biblio
, “Proline-catalyzed alpha-aminooxylation of beta-amino aldehydes: access to enantiomerically pure syn- and anti-3-amino-3-aryl-1,2-alkanediols”, Synlett, vol. 26, no. 3, pp. 355-358, 2015.
, “Protein ligand complex guided approach for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 577-590, 2015.
, “Relativistic equation-of-motion coupled-cluster investigation of the trends of single and double ionization potentials in the He and Be isoelectronic systems”, Journal of Physics B-Atomic Molecular and Optical Physics, vol. 48, no. 11, p. 115009, 2015.
, “Relativistic extended coupled cluster method for magnetic hyperfine structure constant”, Physical Review A, vol. 91, no. 2, p. Article No. 022512, 2015.
, “Renewable fuels from biomass-derived compounds: Ru-containing hydrotalcites as catalysts for conversion of HMF to 2,5-dimethylfuran”, Catalysis Science & Technology, vol. 5, no. 3, pp. 1463-1472, 2015.
, “Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif”, Organic & Biomolecular Chemistry, vol. 13, no. 10, pp. 3064-3069, 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.
, “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 open source tools and resources in virtual screening for drug discovery”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 528-543, 2015.
, “RXR-carbamate - a novel molecular transporter for skin”, Molecular Therapy, vol. 23, pp. S64-S64, 2015.
, “Self-templated chemically stable hollow spherical covalent organic framework”, Nature Communications, vol. 6, p. 6786, 2015.
, “Self-templated chemically stable hollow spherical covalent organic framework”, Nature Communications, vol. 6, p. 6786, 2015.
, “Silica microspheres containing high density surface hydroxyl groups as efficient epoxidation catalysts”, RSC Advances, vol. 5, no. 27, pp. 21125-21131, 2015.
, “Spirochromone-chalcone conjugates as antitubercular agents: synthesis, bio evaluation and molecular modeling studies”, RSC Advances, vol. 5, no. 129, 2015.
, “Star telechelic poly(L-lactide) ionomers”, Macromolecules, vol. 48, no. 18, pp. 6580-6588, 2015.
, “Structure mediation in substrate binding and post-translational processing of penicillin acylases: Information from mutant structures of Kluyvera citrophila penicillin G acylase”, Protein Science, vol. 24, no. 10, pp. 1660-1670, 2015.
, “Studies toward the total synthesis of cytospolide E”, Tetrahedron, vol. 71, no. 48, pp. 9088-9094, 2015.
, “Study of applications of machine learning based classification methods for virtual screening of lead molecules”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 7, pp. 658-672, 2015.
, “Surfactant assisted formation of ruthenium nanochains under mild conditions and their catalytic CO oxidation activity”, Chemical Communications, vol. 51, no. 50, pp. 10178-10181, 2015.
, “Switching closed-shell to open-shell phenalenyl: toward designing electroactive materials”, Journal of the American Chemical Society, vol. 137, no. 18, pp. 5955-5960, 2015.
, “Synthesis and evaluation of thieno[2,3-d]pyrimidin-4(3H)-ones as potential antitubercular agents”, MedChemComm, vol. 6, no. 12, pp. 2209-2215, 2015.
, “Synthesis of N, F and S co-doped graphene quantum dots”, Nanoscale, vol. 7, no. 27, pp. 11515-11519, 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.
, “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.
, “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”, Chemical Physics Letters, vol. 635, pp. 168-173, 2015.
, “Temperature-dependent raman spectroscopy of titanium trisulfide (TiS3) nanoribbons and nanosheets”, ACS Applied Materials & Interfaces, vol. 7, no. 43, pp. 24185-24190, 2015.
, “Total synthesis of sinenside A”, Organic Letters, vol. 17, no. 7, pp. 1724-1727, 2015.
, “Triterpenoid profiling and functional characterization of the initial genes involved in isoprenoid biosynthesis in neem (Azadirachta indica)”, BMC Plant Biology, vol. 15, p. Article Number: 214, 2015.
, “Tunable acid-base bifunctional catalytic activity of FeOOH in an orthogonal tandem reaction”, Catalysis Science & Technology, vol. 5, no. 8, pp. 4029-4038, 2015.
, “1,8-Diazabicyclo[5.4.0]undec-7-ene (DBU): a highly efficient catalyst in glycerol carbonate synthesis”, Journal of Molecular Catalysis A-Chemical, vol. 391, pp. 144-149, 2014.
, “Accounting of noise to solve the problem of negative populations in approximate accelerated stochastic simulations”, RSC Advances, vol. 4, no. 102, pp. 58127-58136, 2014.
