Eur. Phys. J. D (2012) 66: 175
https://doi.org/10.1140/epjd/e2012-30022-8

Regular Article

Theoretical study of charge transfer dynamics in collisions of C⁶⁺ carbon ions with pyrimidine nucleobases

Laboratoire de Spectrométrie Ionique et Moléculaire, Université de Lyon (Lyon I), CNRS-UMR5579, 43 Bd. du 11 novembre 1918, 69622 Villeurbanne Cedex, France

^a e-mail: Marie-Christine.Bacchus@univ-lyon1.fr

Received: 10 January 2012
Received in final form: 30 March 2012
Published online: 10 July 2012

Abstract

A theoretical approach of the charge transfer dynamics induced by collision of C⁶⁺ ions with biological targets has been performed in a wide collision energy range by means of ab-initio quantum chemistry molecular methods. The process has been investigated for the target series thymine, uracil and 5-halouracil corresponding to similar molecules with different substituent on carbon C5. Such a study may be related to hadrontherapy treatments by C⁶⁺carbon ions and may provide, in particular, information on the radio-sensitivity of the different bases with regard to ion-induced radiation damage. The results have been compared to a previous analysis concerning the collision of C⁴⁺ carbon ions with the same biomolecular targets and significant charge effects have been pointed out.