biblio
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, “Medium modulated oxygen reduction activity of Fe/Co active centre-engrafted electrocatalysts”, ChemElectroChem, vol. 6, no. 11, pp. 2956-2964, 2019.
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, “Studies toward the synthesis of potent anti-inflammatory peptides solomonamides A and B: synthesis of a macrocyclic skeleton and key fragment 4-amino-6-(2 `-amino-4 `-hydroxyphenyl)-3-hydroxy-2-methyl-6-oxohexanoic acid (AHMOA)”, Organic Letters, vol. 14, no. 24, pp. 6222-6225, 2012.
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, “Total synthesis of an anticancer norsesquiterpene alkaloid isolated from the fungus flammulina velutipes”, Organic & Biomolecular Chemistry, vol. 12, no. 24, pp. 4098-4103, 2014.
, “One-pot quadruple/triple reaction sequence: a useful tool for the synthesis of natural products”, Organic & Biomolecular Chemistry, vol. 13, no. 4, pp. 970-973, 2015.
, “Synthesis of novel of 2, 5-disubstituted 1, 3, 4-oxadiazole derivatives and their in vitro anti-inflammatory, anti-oxidant evaluation, and molecular docking study”, Bioorganic & Medicinal Chemistry Letters, vol. 30, no. 12, p. 127136, 2020.
, “Reply to “comment on ‘arresting an unusual amide tautomer using divalent cations’””, Journal of Physical Chemistry B, vol. 125, no. 1, pp. 479–483, 2020.
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, “Cosolvent effects on solute-solvent hydrogen-bond dynamics: ultrafast 2D IR investigations”, Journal of Physical Chemistry B, vol. 119, no. 49, pp. 15334-15343, 2015.
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, “Bimetallic Ni-Pd synergism-mixed metal catalysis of the mizoroki-heck reaction and the suzuki-miyaura coupling of aryl bromides”, Catalysis Letters, vol. 151, no. 2, pp. 353-358, 2021.
, “Two-dimensional infrared spectroscopy reveals cosolvent-composition-dependent crossover in intermolecular hydrogen bond dynamics”, Journal of Physical Chemistry Letters, vol. 8, no. 7, pp. 1604-1609, 2017.
, “Biosynthesized Co-doped TiO2 nanoparticles based anode for lithium-ion battery application and investigating the influence of dopant concentrations on its performance”, Composites Part B: Engineering, vol. 167, pp. 44-50, 2019.
, “Biomass-mediated synthesis of Cu-doped TiO2 nanoparticles for improved-performance lithium-ion batteries”, ACS Omega, vol. 3, no. 10, pp. 13676-13684, 2018.
, “Thermally constructed stable Zn-doped NiCoOx-z alloy structures on stainless steel mesh for efficient hydrogen production via overall hydrazine splitting in alkaline electrolyte”, Journal of Colloid and Interface Science, vol. 640, pp. 737-749, 2023.
, “CFD simulation of gas-liquid flows in a reactor stirred by dual rushton turbines”, International Journal of Chemical Reactor Engineering, vol. 6, p. Article No. A60, 2008.
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, “Glycoprotein alpha-amylase inhibitor from Withania somnifera differentially inhibits various alpha-amylases and affects the growth and development of Tribolium castaneum”, PEST Management Science, vol. 73, no. 7, pp. 1382-1390, 2017.
, “Protein α-amylase inhibitor from withania somnifera and its role in overall quality and nutritional value improvement of potato chips during processing”, Food and Bioprocess Technology , vol. 12, no. 4, pp. 636-644, 2019.
, “Kinetics of hydrogenation of aqueous levulinic acid over bimetallic Ru-Ni/MMT catalyst”, Industrial & Engineering Chemistry Research, vol. 58, no. 43, pp. 19803-19817, 2019.
“Steering the ester and gamma-valerolactone selectivities in levulinic acid hydrogenation”, Energy Fuels, vol. 32 , no. 6, pp. 6887–6900, 2018.
