title: Structure identification of free radicals by ESR and GC/MS of PBN spin adducts from the in vitro and in vivo rat liver metabolism of halothane.
abstract: Free radicals were detected from the in vitro metabolism of halothane (rat liver microsomes) by the PBN spin trapping method. The detected radical species include the 1-chloro-2,2,2-trifluoro-1-ethyl radical (I), as determined by mass spectral analysis, and lipid-type radicals assigned by high resolution ESR spectroscopy with the use of d14-deuterated PBN. The lipid-derived radicals are a carbon-centred radical with the partially assigned structure CH2R and an oxygen-centred radical of the OR' type. From the mass spectral analysis of the spin adduct mixture there is also evidence for a halocarbon double adduct of PBN of the type I-PBN-I.
authors.affiliation: Department of Chemistry and Biochemistry, University of Guelph, Ontario, Canada.
authors.forename: E G
authors.initials: EG
authors.lastname: Janzen
authors.forename: R A
authors.initials: RA
authors.lastname: Towner
authors.forename: P H
authors.initials: PH
authors.lastname: Krygsman
authors.forename: D L
authors.initials: DL
authors.lastname: Haire
authors.forename: J L
authors.initials: JL
authors.lastname: Poyer
mesh_terms: D000818:Animals; D003497:Cyclic N-Oxides; D004578:Electron Spin Resonance Spectroscopy; D005609:Free Radicals; D008401:Gas Chromatography-Mass Spectrometry; D006221:Halothane / Q000378:metabolism*; D066298:In Vitro Techniques; D008297:Male; D008862:Microsomes, Liver / Q000378:metabolism*; D009589:Nitrogen Oxides; D051381:Rats; D011919:Rats, Inbred Strains; D013113:Spin Labels
chemical_list: D003497:Cyclic N-Oxides; D005609:Free Radicals; D009589:Nitrogen Oxides; D013113:Spin Labels; C029217:phenyl-N-tert-butylnitrone; D006221:Halothane