Jerzy Leszczynski to Water
This is a "connection" page, showing publications Jerzy Leszczynski has written about Water.
Connection Strength
7.165
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Kar S, Sanderson H, Roy K, Benfenati E, Leszczynski J. Green Chemistry in the Synthesis of Pharmaceuticals. Chem Rev. 2022 02 09; 122(3):3637-3710.
Score: 0.705
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Golius A, Gorb L, Michalkova Scott A, Hill FC, Shukla M, Goins AB, Johnson DR, Leszczynski J. Experimental and computational study of membrane affinity for selected energetic compounds. Chemosphere. 2016 Apr; 148:322-7.
Score: 0.469
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Zubatiuk T, Shishkin O, Gorb L, Hovorun D, Leszczynski J. Structural waters in the minor and major grooves of DNA--a major factor governing structural adjustments of the A-T mini-helix. J Phys Chem B. 2015 Jan 15; 119(2):381-91.
Score: 0.435
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Furmanchuk A, Isayev O, Gorb L, Shishkin OV, Hovorun DM, Leszczynski J. Novel view on the mechanism of water-assisted proton transfer in the DNA bases: bulk water hydration. Phys Chem Chem Phys. 2011 Mar 14; 13(10):4311-7.
Score: 0.331
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Furmanchuk A, Shishkin OV, Isayev O, Gorb L, Leszczynski J. New insight on structural properties of hydrated nucleic acid bases from ab initio molecular dynamics. Phys Chem Chem Phys. 2010 Sep 07; 12(33):9945-54.
Score: 0.317
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Furmanchuk A, Isayev O, Shishkin OV, Gorb L, Leszczynski J. Hydration of nucleic acid bases: a Car-Parrinello molecular dynamics approach. Phys Chem Chem Phys. 2010 Apr 14; 12(14):3363-75.
Score: 0.314
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Kholod YA, Muratov EN, Gorb LG, Hill FC, Artemenko AG, Kuz'min VE, Qasim M, Leszczynski J. Application of quantum chemical approximations to environmental problems: prediction of water solubility for nitro compounds. Environ Sci Technol. 2009 Dec 15; 43(24):9208-15.
Score: 0.307
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Michalkova A, Kosenkov D, Gorb L, Leszczynski J. Thermodynamics and kinetics of intramolecular water assisted proton transfer in Na+ -1-methylcytosine water complexes. J Phys Chem B. 2008 Jul 24; 112(29):8624-33.
Score: 0.277
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Close DM, Crespo-Hern?ndez CE, Gorb L, Leszczynski J. Theoretical elucidation of conflicting experimental data on vertical ionization potentials of microhydrated thymine. J Phys Chem A. 2008 May 15; 112(19):4405-9.
Score: 0.273
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Shukla MK, Leszczynski J. Hydration-dependent structural deformation of guanine in the electronic singlet excited state. J Phys Chem B. 2008 Apr 24; 112(16):5139-52.
Score: 0.273
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Wielgus P, Gora RW, Szefczyk B, Roszak S, Leszczynski J. On the influence of microsolvation by argon atoms on the electron affinity properties of water dimer. J Chem Phys. 2006 Mar 07; 124(9):94304.
Score: 0.236
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Close DM, Crespo-Hern?ndez CE, Gorb L, Leszczynski J. The influence of microhydration on the ionization energy thresholds of uracil and thymine. J Phys Chem A. 2005 Oct 20; 109(41):9279-83.
Score: 0.230
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Shukla MK, Leszczynski J. Effect of hydration on the lowest singlet PiPi* excited-state geometry of guanine: a theoretical study. J Phys Chem B. 2005 Sep 15; 109(36):17333-9.
Score: 0.229
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Shukla MK, Leszczynski J. Excited state proton transfer in guanine in the gas phase and in water solution: a theoretical study. J Phys Chem A. 2005 Sep 01; 109(34):7775-80.
Score: 0.228
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Burda JV, Shukla MK, Leszczynski J. Theoretical model of the aqua-copper [Cu(H2O)5]+ cation interactions with guanine. J Mol Model. 2005 Sep; 11(4-5):362-9.
