Issue 13, 2013

Electric-field induced mutation of DNA: a theoretical investigation of the GC base pair

Abstract

It is known that intense external electric fields affect the proton transfer (PT) reactions in simple chemical systems, such as hydrated chlorhydric acid or formic acid dimer. Accordingly, electric fields might be used to modulate the PT reactions responsible for the spontaneous mutation mechanism in DNA. In this contribution, we investigate the effect of these fields on the tautomeric equilibria of the guanine–cytosine (GC) base pair in order to gain further insight into this hypothesis. This task is performed with both density functional theory (DFT) and second-order Møller–Plesset (MP2) approaches. Our results demonstrate that electric fields not only drastically alter the rate constants of PT but also tune the mechanism of the PT reactions in the GC base pair.

Graphical abstract: Electric-field induced mutation of DNA: a theoretical investigation of the GC base pair

Supplementary files

Article information

Article type
Paper
Submitted
15 নভে. 2012
Accepted
14 ডিসে. 2012
First published
14 ডিসে. 2012

Phys. Chem. Chem. Phys., 2013,15, 4548-4553

Electric-field induced mutation of DNA: a theoretical investigation of the GC base pair

J. P. Cerón-Carrasco and D. Jacquemin, Phys. Chem. Chem. Phys., 2013, 15, 4548 DOI: 10.1039/C2CP44066K

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements