title: Theoretical predictions for ionization cross sections of DNA nucleobases impacted by light ions.
abstract: Induction of DNA double strand breaks after irradiation is considered of prime importance for producing radio-induced cellular death or injury. However, up to now ion-induced collisions on DNA bases remain essentially experimentally approached and a theoretical model for cross section calculation is still lacking. Under these conditions, we here propose a quantum mechanical description of the ionization process induced by light bare ions on DNA bases. Theoretical predictions in terms of differential and total cross sections for proton, α-particle and bare ion carbon beams impacting on adenine, cytosine, thymine and guanine bases are then reported in the 10 keV amu(-1)-10 MeV amu(-1) energy range. The calculations are performed within the first-order Born approximation (FBA) with biological targets described at the restricted Hartree-Fock level with geometry optimization. Comparisons to recent theoretical data for collisions between protons and cytosine point out huge discrepancies in terms of differential as well as total cross sections whereas very good agreement is shown with our previous classical predictions, especially at high impact energies (E(i) ≥ 100 keV amu(-1)). Finally, in comparison to the rare existing experimental data a systematic underestimation is observed in particular for adenine and thymine whereas a good agreement is reported for cytosine. Thus, further improvements appear as necessary, in particular by using higher order theories like the continuum-distorted-wave one in order to obtain a better understanding of the underlying physics involved in such ion-DNA reactions.
authors.affiliation: Laboratoire de Physique Moléculaire et des Collisions, ICPMB (FR CNRS 2843), Institut de Physique, Université Paul Verlaine-Metz, 1 bd Arago, 57078 Metz Cedex 3, France. champion@univ-metz.fr
authors.forename: C
authors.initials: C
authors.lastname: Champion
authors.forename: H
authors.initials: H
authors.lastname: Lekadir
authors.forename: M E
authors.initials: ME
authors.lastname: Galassi
authors.forename: O
authors.initials: O
authors.lastname: Fojón
authors.forename: R D
authors.initials: RD
authors.lastname: Rivarola
authors.forename: J
authors.initials: J
authors.lastname: Hanssen
mesh_terms: D000512:Alpha Particles; D002244:Carbon / Q000494:pharmacology; D004247:DNA / Q000737:chemistry* / Q000235:genetics; D004249:DNA Damage; D007477:Ions; D011522:Protons; D011789:Quantum Theory
chemical_list: D007477:Ions; D011522:Protons; D002244:Carbon; D004247:DNA