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Interaction of low-energy electrons with the purine bases, nucleosides, and nucleotides of DNA

Winstead, Carl and McKoy, Vincent (2006) Interaction of low-energy electrons with the purine bases, nucleosides, and nucleotides of DNA. Journal of Chemical Physics, 125 (24). Art. No. 244302. ISSN 0021-9606. http://resolver.caltech.edu/CaltechAUTHORS:WINjcp06c

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Abstract

The authors report results from computational studies of the interaction of low-energy electrons with the purine bases of DNA, adenine and guanine, as well as with the associated nucleosides, deoxyadenosine and deoxyguanosine, and the nucleotide deoxyadenosine monophosphate. Their calculations focus on the characterization of the pi* shape resonances associated with the bases and also provide general information on the scattering of slow electrons by these targets. Results are obtained for adenine and guanine both with and without inclusion of polarization effects, and the resonance energy shifts observed due to polarization are used to predict pi* resonance energies in associated nucleosides and nucleotides, for which static-exchange calculations were carried out. They observe slight shifts between the resonance energies in the isolated bases and those in the nucleosides.


Item Type:Article
Additional Information:©2006 American Institute of Physics (Received 30 October 2006; accepted 27 November 2006; published online 28 December 2006) The authors gratefully acknowledge support of this work by the U.S. Department of Energy, Office of Basic Energy Sciences, and use of the computational resources of the Caltech-Jet Propulsion Laboratory Supercomputing Project.
Subject Keywords:DNA; molecular biophysics; polarisation
Record Number:CaltechAUTHORS:WINjcp06c
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:WINjcp06c
Alternative URL:http://dx.doi.org/10.1063/1.2424456
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:6861
Collection:CaltechAUTHORS
Deposited By: Archive Administrator
Deposited On:29 Dec 2006
Last Modified:26 Dec 2012 09:26

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