Effect of protonation on the electronic properties of DNA base pairs: applications for molecular electronics

Mallajosyula, Sairam S. ; Pati, Swapan K. (2007) Effect of protonation on the electronic properties of DNA base pairs: applications for molecular electronics The Journal of Physical Chemistry B, 111 (4). pp. 11614-11618. ISSN 1089-5647

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Official URL: http://pubs.acs.org/doi/abs/10.1021/jp076063m

Related URL: http://dx.doi.org/10.1021/jp076063m

Abstract

Protonation of DNA basepairs is a reversible phenomenon that can be controlled by tuning the pH of the system. Under mild acidic conditions, the hydrogen-bonding pattern of the DNA basepairs undergoes a change. We study the effect of protonation on the electronic properties of the DNA basepairs to probe for possible molecular electronics applications. We find that, under mild acidic pH conditions, the A:T basepair shows excellent rectification behavior that is, however, absent in the G:C basepair. The mechanism of rectification has been discussed using a simple chemical potential model. We also consider the noncanonical A:A basepair and find that it can be used as efficient pH dependent molecular switch. The switching action in the A:A basepair is explained in the light of π-π interactions, which lead to efficient delocalization over the entire basepair.

Item Type:Article
Source:Copyright of this article belongs to American Chemical Society.
ID Code:60819
Deposited On:12 Sep 2011 07:17
Last Modified:11 May 2012 11:35

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