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Hydroxyl radical - thymine adduct induced DNA damages
Örebro University, Department of Natural Sciences. (Biophysical Chemistry)
2008 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 458, no 1-3, p. 186-189Article in journal (Refereed) Published
Abstract [en]

DNA damages caused by a 5-hydroxy-5,6-dihydrothymine-6-yl radical (5-OHT-6yl) abstracting a C20 hydrogen from a neighboring sugar (inter-H abstraction) have been theoretically investigated using hybrid DFT in gas phase and in water solution. The inter-H abstraction was here shown to be comparable in energy (24 kcal mol 1) with the intra-H abstraction in which the 5-OHT-6yl abstracts a C20 hydrogen from its own sugar. The effect of a neutrally or a negatively charged phosphate group was also studied and the results show no significant impact on the activation energy of the hydrogen abstraction whereas base release and strand break reactions are affected.

Place, publisher, year, edition, pages
Amsterdam: Elsevier , 2008. Vol. 458, no 1-3, p. 186-189
National Category
Natural Sciences Chemical Sciences Physical Chemistry
Research subject
Chemistry
Identifiers
URN: urn:nbn:se:oru:diva-4660DOI: 10.1016/j.cplett.2008.04.086OAI: oai:DiVA.org:oru-4660DiVA, id: diva2:138959
Available from: 2008-10-24 Created: 2008-10-24 Last updated: 2017-12-14Bibliographically approved

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Eriksson, Leif A.

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