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2015
T. Vivekanand, Vinoth, P., Agieshkumar, B., Sampath, N., Sudalai, A., Menendez, C., and Sridharan, V., “Highly efficient regioselective synthesis of pyrroles via a tandem enamine formation-Michael addition-cyclization sequence under catalyst- and solvent-free conditions”, Green Chemistry, vol. 17, no. 6, pp. 3415-3423, 2015.
T. Vivekanand, Vinoth, P., Agieshkumar, B., Sampath, N., Sudalai, A., Menendez, C., and Sridharan, V., “Highly efficient regioselective synthesis of pyrroles via a tandem enamine formation-Michael addition-cyclization sequence under catalyst- and solvent-free conditions”, Green Chemistry, vol. 17, no. 6, pp. 3415-3423, 2015.
S. Verma, Aute, S., Das, A., and Ghosh, H. N., “Hydrogen bond and ligand dissociation dynamics in fluoride sensing of Re(I)-polypyridyl complex”, Journal of Physical Chemistry B, vol. 119, no. 47, pp. 14952-14958, 2015.
A. C. Shaikh, Shalini, S., Vaidhyanathan, R., Mane, M. V., Barui, A. Kumar, Patra, C. Ranjan, Venkatesh, Y., Bangal, P. Ranjan, and Patil, N. T., “Identifying solid luminogens through gold-catalysed intramolecular hydroarylation of alkynes”, European Journal of Organic Chemistry, no. 22, pp. 4860-4867, 2015.
A. C. Shaikh, Shalini, S., Vaidhyanathan, R., Mane, M. V., Barui, A. Kumar, Patra, C. Ranjan, Venkatesh, Y., Bangal, P. Ranjan, and Patil, N. T., “Identifying solid luminogens through gold-catalysed intramolecular hydroarylation of alkynes”, European Journal of Organic Chemistry, no. 22, pp. 4860-4867, 2015.
S. Sasmal, Pathak, H., Nayak, M. K., Vaval, N., and Pal, S., “Implementation of the Z-vector method in the relativistic-coupled-cluster framework to calculate first-order energy derivatives: Application to the SrF molecule”, Physical Review A, vol. 91, no. 3, p. 030503, 2015.
Y. M. Kolekar, Vannuruswamy, G., Bansode, S. B., Santhakumari, B., Thulasiram, H. V., and Kulkarni, M. J., “Investigation of antiglycation activity of isoprenaline”, RSC Advances, vol. 5, no. 32, pp. 25051-25058, 2015.
A. Ghosh, Pal, S., and Vaval, N., “Lifetime of inner-shell hole states of Ar (2p) and Kr (3d) using equation-of-motion coupled cluster method”, Journal of Chemical Physics, vol. 143, no. 2, p. Article No. 024305, 2015.
S. Nandi, Dhavale, V. M., Shalini, S., Werner-Zwanziger, U., Singh, H., Kurungot, S., and Vaidhyanathan, R., “Lithium-assisted proton conduction at 150 degrees C in a microporous triazine-phenol polymer”, Advanced Materials Interfaces, vol. 2, no. 16, p. 1500301, 2015.
K. K. Singh, Tiwari, M. K., Dhar, B. B., Vanka, K., and Gupta, S. Sen, “Mechanism of oxygen atom transfer from Fe-V(O) to olefins at room temperature”, Inorganic Chemistry, vol. 54, no. 13, pp. 6112-6121, 2015.
M. Karthikeyan, Pandit, Y., Pandit, D., and Vyas, R., “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.
R. R. Mawlankar, Mual, P., Sonalkar, V. V., Thorat, M. N., Verma, A., Srinivasan, K., and Dastager, S. Gulam, “Microbacterium enclense sp nov., isolated from sediment sample”, International Journal of Systematic and Evolutionary Microbiology, vol. 65, pp. 2064-2070, 2015.
K. Suranjit Prasad, Vaghasiya, J. V., Soni, S. S., Patel, J., Patel, R., Kumari, M., Jasmani, F., and Selvaraj, K., “Microbial selenium nanoparticles (SeNPs) and their application as a sensitive hydrogen peroxide biosensor”, Applied Biochemistry and Biotechnology, vol. 177, no. 6, pp. 1386-1393, 2015.
