous acetic acid containing perchloric acid(1.0 M) at $50^{\circ}C$ gave the corresponding aldehyde as the major product. The order with respect to each of the reactants ― substrate, oxidant and acid ― was found to be unity. The Hammett plot yielded a ${\sigma}^+$ value of -1.30, and the kinetic isotope effect gave a $k_H/k_D$ value of 6.2. The pathway for the conversion of the nitrotoluenes to the products has been mechanistically visualized as proceeding through the benzylic radical intermediate, formed in the rate determining step of the reaction.
High strength and formable Mg-6.2Zn-0.5Zr-0.2Ca alloy sheet processed by twin roll casting
Bhattacharjee, T.,Suh, B.C.,Sasaki, T.T.,Ohkubo, T.,Kim, N.J.,Hono, K. Elsevier Sequoia 2014 Materials science & engineering. properties, micro Vol.609 No.-
Twin roll cast and hot rolled Mg-6.2wt%Zn alloys microalloyed with Zr, Ca, and Ag show tensile yield strength exceeding 300MPa in the T6 (peak-aged) condition with reasonable formability in the T4 condition. The addition of Zr and Ca plays a critical role in the development of weak textured recrystallized microstructure in Mg-6.2wt%Zn alloys so Mg-6.2Zn-0.5Zr-0.2Ca (wt%) alloy shows equivalent mechanical properties with Mg-6.2Zn-0.5Zr-0.2Ca-0.4Ag (wt%) alloy even without expensive Ag.
Bhattacharjee, S.,Kim, J.,Ahn, W.-S. American Scientific Publishers 2014 Journal of Nanoscience and Nanotechnology Vol.14 No.3
Pd nanoparticles supported on the chromium terephthalate metal organic framework MIL-101 (Pd/MIL-101) in different loadings (0.9 and 4.5 wt%) have been successfully prepared through a simple Pd-acetate adsorption and reduction in acetone, and tested as catalyst for selected liquid phase oxidation and hydrogenation reactions. The materials were characterized by XRD, N-2 adsorption-desorption isotherm, TEM, SEM-EDX and ICP analysis. The parent MIL-101 structure was found well preserved after formation of Pd nanoparticles and after catalytic reaction runs. The present catalyst afforded good activity and selectivity for the oxidation of benzyl alcohol to benzaldehyde with 85% conversion and 97% selectivity using air (1 atm) at 85 degrees C after 14 h. The catalyst also showed good activity in the hydrogenation of the C=C bond in alkenes to corresponding alkanes and also benzaldehyde to benzyl alcohol at room temperature using H-2 (1 atm). Rigorous test results confirmed that Pd-nanoparticles supported on MIL-101 are responsible for the catalytic reactions occurred. Pd/MIL-101 was reusable several times without losing the structural integrity and initial activity, and demonstrated significantly higher catalytic activities than those by a commercial Pd catalyst supported on activated carbon.
( Bhattacharjee Biplab ),( Rose Mary Simon ),( Chaithra Gangadharaiah ),( Prashantha Karunakar ) 한국미생물 · 생명공학회 2013 Journal of microbiology and biotechnology Vol.23 No.6
Leptospirosis is a worldwide zoonosis of global concern caused by Leptospira interrogans. The availability of ligand libraries has facilitated the search for novel drug targets using chemogenomics approaches, compared with the traditional method of drug discovery, which is time consuming and yields few leads with little intracellular information for guiding target selection. Recent subtractive genomics studies have revealed the putative drug targets in peptidoglycan biosynthesis pathways in Leptospira interrogans. Aligand library for the murD ligase enzyme in the peptidoglycan pathway has also been identified. Our approach in this research involves screening of the pre-existing ligand library of murD with related protein family members in the putative drug target assembly in the peptidoglycan biosynthesis pathway. A chemogenomics approach has been implemented here, which involves screening of known ligands of a protein family having analogous domain architecture for identification of leads for existing druggable protein family members. By means of this approach, one murC and one murF inhibitor were identified, providing a platform for developing an antileptospirosis drug targeting the peptidoglycan biosynthesis pathway. Given that the peptidoglycan biosynthesis pathway is exclusive to bacteria, the in silico identified mur ligase inhibitors are expected to be broad-spectrum Gram-negative inhibitors if synthesized and tested in in vitro and in vivo assays.
