Abstract

Monte Carlo simulation of energy absorption in oriented fibers of DNA is used to model the dependence of free radical yields on the orientation of the fibers relative to a flux of ionizing radiation. We assume a large asymmetry in the thermal conductivity of the fibers that permits rapid transport of vibrational energy along a DNA molecule, but not between different molecules. Based on this assumption, our model predicts that thymine radical anions have a significantly greater probability of undergoing a secondary protonation reaction if they are produced by a flux of high-energy protons that is incident parallel to the helical axis of DNA than if they are generated by a flux that is incident perpendicular to the DNA molecules. These results are in qualitative agreement with experimental data on the yield of 5,6-dihydrothymin-5-yl radicals when samples of oriented DNA were exposed at 77 K to neutrons.

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