A. Pratima G. Nikalje, Nimbalkar, M. Urja D., Tupe, S., Vazquez, J. A. Seijas, and Tato, M. Pilar Vazq, “Molecular sieves and ultrasound-assisted synthesis of novel 1,3,4-oxadiazole-2-thiones derivatives as potential antifungal agents”, in 19TH INTERNATIONAL ELECTRONIC CONFERENCE ON SYNTHETIC ORGANIC CHEMISTRY, ST. ALBAN-ANLAGE 66, BASEL, CH-4052, SWITZERLAND, 2015.
A. Kumar Dutta, Vaval, N., and Pal, S., “New scheme for perturbative triples correction to (0,1) sector of Fock space multi-reference coupled cluster method: Theory, implementation, and examples”, Journal of Chemical Physics, vol. 142, no. 4, p. Article No. 044113, 2015.
D. Mitra, Venkatathari, N., Sabharwal, S. C., Godbole, S. V., Tyagi, A. K., and Das, S., “Novel 2,6-diformyl-4-methyl phenol based chemosensor for Zn-II ion by ratiometric displacement of Cd-II ion and its application for cell imaging on human melanoma cancer cells”, Journal of the Indian Chemical Society, vol. 92, no. 11, pp. 1729-1745, 2015.
S. Sreedhala, Sudheeshkumar, V., and Vinod, C. P., “Oxidation catalysis by large trisoctahedral gold nanoparticles: Mind the step!”, Catalysis Today, vol. 244, pp. 177-183, 2015.
L. Ravichandran, Vaval, N., and Pal, S., “Partial triples excitation to the fock space multi-reference singles and doubles: dipole moment of doublet radicals”, in Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010 (ICCMSE-2010), 2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA, 2015, vol. 1642, pp. 223-226.
D. Mullangi, Nandi, S., Shalini, S., Sreedhala, S., Vinod, C. P., and Vaidhyanathan, R., “Pd loaded amphiphilic COF as catalyst for multi-fold Heck reactions, C-C couplings and CO oxidation”, Scientific Reports, vol. 5, p. 10876, 2015.
D. Mullangi, Nandi, S., Shalini, S., Sreedhala, S., Vinod, C. P., and Vaidhyanathan, R., “Pd loaded amphiphilic COF as catalyst for multi-fold Heck reactions, C-C couplings and CO oxidation”, Scientific Reports, vol. 5, p. 10876, 2015.
R. Vyas, Karthikeyan, M., Nainaru, G., and Muthukrishnan, M., “Pharmacophore and docking based virtual screening of validated mycobacterium tuberculosis targets”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 7, pp. 624-637, 2015.
M. Karthikeyan, Rajamohanan, P. Ramanpilla, and Vyas, R., “Prediction of bioactive compounds using computed NMR chemical shifts”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 562-576, 2015.
S. Gupta, Vinod, C. P., and Jagadeesan, D., “Preparation of mesoporous titanosilicate with isolated Ti active centers for cyclohexene oxidation”, RSC Advances, vol. 5, no. 112, pp. 92371-92377, 2015.
V. Venkataramasubramanian, Kiran, I. N. Chaitha, and Sudalai, A., “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.
M. Karthikeyan, Pandit, D., and Vyas, R., “Protein ligand complex guided approach for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 577-590, 2015.
H. Pathak, Sahoo, B. K., Sengupta, T., Das, B. P., Vaval, N., and Pal, S., “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.
S. Sasmal, Pathak, H., Nayak, M. K., Vaval, N., and Pal, S., “Relativistic extended coupled cluster method for magnetic hyperfine structure constant”, Physical Review A, vol. 91, no. 2, p. Article No. 022512, 2015.
A. S. Nagpure, Venugopal, A. Kumar, Lucas, N., Manikandan, M., Thirumalaiswamy, R., and Chilukuri, S. V., “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.
K. N. Vijayadas, Kotmale, A. S., Thorat, S. H., Gonnade, R. G., Nair, R. V., Rajamohanan, P. R., and Sanjayan, G. J., “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.