Score: 0.224
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Roy JK, Pinto HP, Leszczynski J. Interaction of epoxy-based hydrogels and water: A molecular dynamics simulation study. J Mol Graph Model. 2021 07; 106:107915.
Score: 0.168
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Gorb L, Zubatiuk TA, Zubatyuk R, Hovorun D, Leszczynski J. d(A)3d(T)3 and d(G)3d(C)3 B-DNA mini-helixes: the DFT/M06-2x and DFT/B97-D3 comparison of geometrical and energetic characteristics. J Mol Model. 2017 Sep 26; 23(10):289.
Score: 0.132
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Sviatenko LK, Isayev O, Gorb L, Hill FC, Leszczynska D, Leszczynski J. Are the reduction and oxidation properties of nitrocompounds dissolved in water different from those produced when adsorbed on a silica surface? A DFT M05-2X computational study. J Comput Chem. 2015 May 30; 36(14):1029-35.
Score: 0.110
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Paytakov G, Gorb L, Stepanyugin A, Samiylenko S, Hovorun D, Leszczynski J. Homodimers of cytosine and 1-methylcytosine. A DFT study of geometry, relative stability and H-NMR shifts in gas-phase and selected solvents. J Mol Model. 2014 Mar; 20(3):2115.
Score: 0.102
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Rhaman MM, Ahmed L, Wang J, Powell DR, Leszczynski J, Hossain MA. Encapsulation and selectivity of sulfate with a furan-based hexaazamacrocyclic receptor in water. Org Biomol Chem. 2014 Apr 07; 12(13):2045-8.
Score: 0.102
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Wang J, Gu J, Nguyen MT, Springsteen G, Leszczynski J. From formamide to adenine: a self-catalytic mechanism for an abiotic approach. J Phys Chem B. 2013 Nov 14; 117(45):14039-45.
Score: 0.100
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Karabulut S, Leszczynski J. Anomeric and rotameric preferences of glucopyranose in vacuo, water and organic solvents. J Mol Model. 2013 Sep; 19(9):3637-45.
Score: 0.098
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Nguyen VS, Orlando TM, Leszczynski J, Nguyen MT. Theoretical study of the decomposition of formamide in the presence of water molecules. J Phys Chem A. 2013 Mar 28; 117(12):2543-55.
Score: 0.096
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Wang J, Gu J, Nguyen MT, Springsteen G, Leszczynski J. From formamide to purine: an energetically viable mechanistic reaction pathway. J Phys Chem B. 2013 Feb 28; 117(8):2314-20.
Score: 0.095
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Gu J, Leszczynski J, Schaefer HF. Interactions of electrons with bare and hydrated biomolecules: from nucleic acid bases to DNA segments. Chem Rev. 2012 Nov 14; 112(11):5603-40.
Score: 0.091
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Primera-Pedrozo OM, Arslan Z, Rasulev B, Leszczynski J. Room temperature synthesis of PbSe quantum dots in aqueous solution: stabilization by interactions with ligands. Nanoscale. 2012 Feb 21; 4(4):1312-20.
Score: 0.089
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Michalkova A, Robinson TL, Leszczynski J. Adsorption of thymine and uracil on 1:1 clay mineral surfaces: comprehensive ab initio study on influence of sodium cation and water. Phys Chem Chem Phys. 2011 May 07; 13(17):7862-81.
Score: 0.084
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Sheng Y, Bean HD, Mamajanov I, Hud NV, Leszczynski J. Comprehensive investigation of the energetics of pyrimidine nucleoside formation in a model prebiotic reaction. J Am Chem Soc. 2009 Nov 11; 131(44):16088-95.
Score: 0.076
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Kosenkov D, Kholod YA, Gorb L, Shishkin OV, Kuramshina GM, Dovbeshko GI, Leszczynski J. Effect of a pH change on the conformational stability of the modified nucleotide queuosine monophosphate. J Phys Chem A. 2009 Aug 20; 113(33):9386-95.
Score: 0.075
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Puzyn T, Mostrag A, Falandysz J, Kholod Y, Leszczynski J. Predicting water solubility of congeners: chloronaphthalenes--a case study. J Hazard Mater. 2009 Oct 30; 170(2-3):1014-22.
