title: Theoretical ionization and capture cross sections for DNA nucleobases impacted by light ions.
abstract: OBJECTIVE
  Although DNA lesions are considered of prime importance for describing the post-irradiation cellular survival, they still remain rarely studied on both experimental and theoretical sides. Under these conditions, we here propose different theoretical models for predicting the single ionization and single capture total cross sections for DNA bases impacted by protons.
  
  
  METHODS
  Three theoretical approaches are developed: a first classical one based on a classical trajectory Monte Carlo (CTMC) model and two quantum mechanical ones, namely, a Coulomb Born (CB1) and a continuum-distorted wave eikonal-initial-state (CDW-EIS) model.
  
  
  RESULTS
  Ionization and capture processes induced by protons on DNA bases (adenine, cytosine, thymine and guanine) are here studied in terms of total cross sections.
  
  
  CONCLUSIONS
  A very good agreement is obtained between the different models at high enough impact velocities but discrepancies are observed between them at low impact energies (E(i) ≤ 100 keV). Furthermore, it is shown that the theoretical cross sections underestimate the rare existing experimental data in particular for adenine and thymine whereas a reasonable agreement is found for cytosine.
authors: Laboratoire de Physique Moléculaire et des Collisions, Université Paul Verlaine-Metz, Technopôle 2000, Metz, France. champion@univ-metz.fr
authors: Christophe
authors: C
authors: Champion
authors: Mariel E
authors: ME
authors: Galassi
authors: Hacène
authors: H
authors: Lekadir
authors: Sébastien
authors: S
authors: Incerti
authors: Omar A
authors: OA
authors: Fojón
authors: Roberto D
authors: RD
authors: Rivarola
authors: Jocelyn
authors: J
authors: Hanssen
mesh_terms: D004247:DNA / Q000737:chemistry* / Q000235:genetics*; D004249:DNA Damage; D004583:Electrons / Q000009:adverse effects; D009010:Monte Carlo Method; D011522:Protons / Q000009:adverse effects*; D011789:Quantum Theory
chemical_list: D011522:Protons; D004247:DNA