Amino Acid Mean Excitation Energies and Directional Dependencies from Core and Bond Calculations

Journal Article · Mon Dec 08 00:00:00 EST 2008 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.3058973· OSTI ID:21254911

Sabin, John R; Oddershede, Jens ^[1]; Sauer, Stephan P. A. ^[2]

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1. Department of Physics, University of Florida, Gainesville, FL 32611 (United States)
2. Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen (Denmark)

We determine the mean excitation energies of several amino acids using a Bragg Rule developed for molecular fragments or functional groups. As the composition of the amino acids is very similar, we find that the amino acids have similar mean excitation energies (approximately 70 eV). Differences arise from variation of the side chains (-R); addition of-CH2-groups decreases the mean excitation energy. We also speculate concerning the directional dependence of the amino acid mean excitation energies.

• OSTI ID: 21254911
• Journal Information: AIP Conference Proceedings, Vol. 1080, Issue 1; Conference: RADAM 2008: 5. international conference on radiation damage in biomolecular systems, Debrecen (Hungary), 13-15 Jun 2008; Other Information: DOI: 10.1063/1.3058973; (c) 2008 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

60 APPLIED LIFE SCIENCES
AMINO ACIDS
BIOPHYSICS
DNA
EV RANGE 10-100
EXCITATION
PROTEINS
RADIOTHERAPY