fulltext.study @t Gmail

A theoretical exploration of the photoinduced reductive repair mechanisms of thymidine glycol

Paper ID Volume ID Publish Year Pages File Format Full-Text
26141 43936 2014 8 PDF Available
Title
A theoretical exploration of the photoinduced reductive repair mechanisms of thymidine glycol
Abstract

•The reductive repair mechanisms of dTg via electron transfer were explored at the theoretical level.•dT is the most feasible reductive product of dTg.•dT is also the feasible degradation product of 5-HOdT.•This work helps shed light on the interaction between low-energy electron and DNA base.

The potential energy surface for the reductive repair of thymidine glycol (dTg) via electron transfer in aqueous solution has been mapped out in the present study employing a hybrid function of BH&HLYP in conjunction with the 6-311+G(d,p) basis set. Two types of repair mechanisms have been explored, including the reductive modification of the base portion and the excision of the base. The results indicate that thymidine (dT) is the most energetically feasible reductive product of dTg and also is the feasible degradation product of 5-hydroxy-5,6-dihydrothymidin-6-yl radical. The latter, however, has not been characterized in the previous experimental investigation. The insights explored in this paper help shed light on the interaction between low-energy electron and DNA base.

Graphical abstractFigure optionsDownload full-size imageDownload as PowerPoint slide

Keywords
Thymidine glycol; DNA repair; Electron transfer; IEF-PCM
First Page Preview
A theoretical exploration of the photoinduced reductive repair mechanisms of thymidine glycol
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us
Publisher
Database: Elsevier - ScienceDirect
Journal: Journal of Photochemistry and Photobiology A: Chemistry - Volume 294, 15 November 2014, Pages 88–95
Authors
, , , , ,
Subjects
Physical Sciences and Engineering Chemical Engineering Bioengineering
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us