Recently, the influence of radiation on human body has been recognized as a serious problem. In particular, highly-reactive radicals produced by the radiation react with DNA, resulting in damage on its structure and electronic properties. It is thus important to investigate the reaction mechanism of radicals to DNA for elucidating the initial damage in DNA induced by the radiation. In the present study, we search for the transition states of the attacking mechanism between base-pair (G-C or A-T) and radical (OH and H radicals) in vacuum and in water, using the density functional theory calculations. The results elucidate that OH radical can cause mutation in A-T base pair, while H radical affects significantly on G-C base pair.
2P122アルコールによって誘起される DNA の凝縮・脱凝縮二段階 転移 Condensed DNA is unfolded into elongated conformation at ethanol concentration around 80%
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.