title: Simultaneous determination of the tobacco smoke uptake parameters nicotine, cotinine and thiocyanate in urine, saliva and hair, using gas chromatography-mass spectrometry for characterisation of smoking status of recently exposed subjects.
abstract: A method using gas chromatography (GC)-mass spectrometry (MS) for the simultaneous determination of the smoke uptake parameters thiocyanate, nicotine and cotinine in human tissues is reported. Nicotine, cotinine and thiocyanate, in combination with a phase-transfer catalyst, were extracted from urine, saliva and hair into dichloromethane (DCM). Thiocyanate was alkylated in the DCM-layer to form a pentafluorobenzyl derivative. The biochemical markers in DCM were directly injected into the GC system and separated on a DB-1MS column using a 9.4 min temperature program. The method was validated in urine and saliva between the limits of quantitation (1.0-15 microg ml(-1) thiocyanate, 0.010-3.0 microg ml(-1) nicotine and cotinine in urine, 0.010-1.0 microg ml(-1) nicotine and cotinine in saliva). The calibration curves were found to be linear (r > 0.996), the within- and between-day accuracy's were 83-120%, the repeatability coefficients of variation were 3-20% and the limits of detection were 0.060 ng ml(-1) thiocyanate and 0.60 ng ml(-1) nicotine and cotinine. The results of the analysis of the biomarkers in the urine of 44 volunteers were used to develop a predictive model for smoking status, using discriminant analysis. The classification model correctly classified 93.2% of cross-validated grouped cases. Saliva samples were used to confirm the results of the classification method.
authors.affiliation: Department of Clinical Pharmacy, Room number EO-127, Academic Medical Center, University of Amsterdam, Meibergdreef 9, P.O. Box 226600, 1100 DD Amsterdam, The Netherlands. lab-apotheek@amc.uva.nl
authors.forename: Javier Sastre
authors.initials: JS
authors.lastname: Toraño
authors.forename: Hendrikus J M
authors.initials: HJ
authors.lastname: van Kan
mesh_terms: D015415:Biomarkers / Q000032:analysis*; D003367:Cotinine / Q000493:pharmacokinetics; D008401:Gas Chromatography-Mass Spectrometry / Q000379:methods; D006197:Hair / Q000378:metabolism; D006801:Humans; D009538:Nicotine / Q000493:pharmacokinetics; D012463:Saliva / Q000378:metabolism; D012907:Smoking / Q000378:metabolism*; D013861:Thiocyanates / Q000493:pharmacokinetics
chemical_list: D015415:Biomarkers; D013861:Thiocyanates; D009538:Nicotine; D003367:Cotinine