Search
Abstract
Degradation mechanism of four brominated nucleobases (BrX), potential DNA radiosensitizers, is studied in explicit water solution, using ab initio molecular dynamics. Several fs long dynamics is needed to localize an electron on the nucleobase. Produced by electron attachment BrX anion radical degrades through the bromide anion abstraction, barrier-free (purines) or with low barrier (pyrimidines), to a reactive nucleobase radical. Such differences in dissociative behavior of purines and pyrimidines suggest that brominated purine anions should dissociate more effectively than their pyrimidine counterparts.
Citations
-
3 2
CrossRef
-
0
Web of Science
-
2 7
Scopus
Authors (5)
-
Lidia Chomicz
- Uniwersytet Gdański .
-
Janusz Rak
- Uniwersytet Gdański .
Cite as
Full text
full text is not available in portal
Keywords
Details
- Category:
- Articles
- Type:
- artykuł w czasopiśmie wyróżnionym w JCR
- Published in:
-
CHEMICAL PHYSICS LETTERS
no. 595-596,
pages 133 - 137,
ISSN: 0009-2614 - Language:
- English
- Publication year:
- 2014
- Bibliographic description:
- Wieczór M., Wityk P., Czub J., Chomicz L., Rak J.: A first-principles study of electron attachment to the fully hydrated bromonucleobases// CHEMICAL PHYSICS LETTERS. -Vol. 595-596, (2014), s.133-137
- DOI:
- Digital Object Identifier (open in new tab) 10.1016/j.cplett.2014.01.052
- Verified by:
- Gdańsk University of Technology
seen 112 times
Recommended for you
Interaction of 4-nitrothiophenol with low energy electrons: Implications for plasmon mediated reactions
- R. Schürmann,
- T. F. M. Luxford,
- I. S. Vinklárek
- + 3 authors
2020
Intramolecular Proton Transfer in the Radical Anion of Cytidine Monophosphate Sheds Light on the Sensitivities of Dry vs Wet DNA to Electron Attachment-Induced Damage
- L. Chomicz-Mańka,
- A. Czaja,
- K. Falkiewicz
- + 11 authors
2023
Dissociative electron attachment and anion-induced dimerization in pyruvic acid
- M. Zawadzki,
- M. Ranković,
- K. Jaroslav
- + 1 authors
2018