, “Antimicrobial and dna damaging activity of ochratoxin a extracted from Penicillium species”, International Journal of Pharma and Bio Sciences, vol. 5, no. 4, pp. 335-341, 2014.
, “Asymmetric transfer hydrogenation of imines in water/methanol co-solvent system and mechanistic investigation by DFT study”, RSC Advances, vol. 4, no. 86, pp. 46351-46356, 2014.
, “Biological synthesis of cationic gold nanoparticles and binding of plasmid DNA”, Materials Letters, vol. 129, pp. 159-161, 2014.
, “Can silylenes rival transition metal systems in bond-strengthening pi-back donation? a computational investigation”, Chemical Communications, vol. 50, no. 62, pp. 8522-8525, 2014.
, “Capturing a novel metastable polymorph of the anticancer drug gefitinib”, CrystEngComm, vol. 16, no. 37, pp. 8638-8641, 2014.
, “Chemoinformatics approach for the design and screening of focused virtual libraries”, in Practical Chemoinformatics, India: Springer, 2014, pp. 93-131.
, “Cholesterol depletion by methyl-beta-cyclodextrin augments tamoxifen induced cell death by enhancing its uptake in melanoma”, Molecular Cancer, vol. 13, p. Article No. 204, 2014.
, “Clay encapsulated Cu(OH)(x) promoted homocoupling of arylboronic acids: an efficient and eco-friendly protocol”, Applied Catalysis A-General, vol. 470, pp. 232-238, 2014.
, “Complex absorbing potential based equation-of-motion coupled cluster method for the potential energy curve of CO2- anion”, Journal of Chemical Physics, vol. 141, no. 16, p. Article No. 164113, 2014.
, “Coupled cluster methods for autoionisation resonances”, International Reviews in Physical Chemistry, vol. 33, no. 3, pp. 397-425, 2014.
, “Donor decomposition by lewis acids in Ziegler-Natta catalyst systems: a computational investigation”, Organometallics, vol. 33, no. 17, pp. 4357-4367, 2014.
, “Effect of self-assembly on triiodide diffusion in water based polymer gel electrolytes: an application in dye solar cell”, Journal of Colloid and Interface Science, vol. 425, pp. 110-117, 2014.
, “Electronic transition dipole moment: a semi-biorthogonal approach within valence universal coupled cluster framework”, International Journal of Quantum Chemistry, vol. 114, no. 18, pp. 1212-1219, 2014.
, “Enhancing cubosome functionality by coating with a single layer of poly-epsilon-lysine”, ACS Applied Materials & Interfaces, vol. 6, no. 19, pp. 17126-17133, 2014.
, “Evolution of an adenine-copper cluster to a highly porous cuboidal framework: solution-phase ripening and gas-adsorption properties”, Chemistry-A European Journal, vol. 20, no. 38, pp. 12262-12268, 2014.
, “Evolution of an adenine-copper cluster to a highly porous cuboidal framework: solution-phase ripening and gas-adsorption properties”, Chemistry-A European Journal, vol. 20, no. 38, pp. 12262-12268, 2014.
, “Extended coupled cluster method for potential energy surface: a decoupled approach”, Chemical Physics Letters, vol. 612, pp. 209-213, 2014.
, “Factors influence on growth, don and niv production by two species of fusarium isolated from finger millets [eleusine coracana l.]”, International Journal of Pharmacy and Pharmaceutical Sciences, vol. 6, no. 11, pp. 312-317, 2014.
, “Flexible microwave absorbers based on barium hexaferrite, carbon black, and nitrile rubber for 2-12 GHz applications”, Journal of Applied Physics, vol. 116, no. 2, p. 024902, 2014.
, “Functionalization of cardanol: towards biobased polymers and additives”, Polymer Chemistry, vol. 5, no. 9, pp. 3142-3162, 2014.
, “Functionalized celluloses and their nanoparticles: morphology, thermal properties, and solubility studies”, Carbohydrate Polymers, vol. 104, no. 1, pp. 135-142, 2014.
, “Geometry-dependent lifetime of Interatomic coulombic decay using equation-of-motion coupled cluster method”, Journal of Chemical Physics, vol. 141, no. 23, p. Article No. 234108, 2014.
, “Green chemistry approach to styrene from ethylbenzene and air on MnxTi1-xO2 catalyst”, RSC Advances, vol. 4, no. 100, pp. 57087-57097, 2014.
, “Ground state of naphthyl cation: singlet or triplet?”, Journal of Chemical Physics, vol. 140, no. 11, p. 114312, 2014.
