title: Ab initio studies of the properties of intracellular thiols ergothioneine and ovothiol.
abstract: Intracellular naturally occurring aromatic thiols such as ergothioneine and the ovothiols have been shown to play a variety of roles in cellular function. A detailed ab initio electronic structure analysis of these thiols is reported evaluating the thermodynamics of the reactions of these intracellular thiols with alkyl thiols, HO*, H2O2, ascorbate and their disulfides.
authors.affiliation: Chemistry Department, University of Waterloo, Waterloo, Ontario, Canada.
authors.forename: Christine E
authors.initials: CE
authors.lastname: Hand
authors.forename: Nicholas J
authors.initials: NJ
authors.lastname: Taylor
authors.forename: John F
authors.initials: JF
authors.lastname: Honek
mesh_terms: D004880:Ergothioneine / Q000737:chemistry*; D008762:Methylhistidines / Q000737:chemistry*; D008968:Molecular Conformation; D013329:Structure-Activity Relationship; D013438:Sulfhydryl Compounds / Q000737:chemistry*; D013816:Thermodynamics
chemical_list: D008762:Methylhistidines; D013438:Sulfhydryl Compounds; C050085:ovothiol C; D004880:Ergothioneine