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

Abstract

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.

Authors:
;  [1];  [2]
  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)
Publication Date:
OSTI Identifier:
21254911
Resource Type:
Journal Article
Journal Name:
AIP Conference Proceedings
Additional Journal Information:
Journal Volume: 1080; Journal 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); Journal ID: ISSN 0094-243X
Country of Publication:
United States
Language:
English
Subject:
60 APPLIED LIFE SCIENCES; AMINO ACIDS; BIOPHYSICS; DNA; EV RANGE 10-100; EXCITATION; PROTEINS; RADIOTHERAPY

Citation Formats

Sabin, John R, Oddershede, Jens, Institute for Physics and Chemistry, University of Southern Denmark, Campusvej 55, DK-5230 Odense M, and Sauer, Stephan P. A. Amino Acid Mean Excitation Energies and Directional Dependencies from Core and Bond Calculations. United States: N. p., 2008. Web. doi:10.1063/1.3058973.
Sabin, John R, Oddershede, Jens, Institute for Physics and Chemistry, University of Southern Denmark, Campusvej 55, DK-5230 Odense M, & Sauer, Stephan P. A. Amino Acid Mean Excitation Energies and Directional Dependencies from Core and Bond Calculations. United States. https://doi.org/10.1063/1.3058973
Sabin, John R, Oddershede, Jens, Institute for Physics and Chemistry, University of Southern Denmark, Campusvej 55, DK-5230 Odense M, and Sauer, Stephan P. A. 2008. "Amino Acid Mean Excitation Energies and Directional Dependencies from Core and Bond Calculations". United States. https://doi.org/10.1063/1.3058973.
@article{osti_21254911,
title = {Amino Acid Mean Excitation Energies and Directional Dependencies from Core and Bond Calculations},
author = {Sabin, John R and Oddershede, Jens and Institute for Physics and Chemistry, University of Southern Denmark, Campusvej 55, DK-5230 Odense M and Sauer, Stephan P. A.},
abstractNote = {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.},
doi = {10.1063/1.3058973},
url = {https://www.osti.gov/biblio/21254911}, journal = {AIP Conference Proceedings},
issn = {0094-243X},
number = 1,
volume = 1080,
place = {United States},
year = {Mon Dec 08 00:00:00 EST 2008},
month = {Mon Dec 08 00:00:00 EST 2008}
}