title: Radiation-induced formation of DNA intrastrand crosslinks between thymine and adenine bases: A theoretical approach.
abstract: The role of local geometric and stereo-electronic effects in tuning the radiation-induced formation of intrastrand crosslinks between adenine and thymine has been analyzed by a computational approach rooted in density functional theory. Our study points out that together with steric accessibility, stereo-electronic effects play a major role in determining the reaction mechanism and the observed predominance of the thymine-adenine lesion over the opposite sequence isomer.
authors.affiliation: Laboratoire Lésions des Acides Nucléiques, SCIB-UMR no. 3 (CEA/UJF) Département de Recherche Fondamentale sur la Matière Condensée, CEA/Grenoble, 17 Avenue des Martyrs, 38054, Grenoble cedex 9, France.
authors.forename: Bertrand
authors.initials: B
authors.lastname: Xerri
authors.forename: Christophe
authors.initials: C
authors.lastname: Morell
authors.forename: André
authors.initials: A
authors.lastname: Grand
authors.forename: Jean
authors.initials: J
authors.lastname: Cadet
authors.forename: Paola
authors.initials: P
authors.lastname: Cimino
authors.forename: Vincenzo
authors.initials: V
authors.lastname: Barone
mesh_terms: D000225:Adenine / Q000737:chemistry*; D004247:DNA / Q000737:chemistry* / Q000528:radiation effects*; D007700:Kinetics; D008956:Models, Chemical; D008958:Models, Molecular; D009690:Nucleic Acid Conformation / Q000528:radiation effects*; D013816:Thermodynamics; D013941:Thymine / Q000737:chemistry*
chemical_list: D004247:DNA; D000225:Adenine; D013941:Thymine