, “Heterogeneous foldamers from aliphatic-aromatic amino acid building blocks: current trends and future prospects”, European Journal of Organic Chemistry, vol. 46, no. 9, pp. 7763-7780, 2014.
, “Highly efficient chiral resolution of DL-arginine by cocrystal formation followed by recrystallization under preferential-enrichment conditions”, Chemistry-A European Journal, vol. 20, no. 33, pp. 10343-10350, 2014.
, “Hybrid diphosphorus ligands in rhodium catalysed asymmetric hydroformylation”, Coordination Chemistry Reviews, vol. 262, pp. 1-15, 2014.
, “Hydrogen storage in clathrate hydrates: Current state of the art and future directions”, Applied Energy, vol. 122, pp. 112-132, 2014.
, “IFN-gamma signaling maintains skin pigmentation homeostasis through regulation of melanosome maturation”, Proceedings of the National Academy of Sciences of the United States of America, vol. 111, no. 6, pp. 2301-2306, 2014.
, “Influence of different species of Penicillium and their culture filtrates on seed germination and seedling growth of sorghum”, Journal of Biochemical Technology, vol. 5, no. 4, pp. 832 - 837, 2014.
, “Intermediate hamiltonian fock space multireference coupled cluster approach to core excitation spectra”, Journal of Chemical Theory and Computation, vol. 10, no. 9, pp. 3656-3668, 2014.
, “Iodine-catalyzed aromatization of tetrahydrocarbazoles and its utility in the synthesis of glycozoline and murrayafoline A: a combined experimental and computational investigation”, Organic & Biomolecular Chemistry, vol. 12, no. 27, pp. 4832-4836, 2014.
, “Machine learning methods in chemoinformatics for drug discovery”, in Practical Chemoinformatics, Springer, 2014, pp. 133-194.
, “Molecular cloning and characterization of genistein 4'-O-glucoside specific glycosyltransferase from Bacopa monniera”, Molecular Biology Reports, vol. 41, no. 7, pp. 4675-4688, 2014.
, “Nanoporous graphene by quantum dots removal from graphene and its conversion to a potential oxygen reduction electrocatalyst via nitrogen doping”, Energy & Environmental Science, vol. 7, no. 7, pp. 1059-1067, 2014.
, “Nature of the active site in ziegler-natta olefin polymerization catalysis systems - a computational investigation”, European Journal of Inorganic Chemistry, no. 29, pp. 5063-5076, 2014.
, “New insights into small molecule activation by acyclic silylenes: a computational investigation”, Dalton Transactions, vol. 43, no. 5, pp. 2194-2201, 2014.
, “New role for penicillin acylases: degradation of acyl homoserine lactone quorum sensing signals by Kluyvera citrophila penicillin G acylase”, Enzyme and Microbial Technology , vol. 56, pp. 1-7, 2014.
, “Non-coding RNA interact to regulate neuronal development and function”, Frontiers in Cellular Neuroscience, vol. 8, p. 47, 2014.
, “Off-stoichiometric nickel cobaltite nanoparticles: thermal stability, magnetization, and neutron diffraction studies”, Journal of Physical Chemistry C, vol. 118, no. 29, pp. 16246-16254, 2014.
, “Organic soluble and uniform film forming oligoethylene glycol substituted BODIPY small molecules with improved hole mobility”, Physical Chemistry Chemical Physics, vol. 16, no. 26, pp. 13376-13382, 2014.
, “Partitioned EOMEA-MBPT(2): an efficient N-5 scaling method for calculation of electron affinities”, Journal of Chemical Theory and Computation, vol. 10, no. 5, pp. 1923-1933, 2014.
, “Pharmacokinetic modeling of caco-2 cell permeability using genetic programming (GP) method”, Letters in Drug Design & Discovery, vol. 11, no. 9, pp. 1112-1118, 2014.
, “Proposing efficient new pendant group polymer electrolyte membranes for fuel cells: a computational study”, Journal of Physical Chemistry C, vol. 118, no. 2, pp. 784-795, 2014.
, “Proteomics of arsenic stress in the gram-positive organism Exiguobacterium sp PS NCIM 5463”, Applied Microbiology and Biotechnology, vol. 98, no. 15, pp. 6761-6773, 2014.
, “Quantitative evaluation of the ability of ionic liquids to offset the cold-induced unfolding of proteins”, Physical Chemistry Chemical Physics, vol. 16, no. 30, pp. 15806-15810, 2014.
