Radiation-induced formation of DNA intrastrand crosslinks between thymine and adenine bases: A theoretical approach.
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.
Xerri
Bertrand
B
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.
Morell
Christophe
C
Grand
André
A
Cadet
Jean
J
Cimino
Paola
P
Barone
Vincenzo
V
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*
D004247:DNA; D000225:Adenine; D013941:Thymine