M. Karthikeyan, Vyas, R., Tambe, S. S., Radhamohan, D., and Kulkarni, B. D., “Role of chemical reactivity and transition state modeling for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 7, pp. 638-657, 2015.
M. Karthikeyan and Vyas, R., “Role of data and methods in chemoinformatics for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 7, pp. 622-623, 2015.
M. Karthikeyan and Vyas, R., “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.
P. Natarajan, Patil, K. M., Vij, M., Yadav, A. K., Kumar, V. A., Ganguli, M., and Fernandes, M., “RXR-carbamate - a novel molecular transporter for skin”, Molecular Therapy, vol. 23, pp. S64-S64, 2015.
S. Kandambeth, Venkatesh, V., Shinde, D. B., Kumari, S., Halder, A., Verma, S., and Banerjee, R., “Self-templated chemically stable hollow spherical covalent organic framework”, Nature Communications, vol. 6, p. 6786, 2015.
S. Kandambeth, Venkatesh, V., Shinde, D. B., Kumari, S., Halder, A., Verma, S., and Banerjee, R., “Self-templated chemically stable hollow spherical covalent organic framework”, Nature Communications, vol. 6, p. 6786, 2015.
P. Chandra, Doke, D. S., Umbarkar, S. B., Vanka, K., and Biradar, A. V., “Silica microspheres containing high density surface hydroxyl groups as efficient epoxidation catalysts”, RSC Advances, vol. 5, no. 27, pp. 21125-21131, 2015.
M. Mujahid, Perumal, Y., Sriram, D., Basavanag, U. M. V., Dıaz-Cervantes, E., Cordoba-Bahena, L., Robles, J., Gonnade, R. Ghanshyam, Karthikeyan, M., Vyas, R., and M. Krishnan, M., “Spirochromone-chalcone conjugates as antitubercular agents: synthesis, bio evaluation and molecular modeling studies”, RSC Advances, vol. 5, no. 129, 2015.
A. Kulkarni, Lele, A. K., Sivaram, S., Rajamohanan, P. R., Velankar, S., and Chatterji, A., “Star telechelic poly(L-lactide) ionomers”, Macromolecules, vol. 48, no. 18, pp. 6580-6588, 2015.
D. Chand, Varshney, N. K., Ramasamy, S., Panigrahi, P., Brannigan, J. A., Wilkinson, A. J., and Suresh, C. G., “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.
P. M. Vadhadiya, Rout, J. K., and Ramana, C. V., “Studies toward the total synthesis of cytospolide E”, Tetrahedron, vol. 71, no. 48, pp. 9088-9094, 2015.
R. Vyas, Bapat, S., Jain, E., Tambe, S. S., Karthikeyan, M., and Kulkarni, B. D., “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.
S. Sreedhala and Vinod, C. P., “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.
A. Pariyar, Vijaykumar, G., Bhunia, M., Dey, S. Kr., Singh, S. K., Kurungot, S., and Mandal, S. K., “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.
H. B. Borate, Annadate, R. A., Vagh, S. S., Pisal, M. M., Deokate, S. B., Arkile, M. A., Jadhav, N. J., Nawale, L. U., and Sarkar, D., “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.
S. Kundu, Yadav, R. Manohar, Narayanan, T. N., Shelke, M. V., Vajtai, R., Ajayan, P. M., and Pillai, V. K., “Synthesis of N, F and S co-doped graphene quantum dots”, Nanoscale, vol. 7, no. 27, pp. 11515-11519, 2015.
A. S. Karne, Vaval, N., Pal, S., Vasquez-Perez, J. M., Koester, A. M., and Calaminici, P., “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.
A. S. Karne, Vaval, N., Pal, S., Vasquez-Perez, J. M., Koester, A. M., and Calaminici, P., “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.
A. S. Karne, Vaval, N., Pal, S., Vasquez-Perez, J. M., Koester, A. M., and Calaminici, P., “Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities”, Chemical Physics Letters, vol. 635, pp. 168-173, 2015.
A. S. Karne, Vaval, N., Pal, S., Vasquez-Perez, J. M., Koester, A. M., and Calaminici, P., “Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities”, Chemical Physics Letters, vol. 635, pp. 168-173, 2015.
