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Resonant interactions of slow electrons with DNA constituents

Winstead, Carl and McKoy, Vincent (2008) Resonant interactions of slow electrons with DNA constituents. Radiation Physics and Chemistry, 77 (10-12). pp. 1258-1264. ISSN 0969-806X.

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We review recent theoretical work on low-energy electron collisions with the constituents of DNA and RNA, including the nucleobases (uracil, thymine, cytosine, adenine, and guanine), deoxyribose and its analogue tetrahydrofuran, and larger subunits including deoxynucleosides and deoxynucleotides. A particular focus is on the identification and characterization of low-energy resonances that may play a role in electron attachment leading to DNA strand breaking. Comparison with experiment indicates that high-level calculations can yield rather accurate resonance positions. However, the higher-lying π* resonances of the nucleobases appear to be of mixed elastic and core-excited character. This mixing must be accounted for in the calculation to obtain reliable resonance energies and may affect the electron-induced dissociation mechanisms. Resonant channel mixing is illustrated for the pyrimidine base analogue pyrazine.

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Additional Information:© 2008 Elsevier Ltd. Available online 24 May 2008. This research was supported by the Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, US Department of Energy. We are grateful for use of the facilities of the Jet Propulsion Laboratory’s Supercomputing Visualization Facility. PACS classification codes: 34.80.Bm; 34.80.Gs
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US Department of EnergyUNSPECIFIED
Subject Keywords:low-energy electrons; phase deoxyribose analogs; cross-sections; stimulated desorption; gas-phase; vibratoinal-excitation; elastic-scattering; condensed-phase; strand breaks; molecule collisions
Issue or Number:10-12
Record Number:CaltechAUTHORS:WINrpc08
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:13350
Deposited By: Tony Diaz
Deposited On:22 Apr 2009 22:48
Last Modified:03 Oct 2019 00:36

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