Conformation and orientation dependence in ion-induced collisions with DNA and RNA building blocks

EDP Sciences, Societ`a Italiana di Fisica, Springer-Verlag 2015Abstract. Action of radiations on biological tissues is of major concern in cancer therapy development.Understanding the mechanisms involved at the molecular level in such reactions may be of crucial interest.In particular ion-induced ionization processes appear at the early stage of damage and a detailed analysishas been performed on the charge transfer dynamics of carbon ions with the different DNA and RNAbuilding blocks in order to analyze their respective behavior in ion-induced collisions. We have consideredthe pyrimidine nucleobases uracil and thymine and the 5-halouracil molecules corresponding to the sameskeleton, as well as the sugar moiety 2-deoxy-D-ribose. The calculations have been performed by means ofab initio quantum chemistry molecular methods followed by a semi-classical collision treatment in a widecollision energy range. Considerations of the structure of the biological target as well as analysis of theanisotropy of the process have been performed. The comparison with proton collisions has been developedwith regard to previous results. Qualitative trends of interest for DNA building blocks damage may bepointed out.