A. S. Pawbake, Island, J. O., Flores, E., Ares, J. Ramon, Sanchez, C., Ferrer, I. J., Jadkar, S. R., van der Zant, H. S. J., Castellanos-Gomez, A., and Late, D. J., “Temperature-dependent raman spectroscopy of titanium trisulfide (TiS3) nanoribbons and nanosheets”, ACS Applied Materials & Interfaces, vol. 7, no. 43, pp. 24185-24190, 2015.
P. M. Vadhadiya and Ramana, C. V., “Total synthesis of sinenside A”, Organic Letters, vol. 17, no. 7, pp. 1724-1727, 2015.
A. Pandreka, Dandekar, D. S., Haldar, S., Uttara, V., Vijayshree, S. G., Mulani, F. A., Aarthy, T., and Thulasiram, H. V., “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.
D. Vernekar and Jagadeesan, D., “Tunable acid-base bifunctional catalytic activity of FeOOH in an orthogonal tandem reaction”, Catalysis Science & Technology, vol. 5, no. 8, pp. 4029-4038, 2015.
2014
M. K. Munshi, Gade, S. M., Mane, M. V., Mishra, D., Pal, S., Vanka, K., Rane, V. H., and Kelkar, A. A., “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.
S. Kadam and Vanka, K., “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.
K. Rao Vankudoth and Sivadevuni, G., “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.
V. S. Shende, Shingote, S. K., Deshpande, S. H., Kuriakose, N., Vanka, K., and Kelkar, A. A., “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.
D. Raju, Vishwakarma, R. K., Khan, B. Mohammad, Mehta, U. J., and Ahmad, A., “Biological synthesis of cationic gold nanoparticles and binding of plasmid DNA”, Materials Letters, vol. 129, pp. 159-161, 2014.
A. Pal and Vanka, K., “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.
S. H. Thorat, Patwadkar, M. V., Gonnade, R. G., and Vaidhyanathan, R., “Capturing a novel metastable polymorph of the anticancer drug gefitinib”, CrystEngComm, vol. 16, no. 37, pp. 8638-8641, 2014.
M. Karthikeyan and Vyas, R., “Chemoinformatics approach for the design and screening of focused virtual libraries”, in Practical Chemoinformatics, India: Springer, 2014, pp. 93-131.
N. Mohammad, Malvi, P., Meena, A. Singh, Singh, S. Vikram, Chaube, B., Vannuruswamy, G., Kulkarni, M. J., and Bhat, M. Kumar, “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.
B. Ahmad Dar, Singh, S., Pandey, N., Singh, A. P., Sharma, P., Lazar, A., Sharma, M., Vishwakarma, R. A., and Singh, B., “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.
A. Ghosh, Vaval, N., Pal, S., and Bartlett, R. J., “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.
Y. Sajeev, Ghosh, A., Vaval, N., and Pal, S., “Coupled cluster methods for autoionisation resonances”, International Reviews in Physical Chemistry, vol. 33, no. 3, pp. 397-425, 2014.
J. Kumawat, Gupta, V. Kumar, and Vanka, K., “Donor decomposition by lewis acids in Ziegler-Natta catalyst systems: a computational investigation”, Organometallics, vol. 33, no. 17, pp. 4357-4367, 2014.
S. S. Soni, Fadadu, K. B., Vekariya, R. L., Debgupta, J., Patel, K. D., Gibaud, A., and Aswal, V. K., “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.
D. Bhattacharya, Vaval, N., and Pal, S., “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.
S. Deshpande, Venugopal, E., Ramagiri, S., Bellare, J. R., Kumaraswamy, G., and Singh, N., “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.
V. Venkatesh, Pachfule, P., Banerjee, R., and Verma, S., “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.
V. Venkatesh, Pachfule, P., Banerjee, R., and Verma, S., “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.
S. P. Joshi and Vaval, N., “Extended coupled cluster method for potential energy surface: a decoupled approach”, Chemical Physics Letters, vol. 612, pp. 209-213, 2014.
K. Rao Vankudoth, Penugonda, S., Sivadevuni, G., and Reddy, S. M., “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.
S. Vinayasree, Soloman, M. A., Sunny, V., Mohanan, P., Kurian, P., Joy, P. Alias, and Anantharaman, M. R., “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.