, “Phenol hydrogenation to cyclohexanol catalysed by palladium supported on CuO/CeO2”, Chemistry-an asian jounrnal, vol. 18, no. 11, 2023.
, “Molecular simulations of the conformational properties of atactic poly(2-ethylbutyl methacrylate)”, Journal of Applied Polymer Science, vol. 125, no. 2, pp. 1586-1591, 2012.
, “Monte carlo simulations of chain dimensions and conformational properties of various poly(n-alkyl methacrylates) in solution”, Journal of Macromolecular Science Part B-Physics, vol. 47, no. 6, pp. 1075-1086, 2008.
, “Effect of composition on chain dimensions of styrene-methylmethacrylate random copolymers under theta condition”, Journal of Macromolecular Science Part B-Physics, vol. 50, no. 5, pp. 996-1005, 2011.
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, “CCCTK: High performance molecular informatics toolkit for the design of anti-cancer molecule”, in 256th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nanoscience, Nanotechnology and Beyond, Boston, MA, 2018.
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, “Biomedical literature mining for protein-protein interactions analysis using electronic mailing system”, in 253rd National Meeting of the American-Chemical-Society (ACS) on Advanced Materials, Technologies, Systems, and Processes, San Francisco, CA, 2017.
, “Open-source tools, techniques, and data in chemoinformatics”, in Practical Chemoinformatics, Springer, 2014, pp. 1-92.
, “VIMAL: A chemoinformatics toolkit for design of novel antiviral agents through textmining of scientific literature”, in 253rd National Meeting of the American-Chemical-Society (ACS) on Advanced Materials, Technologies, Systems, and Processes, San Francisco, CA, 2017.
, “ChemInfoCloud: opensource based cloud compatible chemical textmining tools for harvesting largescale medical literature”, 248th National Meeting of the American-Chemical-Society (ACS), vol. 248. American Chemical Society, 1155 16th ST, NW, Washington, DC 20036 USA, p. Meeting Abstract: 69-CINF, 2014.
, “CCCTK (Compute Cure for Cancer ToolKit) an open source drug discovery platform for design of novel anti-cancer agents”, in 255th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nexus of Food, Energy, and Water, New Orleans, LA, 2018.
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, “Role of open source tools and resources in virtual screening for drug discovery”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 528-543, 2015.
, “ChemScreener: a distributed computing tool for scaffold based virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 544-561, 2015.
, “Encoding and decoding graphical chemical structures as two-dimensional (PDF417) barcodes”, Journal of Chemical Information and Modeling, vol. 45, no. 3, pp. 572-580, 2005.
, “Prediction of bioactive compounds using computed NMR chemical shifts”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 562-576, 2015.
, “General melting point prediction based on a diverse compound data set and artificial neural networks”, Journal of Chemical Information and Modeling, vol. 45, no. 3, pp. 581-590, 2005.
, “Protein ligand complex guided approach for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 577-590, 2015.
, “MegaMiner: a tool for lead identification through text mining using chemoinformatics tools and cloud computing environment”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 591-603, 2015.
, “Distributed chemical computing using chemstar: an open source java remote method invocation architecture applied to large scale molecular data from pubchem”, Journal of Chemical Information and Modeling, vol. 48, no. 4, pp. 691-703, 2008.
, “Design and development of cheminfocloud: an integrated cloud enabled platform for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 604-619, 2015.
, “Role of data and methods in chemoinformatics for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 7, pp. 622-623, 2015.
, “Role of chemical reactivity and transition state modeling for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 7, pp. 638-657, 2015.
, “Harvesting chemical information from the Internet using a distributed approach: chemxtreme”, Journal of Chemical Information and Modeling, vol. 46, no. 2, pp. 452-461, 2006.
, “Chemoinformatics approach for building molecular networks from marine organisms”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 7, pp. 673-684, 2015.