Score: 0.074
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Kusic H, Rasulev B, Leszczynska D, Leszczynski J, Koprivanac N. Prediction of rate constants for radical degradation of aromatic pollutants in water matrix: a QSAR study. Chemosphere. 2009 May; 75(8):1128-34.
Score: 0.072
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Wang J, Gu J, Leszczynski J. Theoretical modeling study for the phosphonylation mechanisms of the catalytic triad of acetylcholinesterase by sarin. J Phys Chem B. 2008 Mar 20; 112(11):3485-94.
Score: 0.068
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Pavelka M, Shukla MK, Leszczynski J, Burda JV. Theoretical study of hydrated copper(II) interactions with guanine: a computational density functional theory study. J Phys Chem A. 2008 Jan 17; 112(2):256-67.
Score: 0.067
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Doskocz M, Roszak S, Majumdar D, Doskocz J, Gancarz R, Leszczynski J. Theoretical studies on the mechanism of C-P bond cleavage of a model alpha-aminophosphonate in acidic condition. J Phys Chem A. 2008 Mar 13; 112(10):2077-81.
Score: 0.066
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Sponer JE, R?blova K, Mokdad A, Sychrovsk? V, Leszczynski J, Sponer J. Leading RNA tertiary interactions: structures, energies, and water insertion of A-minor and P-interactions. A quantum chemical view. J Phys Chem B. 2007 Aug 02; 111(30):9153-64.
Score: 0.065
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Qasim M, Kholod Y, Gorb L, Magers D, Honea P, Leszczynski J. Application of quantum-chemical approximations to environmental problems: Prediction of physical and chemical properties of TNT and related species. Chemosphere. 2007 Oct; 69(7):1144-50.
Score: 0.064
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Dyguda-Kazimierowicz E, Sokalski WA, Leszczynski J. Non-empirical study of the phosphorylation reaction catalyzed by 4-methyl-5-beta-hydroxyethylthiazole kinase: relevance of the theory of intermolecular interactions. J Mol Model. 2007 Jul; 13(6-7):839-49.
Score: 0.063
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Close DM, Crespo-Hernandez CE, Gorb L, Leszczynski J. Influence of microhydration on the ionization energy thresholds of thymine: comparisons of theoretical calculations with experimental values. J Phys Chem A. 2006 Jun 15; 110(23):7485-90.
Score: 0.060
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Podolyan Y, Gorb L, Leszczynski J. Rare tautomer hypothesis supported by theoretical studies: ab initio investigations of prototropic tautomerism in the N-methyl-p base. J Phys Chem A. 2005 Nov 17; 109(45):10445-50.
Score: 0.058
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Burda JV, Zeizinger M, Leszczynski J. Hydration process as an activation of trans- and cisplatin complexes in anticancer treatment. DFT and ab initio computational study of thermodynamic and kinetic parameters. J Comput Chem. 2005 Jul 15; 26(9):907-14.
Score: 0.056
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Burda JV, Zeizinger M, Leszczynski J. Activation barriers and rate constants for hydration of platinum and palladium square-planar complexes: an ab initio study. J Chem Phys. 2004 Jan 15; 120(3):1253-62.
Score: 0.051
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Sponer J, Sponer JE, Leszczynski J. Cation-pi and amino-acceptor interactions between hydrated metal cations and DNA bases. A quantum-chemical view. J Biomol Struct Dyn. 2000 Jun; 17(6):1087-96.
Score: 0.040
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Petrosyan LS, Sizochenko N, Leszczynski J, Rasulev B. Modeling of Glass Transition Temperatures for Polymeric Coating Materials: Application of QSPR Mixture-based Approach. Mol Inform. 2019 08; 38(8-9):e1800150.
Score: 0.037
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Venkateswarlu D, Leszczynski J. Tautomeric equilibria in 8-oxopurines: implications for mutagenicity. J Comput Aided Mol Des. 1998 Jul; 12(4):373-82.
Score: 0.035
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Cleaves HJ, Michalkova Scott A, Hill FC, Leszczynski J, Sahai N, Hazen R. Mineral-organic interfacial processes: potential roles in the origins of life. Chem Soc Rev. 2012 Aug 21; 41(16):5502-25.
Score: 0.023