C. Voirin, Caillol, S., Sadavarte, N. V., Tawade, B. V., Boutevin, B., and Wadgaonkar, P. P., “Functionalization of cardanol: towards biobased polymers and additives”, Polymer Chemistry, vol. 5, no. 9, pp. 3142-3162, 2014.
P. R. Sharma and Varma, A., “Functionalized celluloses and their nanoparticles: morphology, thermal properties, and solubility studies”, Carbohydrate Polymers, vol. 104, no. 1, pp. 135-142, 2014.
A. Ghosh and Vaval, N., “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.
S. Singh Negi, Venugopalan, A. Thareparam, Raja, T., Singh, A. Pal, and Gopinath, C. S., “Green chemistry approach to styrene from ethylbenzene and air on MnxTi1-xO2 catalyst”, RSC Advances, vol. 4, no. 100, pp. 57087-57097, 2014.
A. Kumar Dutta, Manohar, P. Uday, Vaval, N., and Pal, S., “Ground state of naphthyl cation: singlet or triplet?”, Journal of Chemical Physics, vol. 140, no. 11, p. 114312, 2014.
R. V. Nair, Vijayadas, K. N., Roy, A., and Sanjayan, G. J., “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.
S. Iwama, Kuyama, K., Mori, Y., Manoj, K., Gonnade, R. G., Suzuki, K., Hughes, C. E., P. Williams, A., Harris, K. D. M., Veesler, S., Takahashi, H., Tsue, H., and Tamura, R., “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.
S. H. Chikkali, van der Vlugt, J. Ivar, and Reek, J. N. H., “Hybrid diphosphorus ligands in rhodium catalysed asymmetric hydroformylation”, Coordination Chemistry Reviews, vol. 262, pp. 1-15, 2014.
H. Prakash Veluswamy, Kumar, R., and Linga, P., “Hydrogen storage in clathrate hydrates: Current state of the art and future directions”, Applied Energy, vol. 122, pp. 112-132, 2014.
V. T. Natarajan, Ganju, P., Singh, A., Vijayan, V., Kirty, K., Yadav, S., Puntambekar, S., Bajaj, S., Dani, P. P., Kar, H. K., Gadgil, C. J., Natarajan, K., Rani, R., and Gokhale, R. S., “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.
K. Rao Vankudoth, “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.
A. Kumar Dutta, Gupta, J., Vaval, N., and Pal, S., “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.
V. T. Humne, Dangat, Y. B., Vanka, K., and Lokhande, P., “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.
M. Karthikeyan and Vyas, R., “Machine learning methods in chemoinformatics for drug discovery”, in Practical Chemoinformatics, Springer, 2014, pp. 133-194.
Ruby, Kumar, R. J. Santosh, Vishwakarma, R. K., Singh, S., and Khan, B. Mohammad, “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.
T. Palaniselvam, Valappil, M. Ozhukil, Illathvalappil, R., and Kurungot, S., “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.
J. Kumawat, Gupta, V. Kumar, and Vanka, K., “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.
N. Kuriakose and Vanka, K., “New insights into small molecule activation by acyclic silylenes: a computational investigation”, Dalton Transactions, vol. 43, no. 5, pp. 2194-2201, 2014.
R. Mukherji, Varshney, N. Kumar, Panigrahi, P., Suresh, C. G., and Prabhune, A., “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.
B. R. Iyengar, Choudhary, A., Sarangdhar, M. A., Venkatesh, K. V., Gadgil, C. J., and Pillai, B., “Non-coding RNA interact to regulate neuronal development and function”, Frontiers in Cellular Neuroscience, vol. 8, p. 47, 2014.
S. Verma, Kumar, A., Pravarthana, D., Deshpande, A., Ogale, S. B., and Yusuf, S. M., “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.
S. Singh, Venugopalan, V., and Krishnamoorthy, K., “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.
A. Kumar Dutta, Gupta, J., Pathak, H., Vaval, N., and Pal, S., “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.
R. Vyas, Goel, P., Karthikeyan, M., Tambe, S. S., and Kulkarni, B. D., “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.
M. V. Mane and Vanka, K., “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.
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