, “Visible-light active catechol-metal oxide carbonaceous polymeric material for enhanced photocatalytic activity”, Journal of Materials Chemistry A, vol. 5, no. 1, pp. 384-396, 2017.
, “Efficient solar light-driven H-2 production: post-synthetic encapsulation of a Cu2O co-catalyst in a metal-organic framework (MOF) for boosting the effective charge carrier separation”, Catalysis Science & Technology, vol. 8, no. 13, pp. 3286-3294, 2018.
, “Identification of N-glycosylation sites with sequence and structural features employing random forests”, Pattern Recognition and Machine Intelligence, Proceedings, vol. 5909, pp. 146-151, 2009.
, “Identification of defensins employing recurrence quantification analysis and random forest classifiers”, Pattern Recognition and Machine Intelligence, Proceedings, vol. 5909, pp. 152-157, 2009.
, “Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities”, Chemical Physics Letters, vol. 635, pp. 168-173, 2015.
, “Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities (vol 635, pg 168, 2015)”, Chemical Physics Letters, vol. 636, pp. 228-229, 2015.
, “Hydrogen-bonded organic frameworks (HOFs): a new class of porous crystalline proton-conducting materials”, Angewandte Chemie-International Edition, vol. 55, no. 36, pp. 10667-10671, 2016.
, “Effect of a focusing electric field on the formation of arc generated carbon nanotubes”, Nanotechnology, vol. 17, no. 23, pp. 5895-5902, 2006.
, “Modulation of reactivity of singlet radical pair in continuous flow: photo-fries rearrangement”, Journal of Photochemistry and Photobiology A: Chemistry, vol. 364, pp. 316-321, 2018.
, “Molecular control of the band edge movement and the recombination process in donor-acceptor hemicyanine-sensitized solar cells”, Journal of Physical Chemistry C, vol. 121, no. 40, pp. 21836-21847, 2017.
, “Heterotriangulene-based unsymmetrical squaraine dyes: synergistic effects of donor moieties and out-of-plane branched alkyl chains on dye cell performance”, Journal of Materials Chemistry A, vol. 4, pp. 18910-18921, 2016.
, “Morphology and chain dynamics during collapse transition of PNIPAM gels studied by combined imaging, relaxometry and Xe-129 spectroscopy techniques”, Magnetic Resonance Imaging, vol. 23, no. 2, pp. 249-253, 2005.
, “Ultra-fast electro-reduction and activation of graphene for high energy density wearable supercapacitor asymmetrically designed with MXene”, Carbon, vol. 203, pp. 191-201, 2023.
, “Template directed synthesis of boron carbon nitride nanotubes (BCN-NTs) and their evaluation for energy storage properties”, Advanced Materials Interfaces, vol. 10, no. 3, 2023.
, “Facile green synthesis of BCN nanosheets as high-performance electrode material for electrochemical energy storage”, Chemistry-A European Journal, vol. 22, no. 21, pp. 7134-7140, 2016.
, “Honeycomb boron carbon nitride as high-performance anode material for li-ion batteries”, ChemNanoMat, vol. 8, no. 7, p. e202200056, 2022.
“Laser patterning of boron carbon nitride electrodes for flexible micro-supercapacitor with remarkable electrochemical stability/capacity”, Carbon, vol. 171, pp. 750-757, 2021.
, “1,3-Dipolar cycloaddition reaction of D-glucose-derived nitrone with allyl alcohol: synthesis of 2-hydroxy-1-deoxycastanospermine analogues”, Journal of Organic Chemistry, vol. 70, no. 4, pp. 1356-1363, 2005.
, “Liquid phase oxidation of alkanes using Cu/Co-perchlorophthalocyanine immobilized MCM-41 under mild reaction conditions”, Applied Catalysis A-General, vol. 297, no. 2, pp. 220-230, 2006.
