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Low-energy electron collisions with biomolecules

Winstead, Carl and McKoy, Vincent (2012) Low-energy electron collisions with biomolecules. Journal of Physics Conference Series, 388 . Art. No. 012017 . ISSN 1742-6588 .

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We report recent progress in applying the Schwinger multichannel computational method to the interactions of slow electrons with biomolecules. Calculations on constituents of DNA, including nucleobases, phosphate esters, and models of the backbone sugar, have provided insight into the nature of the low-energy shape resonances, and thereby into possible sites and mechanisms for electron attachment that may lead to strand-breaking. At the same time, more approximate calculations on larger assemblies such as nucleosides and deoxyadenosine monophosphate indicate how the resonance properties of the subunits will or will not persist in DNA itself. We are pursuing a similar strategy for another major class of biomolecules, the proteins, by beginning with fixed-nuclei studies of the constituent amino acids; here we present preliminary results for the simplest amino acid, glycine. We also describe efforts directed at an improved understanding electron collisions with alcohols, which, in addition to basic scientific interest, may prove useful in the modeling of ignition and combustion within biofuel-powered engines.

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Additional Information:© 2012 Published under licence by IOP Publishing Ltd. This work was supported by the Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, US Department of Energy under Grant No. DE-FG02-97ER14814, and in part by the US National Science Foundation under Grants No. 0653396 and 0968873. Calculations employed the Supercomputing and Visualization Facility at the Jet Propulsion Laboratory. We warmly acknowledge the contributions of theoretical and experimental collaborators to various aspects of the work reported here. In particular, work on the alcohols has been carried out within a Brazil–US joint project including Profs M H F Bettega, M A Khakoo, M A P Lima, M C A Lopes, and M T do N Varella, along with their respective research groups, while portions of the DNA-related work were carried out jointly with Profs M J Brunger, S J Buckman, and S d’A Sanchez, and their associates.
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Department of Energy (DOE) Office of Basic Energy Sciences DE-FG02-97ER14814
Classification Code:PACS: 87.14.G-; 87.15.-v; 34.80.Bm
Record Number:CaltechAUTHORS:20130321-141710558
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Official Citation:Low-energy electron collisions with biomolecules Carl Winstead and Vincent McKoy 2012 J. Phys.: Conf. Ser. 388 012017
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:37591
Deposited By: Tony Diaz
Deposited On:25 Mar 2013 23:15
Last Modified:25 Mar 2013 23:15

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