title: Quantitative analysis of poly- and perfluoroalkyl compounds in water matrices using high resolution mass spectrometry: optimization for a laser diode thermal desorption method.
abstract: An alternative analysis technique for the quantitation of 15 poly- and perfluoroalkyl substances (PFASs) in water matrices is reported. Analysis time between each sample was reduced to less than 20s, all target molecules being analyzed in a single run with the use of laser diode thermal desorption atmospheric pressure chemical ionization (LDTD/APCI) coupled with high resolution accurate mass (HRMS) orbitrap mass spectrometry. LDTD optimal settings were investigated using either one-factor-at-a-time or experimental design methodologies, while orbitrap parameters were optimized simultaneously by means of a Box-Behnken design. Following selection of an adequate sample concentration and purification procedure based on solid-phase extraction and graphite clean-up, the method was validated in an influent wastewater matrix. Environmentally significant limits of detection were reported (0.3-4ngL(-1) in wastewater and 0.03-0.2ngL(-1) in surface water) and out of the 15 target analytes, 11 showed excellent accuracies (±20% of the target values) and recovery rates (75-125%). The method was successfully applied to a selection of environmental samples, including wastewater samples in 7 locations across Canada, as well as surface and tap water samples from the Montreal region, providing insights into the degree of PFAS contamination in this area.
authors.affiliation: Université de Bordeaux, EPOC, UMR 5805, LPTC, 351 Cours de la Libération, F-33400 Talence, France; Department of Chemistry, Université de Montréal, C.P. 6128, Succursale Centre-Ville, Montréal, QC H3C 3J7, Canada.
authors.forename: Gabriel
authors.initials: G
authors.lastname: Munoz
authors.affiliation: Department of Chemistry, Université de Montréal, C.P. 6128, Succursale Centre-Ville, Montréal, QC H3C 3J7, Canada.
authors.forename: Sung
authors.initials: S
authors.lastname: Vo Duy
authors.affiliation: CNRS, EPOC, UMR 5805, LPTC, 351 Cours de la Libération, F-33400 Talence, France.
authors.forename: Hélène
authors.initials: H
authors.lastname: Budzinski
authors.affiliation: CNRS, EPOC, UMR 5805, LPTC, 351 Cours de la Libération, F-33400 Talence, France.
authors.forename: Pierre
authors.initials: P
authors.lastname: Labadie
authors.affiliation: McGill University, Department of Civil Engineering, 817 Sherbrooke Street West, Montreal, QC H3A 0C3, Canada.
authors.forename: Jinxia
authors.initials: J
authors.lastname: Liu
authors.affiliation: Department of Chemistry, Université de Montréal, C.P. 6128, Succursale Centre-Ville, Montréal, QC H3C 3J7, Canada. Electronic address: sebastien.sauve@umontreal.ca.
authors.forename: Sébastien
authors.initials: S
authors.lastname: Sauvé
mesh_terms: D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D005466:Fluorocarbons / Q000032:analysis* / Q000737:chemistry; D005618:Fresh Water / Q000032:analysis / Q000737:chemistry; D057166:High-Throughput Screening Assays; D007834:Lasers; D057230:Limit of Detection; D015203:Reproducibility of Results; D052616:Solid Phase Extraction / Q000379:methods; D053719:Tandem Mass Spectrometry / Q000379:methods*; D062065:Wastewater / Q000032:analysis / Q000737:chemistry*; D014874:Water Pollutants, Chemical / Q000032:analysis*
chemical_list: D005466:Fluorocarbons; D062065:Wastewater; D014874:Water Pollutants, Chemical
keywords: Experimental design; High resolution accurate mass; Laser diode thermal desorption; Orbitrap; Perfluorinated; Wastewater