, “Synthesis and characterization of mesoporous carbon through inexpensive mesoporous silica as template”, Microporous and Mesoporous Materials, vol. 98, no. 1-3, pp. 189-199, 2007.
, “Thickness tunable transport in alloyed WSSe field effect transistors”, Applied Physics Letters, vol. 109, no. 14, p. Article Number: 142101, 2016.
, “Flow and heat transfer in serpentine channels”, Aiche Journal, vol. 59, no. 5, pp. 1814-1827, 2013.
, “Synthesis and biological evaluation of 2,4,5-trisubstituted thiazoles as antituberculosis agents effective against drug-resistant tuberculosis”, European Journal of Medicinal Chemistry, vol. 178, pp. 315-328, 2019.
, “Inducing disorder in order: hierarchically porous covalent organic framework nanostructures for rapid removal of persistent organic pollutants”, Journal of the American Chemical Society, vol. 141, no. 18, pp. 7572-7581, 2019.
, “Constructing ultraporous covalent organic fameworks in seconds via an organic terracotta process”, Journal of the American Chemical Society , vol. 139, no. 5, pp. 1856-1862, 2017.
, “Porosity prediction through hydrogen bonding in covalent organic frameworks”, Journal of the American Chemical Society, vol. 140, no. 15, pp. 5138-5145, 2018.
, “Morphology tuning via linker modulation: metal-free covalent organic nanostructures with exceptional chemical stability for electrocatalytic water splitting”, Advanced Materials , vol. 36, no. 12, 2024.
, “Construction of highly crystalline ultraporous covalent organic frameworks in seconds”, Acta Crystallographica A‐Foundation and Advances, vol. 70, p. C456, 2014.
, “Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks”, Chemical Communications, vol. 53, no. 26, pp. 3705-3708, 2017.
, “Gas sorption and transport in polyarylates: effect of substituent symmetry and polarity”, Journal of Membrane Science, vol. 303, no. 1-2, pp. 244-251, 2007.
, “Design of novel drug-like molecules using informatics rich secondary metabolites analysis of Indian medicinal and aromatic plants”, Combinatorial Chemistry & High Throughput Screening, vol. 23, no. 10, pp. 1113-1131, 2020.
, “AIDrugApp: artificial intelligence-based Web-App for virtual screening of inhibitors against SARS-COV-2”, Journal of Experimental & Thereotical Artificial Intelligence , vol. 35, no. 3, pp. 395-443, 2023.
, “NaIO4/LiBr-mediated aziridination of olefins using chloramine-T”, Tetrahedron Letters, vol. 51, no. 49, pp. 6460-6462, 2010.
, “Co(III)(salen)-catalyzed phenolic kinetic resolution of two stereocentered benzyloxy and azido epoxides: its application in the synthesis of ICI-118,551, an anti-hypertensive agent”, Organic & Biomolecular Chemistry, vol. 12, no. 15, pp. 2349-2355, 2014.
, “Synthesis of poly-L-glutamic acid grafted silica nanoparticles and their assembly into macroporous structures”, Langmuir, vol. 27, no. 19, pp. 12124-12133, 2011.
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, “Unusual monodentate binding mode of 2,2 `-dipyridylamine (L) in isomeric trans(acac)(2)Ru-II(L)2, trans-[(acac)(2)Ru-III(L)(2)]ClO4, and cis-(acac)(2)Ru-II(L)(2) (acac = acetylacetonate). Synthesis, structures, and spectroscopic, electrochemical, and magn”, Inorganic Chemistry, vol. 44, no. 5, pp. 1571-1579, 2005.
, “Influence of electric field on the global and local reactivity descriptors: reactivity and stability of weakly bonded complexes”, Journal of Physical Chemistry A, vol. 111, no. 2, pp. 375-383, 2007.
, “Copper(II) import and reduction are dependent on His-Met clusters in the extracellular amino terminus of human copper transporter-1”, Journal of Biological Chemistry, vol. 298, no. 3, p. 101631, 2022.
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