title: Molecular basic data calculation for radiation transport in chromatin.
abstract: Differential and integral electron impact ionisation cross sections were calculated using the binary-encounter-Bethe theoretical model for each core particle molecules: the four DNA bases, the backbone (sugar phosphate), and the 19 amino acids constituent of histone proteins. The binding energies and populations of molecular orbitals were computed using General Atomic Molecular Electronic Structure System. At present, there are neither experimental nor other theoretical results on amino acid electron impact ionisation cross sections. Regarding DNA bases and backbone, our results show good agreement with those published in journals.
authors.affiliation: CPAT, Université Paul Sabatier, 118 route de Narbonne, 31062 Toulouse Cédex 9, France. peudon@cpat.ups-tlse.fr
authors.forename: Aude
authors.initials: A
authors.lastname: Peudon
authors.forename: Sandrine
authors.initials: S
authors.lastname: Edel
authors.forename: Michel
authors.initials: M
authors.lastname: Terrissol
mesh_terms: D002843:Chromatin / Q000737:chemistry* / Q000528:radiation effects*; D003198:Computer Simulation; D004249:DNA Damage; D004307:Dose-Response Relationship, Radiation; D018499:Linear Energy Transfer; D008956:Models, Chemical; D008958:Models, Molecular; D011829:Radiation Dosage; D011839:Radiation, Ionizing; D011874:Radiometry / Q000379:methods*; D012542:Scattering, Radiation
chemical_list: D002843:Chromatin