title: Model and mechanism: N-hydroxylation of primary aromatic amines by cytochrome P450.
abstract: Only one path applies: to date, five different mechanisms have been suggested for the P450-catalyzed N-hydroxylation of primary aromatic amines. Computational analysis employing density functional theory demonstrates that only the H-atom-transfer pathway, that is H abstraction from an amine N followed by a radical rebound step, on a low-spin route can contribute to the aromatic hydroxylamine formation.
authors.affiliation: UFZ Department of Ecological Chemistry, Helmholtz Centre for Environmental Research, Leipzig, Germany.
authors.forename: Li
authors.initials: L
authors.lastname: Ji
authors.forename: Gerrit
authors.initials: G
authors.lastname: Schüürmann
mesh_terms: D000588:Amines / Q000737:chemistry* / Q000378:metabolism; D002384:Catalysis; D003577:Cytochrome P-450 Enzyme System / Q000737:chemistry* / Q000378:metabolism; D006900:Hydroxylation; D013816:Thermodynamics
chemical_list: D000588:Amines; D003577:Cytochrome P-450 Enzyme System