Bhattacharjee, Biplab,Vijayasarathy, Sandhya,Karunakar, Prashantha,Chatterjee, Jhinuk Asian Pacific Journal of Cancer Prevention 2012 Asian Pacific journal of cancer prevention Vol.13 No.11
Background: In the last two decades, pioneering research on anti-tumour activity of saffron has shed light on the role of crocetin, picrocrocin and safranal, as broad spectrum anti-neoplastic agents. However, the exact mechanisms have yet to be elucidated. Identification and characterization of the targets of bioactive constituents will play an imperative role in demystifying the complex anti-neoplastic machinery. Methods: In the quest of potential target identification, a dual virtual screening approach utilizing two inverse screening systems, one predicated on idTarget and the other on PharmMapper was here employed. A set of target proteins associated with multiple forms of cancer and ranked by Fit Score and Binding energy were obtained from the two independent inverse screening platforms. The validity of the results was checked by meticulously analyzing the post-docking binding pose of the picrocrocin with Hsp90 alpha in AutoDock. Results: The docking pose reveals that electrostatic and hydrogen bonds play the key role in inter-molecular interactions in ligand binding. Picrocrocin binds to the Hsp90 alpha with a definite orientation appropriate for nucleophilic attacks by several electrical residues inside the Hsp90-alpha ATPase catalytic site. Conclusion: This study reveals functional information about the anti-tumor mechanism of saffron bioactive constituents. Also, a tractable set of anti-neoplastic targets for saffron has been generated in this study which can be further authenticated by in vivo and in vitro experiments.
Bhattacharjee, Promita,Kundu, Banani,Naskar, Deboki,Kim, Hae-Won,Bhattacharya, Debasis,Maiti, T. K.,Kundu, S. C. Springer 2016 Cell and tissue research Vol. No.
<P>The current study deals with the fabrication and characterization of blended nanofibrous scaffolds of tropical tasar silk fibroin of Antheraea mylitta and poly (D'-caprolactone) to act as an ideal scaffold for bone regeneration. The use of poly (D'-caprolactone) in osteogenesis is well-recognized. At the same time, the osteoconductive nature of the non-mulberry tasar fibroin is also established due to its internal integrin binding peptide RGD (Arg-Gly-Asp) sequences, which enhance cellular interaction and proliferation. Considering that the materials have the required and favorable properties, the blends are formed using an equal volume ratio of fibroin (2 and 4 wt%) and poly (D'-caprolactone) solution (10 wt%) to fabricate nanofibers. The nanofibers possess an average diameter of 152 +/- 18 nm (2 % fibroin/PCL) and 175 +/- 15 nm (4 % fibroin/PCL). The results of Fourier transform infrared spectroscopy substantiates the preservation of the secondary structure of the fibroin in the blends indicating the structural stability of the neo-matrix. With an increase in the fibroin percentage, the hydrophobicity and thermal stability of the matrices as measured from melting temperature T-m (using DSC) decrease, while the mechanical strength is improved. The blended nanofibrous scaffolds are biodegradable, and support the viability and proliferation of human osteoblast-like cells as observed through scanning electron and confocal microscopes. Alkaline phosphatase assay indicates the cell proliferation and the generation of the neo-bone matrix. Taken together, these findings illustrate that the silk-poly (D'-caprolactone) blended nanofibrous scaffolds have an excellent prospect as scaffolding material in bone tissue engineering.</P>
Bhattacharjee, Samiran,Yang, Da-Ae,Ahn, Wha-Seung Royal Society of Chemistry 2011 Chemical communications Vol.47 No.12
<P>A manganese(<SMALL>II</SMALL>) acetylacetonate complex has been immobilized to the metal–organic framework IRMOF-3 through a one-step post-synthetic route for the first time, providing an effective and recyclable heterogeneous catalyst for epoxidation of alkenes.</P> <P>Graphic Abstract</P><P>A novel route to bind manganese(<SMALL>II</SMALL>) acetylacetonate to IRMOF-3 through a one-step post-functionalization yields a highly selective, recyclable, and non-leaching heterogeneous catalyst for the epoxidation of alkenes. <IMG SRC='http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=c1cc00069a'> </P>