title: Gas-phase infrared spectrum and acidity of the radical cation of 9-methylguanine.
abstract: Oxidative damage to DNA yields guanine radical cations. Their gas-phase IR spectroscopic signature and acidity have been modelled by the radical cation of 9-methylguanine. Comparisons with quantum chemistry calculations suggest that radical cation formation produces the ground-state keto tautomer, which has an N-H acidity enhanced by ~470 kJ mol(-1).
authors.affiliation: School of Chemistry, Bio21 Institute of Molecular Science and Biotechnology, The University of Melbourne, Victoria 3010, Australia.
authors.forename: Linda
authors.initials: L
authors.lastname: Feketeová
authors.forename: George N
authors.initials: GN
authors.lastname: Khairallah
authors.forename: Bun
authors.initials: B
authors.lastname: Chan
authors.forename: Vincent
authors.initials: V
authors.lastname: Steinmetz
authors.forename: Philippe
authors.initials: P
authors.lastname: Maître
authors.forename: Leo
authors.initials: L
authors.lastname: Radom
authors.forename: Richard A J
authors.initials: RA
authors.lastname: O'Hair
mesh_terms: D000143:Acids; D002412:Cations; D005609:Free Radicals; D005740:Gases / Q000737:chemistry; D006147:Guanine / Q000031:analogs & derivatives* / Q000737:chemistry; D007259:Infrared Rays; D008958:Models, Molecular; D044367:Phase Transition; D011789:Quantum Theory
chemical_list: D000143:Acids; D002412:Cations; D005609:Free Radicals; D005740:Gases; C116701:9-methylguanine; D006147:Guanine