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Cited by 256

The DOI matches its Crossref record; 34 of the 34 references it cites were found in a registry or an index.

Electron-Induced Elimination of the Bromide Anion from Brominated Nucleobases. A Computational Study

Chomicz, Lidia, Rak, Janusz, Storoniak, Piotr·2012·The Journal of Physical Chemistry B
DOI 10.1021/jp3008738
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Abstract

The enhancement of radiodamage to DNA labeled with halonucleobases is attributed to the reactive radical produced from a halonucleobase by the attachment of an electron. We examined at the B3LYP/6-31++G** level electron capture by four brominated nucleobases (BrNBs): 8-bromo-9-methyladenine, 8-bromo-9-methylguanine, 5-bromo-1-methylcytosine, and 5-bromo-1-methyluracil followed by the release of the bromide anion and a nucleobase radical. We demonstrate that neutral BrNBs in both gas and aqueous phases are better electron acceptors than unsubstituted NBs and that resulting anion radicals, BrNBs(•-), can easily transform into the product complex of the bromide anion and the nucleobase radical ([Br(-)···NB(•)]). The overall thermodynamic stimulus for the process starting with the neutral BrNB and ending with the isolated bromide anion and the NB(•) radical is similar in the case of all four BrNBs studied, which suggests their comparable radiosensitizing capabilities.

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Metadata

Authors
Chomicz, L., Rak, J., & Storoniak, P.
Venue
The Journal of Physical Chemistry B
Publisher
American Chemical Society (ACS)
Published
2012-05-03
Volume
116
Issue
19
Pages
5612-5619
ISSN
  • 1520-5207 (ISSN-L)
  • 1520-6106
DOI
10.1021/jp3008738
OpenAlex
W2327853294
Cited by
256
References
34
FWCI
3.49
Type
journal article
Language
en
Open access
closed

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