TY - JOUR
T1 - Mean Excitation Energies and Energy Deposition Characteristics of Bio-Organic Molecules
AU - Bruun-Ghalbia, Shakeela
AU - Sauer, Stephan P. A.
AU - Oddershede, Jens
AU - Sabin, John R.
PY - 2010/1/14
Y1 - 2010/1/14
N2 - We suggest a method for determination of the mean excitation energies of several biomolecules, such as amino acids, using a Bragg-like sum rule developed for molecular fragments or functional groups. Because the fragment composition of many bio-organic molecules is very similar, we find that many of them, including the amino acids, have similar mean excitation energies (∼70 eV, which is interestingly close to the mean excitation energy of the major component of a cell: namely, water). Differences in amino acid mean excitation energies arise from variation of the side chains (-R); addition of - CH 2- groups decreases the mean excitation energy.
AB - We suggest a method for determination of the mean excitation energies of several biomolecules, such as amino acids, using a Bragg-like sum rule developed for molecular fragments or functional groups. Because the fragment composition of many bio-organic molecules is very similar, we find that many of them, including the amino acids, have similar mean excitation energies (∼70 eV, which is interestingly close to the mean excitation energy of the major component of a cell: namely, water). Differences in amino acid mean excitation energies arise from variation of the side chains (-R); addition of - CH 2- groups decreases the mean excitation energy.
U2 - 10.1021/jp908998s
DO - 10.1021/jp908998s
M3 - Journal article
C2 - 20000653
SN - 1520-6106
VL - 114
SP - 633
EP - 637
JO - Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical
JF - Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical
IS - 1
ER -