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Your search keyword '"Cytosine -- Electric properties"' showing total 3 results
Start Over Descriptor "Cytosine -- Electric properties" Journal journal of physical chemistry b
3 results on '"Cytosine -- Electric properties"'

1. Theoretical study of the tautomerism in the one-electron oxidized guanine-cytosine base pair

Author

Ceron-Carrasco, J. P., Requena, A., Perpte, E. A., Michaux, C., and Jacquemin, D.

Subjects
Cytosine -- Chemical properties, Cytosine -- Electric properties, Guanine -- Chemical properties, Guanine -- Electric properties, Oxidation-reduction reaction -- Analysis, Tautomers -- Chemical properties, Tautomers -- Electric properties, Chemicals, plastics and rubber industries
Published
2010

2. Thermodynamics and kinetics of intramolecular water assisted proton transfer in [Na.sup.+]-1-methylcytosine water complexes

Author

Michalkova, A., Kosenkov, D., and Leszczynski, J.

Subjects
Protons -- Analysis, Methyl groups -- Chemical properties, Methyl groups -- Electric properties, Cytosine -- Chemical properties, Cytosine -- Electric properties, Chemicals, plastics and rubber industries
Abstract

High-level ab initio studies are used for studying the tautomerization equilibrium and rate constants of water-assisted proton transfer of 1-methyl-cytosine (MeC) to its MeC* imino tautomeric form in the presence of up to two water molecules (W) and the [Na.sup.+] cation. The interactions with [Na.sup.+] have led to a decrease of both the rate and the equilibrium constants of the tautomerization reactions in hydrated MeC.

Published
2008

3. Theoretical study on the structure, stability, and electronic properties of the guanine-Zn-cytosine base pair in M-DNA

Author

Fuentes-Cabrera, Miguel, Sumpter, Bobby G., Sponer, Judit E., Sponer, Jiri, Petit, Leon, and Wells, Jack C.

Subjects
Guanine -- Structure, Guanine -- Electric properties, Zinc compounds -- Structure, Zinc compounds -- Electric properties, Cytosine -- Structure, Cytosine -- Electric properties, Hydrogen-ion concentration -- Analysis, Chemicals, plastics and rubber industries
Abstract

A comprehensive ab initio study is used to observe and analyze the structure, stability and electronic properties of guanine-zinc-cytosine (G-Zn-C) base pair, which when combined with metals like Zn and Co lead to the formation of M-DNA at high values of pH. The analysis suggest that a lot of things should be taken care of while studying the electronic properties of such base-pairs, as M-DNAs with functionals do not account for strong electronic correlations.

Published
2007

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