An experimental and theoretical study of interactions between unlike surface anions and increases in the rate of electrochemical reactions
Article Abstract:
The experimental and theoretical study on the increases in the rate of electrochemical reactions, which are achieved by replacing a small fraction of the original anions in solution with more inhibiting ones are presented. The analysis has showed that if repulsive forces of appropriate strength form between unlike surface anions, then replacing a fraction of the original anions in solution with one or two kinds of more inhibiting anions can increase the rate of reaction.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Theoretical studies on the hydrolysis mechanism of N-(2-oxo-1,2-dihydro-pyrimidinyl) formamide
Article Abstract:
Density functional theory and ab initio methods are used to study the mechanisms for the hydrolysis of N-(2-oxo-1,2-dihydro-pyrimidinyl) formamide (PFA) in the gas phase. The results have shown that the solvent water slightly reduces the energy barrier in each pathway, but the first pathway in the water-assisted hydrolysis has remained the most favorable when the solvent effects of bulk water are taken into account.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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Influence of N7 protonation on the mechanism of the N-glycosidic bond hydrolysis in 2'-deoxyguanosine. A theoretical study
Article Abstract:
Density functional theory (DFT) methods are used to study the influence of N7 protonation on the mechanism of the N-glycosidic bond hydrolysis in 2'-deoxyguanosine. The results have shown that protonation of guanine strongly catalyzes the hydrolysis of the N-glycosidic bond by making the nucleobase a better leaving group.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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