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Intramolecular proton transfer in the tautomers of C8 oxidative adenine: a DFT study

Intramolecular proton transfer in the tautomers of C8 oxidative adenine: a DFT study

Authors :
Jiande Gu
Anmin Tian
Wai-Kee Li
Ning-Bew Wong
Source :
Journal of Physical Chemistry B. Nov 16, 2000, Vol. 104 Issue 45, p10692, 7 p.
Publication Year :
2000

Abstract

A density functional theory (DFT) study are performed in order to explore the influences of oxygen at the C8 position on the intramolecular proton transfer between the 6-oxo form and 6-hydro form of C8 -oxidative adenine. The 8-oxo form with the oxygen at the C8 position is found to be energetically favored by the purines.

Details

Language :
English
ISSN :
15206106
Volume :
104
Issue :
45
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry B
Publication Type :
Academic Journal
Accession number :
edsgcl.123701934