On the Mechanism of the Mutagenic Action of 5-Bromouracil: A DFT Study of Uracil and 5-Bromouracil in a Water Cluster-Reference-Cited by-同舟云学术

On the Mechanism of the Mutagenic Action of 5-Bromouracil: A DFT Study of Uracil and 5-Bromouracil in a Water Cluster

Published:2009-02-13 Issue:11 Volume:113 Page:2233-2235
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Danilov Victor I.¹,van Mourik Tanja¹,Kurita Noriyuki¹,Wakabayashi Hajime¹,Tsukamoto Takayuki¹,Hovorun Dmytro M.¹

Affiliation:

1. Department of Molecular and Quantum Biophysics, Institute of Molecular Biology and Genetics, National Academy of Sciences of Ukraine, 150 Zabolotny Street, Kyiv-143, 03143, Ukraine, School of Chemistry, University of St Andrews, North Haugh, St. Andrews, Fife, KY16 9ST, Scotland, U.K., and Department of Knowledge-based Information Engineering, Toyohashi University of Technology, Tempaku-cho, Toyohashi 441-8580, Japan

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp811007j

Reference23 articles.

1. Tautomerism of 1-Methyl Derivatives of Uracil, Thymine, and 5-Bromouracil. Is Tautomerism the Basis for the Mutagenicity of 5-Bromouridine?

2. Mutagenic Properties of 5-Halogenuracils: Correlated Quantum Chemical ab Initio Study

3. 299. Tautomeric azines. Part I. The tautomerism of 1-methyluracil and 5-bromo-1-methyluracil

4. Modeling of the ‘hydration shell’ of uracil and thymine in small water clusters by DFT and MP2 methods

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