• Title of article

    Radiation damage on biomolecular systems: Dynamics of ion induced collision processes

  • Author/Authors

    Bacchus-Montabonel، نويسنده , , Marie-Christine and Tergiman، نويسنده , , Yvette Suzanne and Sienkiewicz، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2012
  • Pages
    8
  • From page
    177
  • To page
    184
  • Abstract
    The collision of carbon ions on DNA and RNA bases thymine, uracil and 5-halouracil is investigated with regard to the action of radiations on the biological medium. The charge transfer process is studied theoretically in a wide collision range by means of ab initio quantum chemistry molecular methods. A strong influence of the electronic structure and charge of the Cq+ projectile may be observed correlated to previous experimental studies on the ionization and fragmentation processes. The charge transfer appears markedly anisotropic in the whole energy domain, and interesting specific features may be pointed out at low energies. For 5-halouracil targets, both electronic and steric effects drive a lowering of the cross sections, inducing an enhancement of the complementary fragmentation process in good agreement with the radio sensitivity widely recognized for such biomolecules.
  • Keywords
    Ab initio calculations , Radiation damage , uracil , Collision of carbon ions with thymine , Halouracil , Semi-classical collision dynamics
  • Journal title
    Computational and Theoretical Chemistry
  • Serial Year
    2012
  • Journal title
    Computational and Theoretical Chemistry
  • Record number

    2285660