, “Rapid efficient synthesis and characterization of silver, gold, and bimetallic nanoparticles from the medicinal plant plumbago zeylanica and their application in biofilm control”, International Journal of Nanomedicine, vol. 9, pp. 2635-2653, 2014.
, “Relativistic equation-of-motion coupled-cluster method: application to closed-shell atomic systems”, Physical Review Applied, vol. 89, no. 4, p. 042510, 2014.
, “Relativistic equation-of-motion coupled-cluster method for the double-ionization potentials of closed-shell atoms”, Physical Review A, vol. 90, no. 1, p. Article No. 010501, 2014.
, “Relativistic equation-of-motion coupled-cluster method for the ionization problem: application to molecules”, Physical Review A, vol. 90, no. 6, p. Article No. 062501, 2014.
, “Scaling behavior of resistive switching in epitaxial bismuth ferrite heterostructures”, Advanced Functional Materials, vol. 24, no. 25, pp. 3962-3969, 2014.
, “Scaling behavior of resistive switching in epitaxial bismuth ferrite heterostructures”, Advanced Functional Materials, vol. 24, no. 25, pp. 3962-3969, 2014.
, “Second generation, arginine-rich (R-X `-R)(4)-type cell-penetrating alpha-omega-alpha-peptides with constrained, chiral omega-amino acids (X `) for enhanced cargo delivery into cells”, Bioorganic & Medicinal Chemistry Letters, vol. 24, no. 17, pp. 4198-4202, 2014.
, “Sequential electrochemical unzipping of single-walled carbon nanotubes to graphene ribbons revealed by in situ Raman spectroscopy and imaging”, ACS Nano, vol. 8, no. 1, pp. 234-242, 2014.
, “Size quantization effects on interfacial electron transfer dynamics in Ru(II)-polypyridyl complex sensitized ZnO QDs”, Journal of Physical Chemistry C, vol. 118, no. 49, pp. 28898-28905, 2014.
, “Steady state fluorescence studies of wild type recombinant cinnamoyl CoA reductase (Ll-CCRH1) and its active site mutants”, Journal of Fluorescence, vol. 24, no. 3, pp. 665-673, 2014.
, “Structure and dynamics of benzyl-NX3 (X = Me, Et) trifluoromethanesulfonate ionic liquids”, Journal of Physical Chemistry B, vol. 118, no. 7, pp. 1831-1838, 2014.
, “Structure sensitive chemical reactivity by palladium concave nanocubes and nanoflowers synthesised by a seed mediated procedure in aqueous medium”, Nanoscale, vol. 6, no. 13, pp. 7496-7502, 2014.
, “Structure, stability, and properties of the trans peroxo nitrate radical: the importance of nondynamic correlation”, Journal of Physical Chemistry A, vol. 118, no. 8, pp. 1350-1362, 2014.
, “Supramolecular transitions in native cellulose-I during progressive oxidation reaction leading to quasi-spherical nanoparticles of 6-carboxycellulose”, Carbohydrate Polymers, vol. 113, pp. 615-623, 2014.
, “Synthesis and electrochemistry of pseudocapacitive multilayer fullerenes and MnO2 nanocomposites”, Journal of Materials Chemistry A, vol. 2, no. 7, pp. 2152-2159, 2014.
, “Synthesis and electrochemistry of pseudocapacitive multilayer fullerenes and MnO2 nanocomposites (vol 2, pg 2152, 2014)”, Journal of Materials Chemistry A, vol. 2, no. 40, p. 17186, 2014.
, “Synthesis and reactivity of magnetically diverse Au@ Ni core-shell nanostructures”, Particle & Particle Systems Characterization, vol. 31, no. 2, pp. 236-244, 2014.
, “Synthesis of alpha,beta-unsaturated delta-lactones by vinyl acetate mediated asymmetric cross-aldol reaction of acetaldehyde: mechanistic insights”, European Journal of Organic Chemistry, no. 24, pp. 5247-5255, 2014.
, “Thermal stability of cellulose and their nanoparticles: Effect of incremental increases in carboxyl and aldehyde groups”, Carbohydrate Polymers, vol. 114, pp. 339-343, 2014.
, “Titania nanoparticles stabilized HPA in SBA-15 for the intermolecular hydroamination of activated olefins”, ChemCatChem, vol. 6, no. 12, pp. 3347-3354, 2014.
, “Total synthesis of deoxy-solomonamide B by mimicking biogenesis”, Organic Letters, vol. 16, no. 23, pp. 6148-6151, 2014.
, “Total synthesis of mangiferaelactone”, Tetrahedron Letters, vol. 55, no. 45, pp. 6263-6265, 2014.