title: Green analytical determination of emerging pollutants in environmental waters using excitation-emission photoinduced fluorescence data and multivariate calibration.
abstract: An eco-friendly strategy for the simultaneous quantification of three emerging pharmaceutical contaminants is presented. The proposed analytical method, which involves photochemically induced fluorescence matrix data combined with second-order chemometric analysis, was used for the determination of carbamazepine, ofloxacin and piroxicam in water samples of different complexity without the need of chromatographic separation. Excitation-emission photoinduced fluorescence matrices were obtained after UV irradiation, and processed with second-order algorithms. Only one of the tested algorithms was able to overcome the strong spectral overlapping among the studied pollutants and allowed their successful quantitation in very interferent media. The method sensitivity in superficial and underground water samples was enhanced by a simple solid-phase extraction with C18 membranes, which was successful for the extraction/preconcentration of the pollutants at trace levels. Detection limits in preconcentrated (1:125) real water samples ranged from 0.04 to 0.3 ng mL(-1). Relative prediction errors around 10% were achieved. The proposed strategy is significantly simpler and greener than liquid chromatography-mass spectrometry methods, without compromising the analytical quality of the results.
authors.affiliation: Department of Analytical Chemistry, University of Extremadura, 06006 Badajoz, Spain.
authors.forename: María Del Carmen
authors.initials: MDC
authors.lastname: Hurtado-Sánchez
authors.affiliation: Departamento de Química Analítica, Facultad de Ciencias Bioquímicas y Farmacéuticas, Universidad Nacional de Rosario, Instituto de Química de Rosario (IQUIR-CONICET), Suipacha 531, Rosario S2002LRK, Argentina.
authors.forename: Valeria A
authors.initials: VA
authors.lastname: Lozano
authors.affiliation: Department of Analytical Chemistry, University of Extremadura, 06006 Badajoz, Spain.
authors.forename: María Isabel
authors.initials: MI
authors.lastname: Rodríguez-Cáceres
authors.affiliation: Department of Analytical Chemistry, University of Extremadura, 06006 Badajoz, Spain.
authors.forename: Isabel
authors.initials: I
authors.lastname: Durán-Merás
authors.affiliation: Departamento de Química Analítica, Facultad de Ciencias Bioquímicas y Farmacéuticas, Universidad Nacional de Rosario, Instituto de Química de Rosario (IQUIR-CONICET), Suipacha 531, Rosario S2002LRK, Argentina. Electronic address: escandar@iquir-conicet.gov.ar.
authors.forename: Graciela M
authors.initials: GM
authors.lastname: Escandar
mesh_terms: D000465:Algorithms; D002220:Carbamazepine / Q000032:analysis*; D060766:Drinking Water / Q000737:chemistry*; D005453:Fluorescence; D005618:Fresh Water / Q000737:chemistry*; D055772:Green Chemistry Technology; D006801:Humans; D057230:Limit of Detection; D015242:Ofloxacin / Q000032:analysis*; D010894:Piroxicam / Q000032:analysis*; D013050:Spectrometry, Fluorescence; D014466:Ultraviolet Rays; D014874:Water Pollutants, Chemical / Q000032:analysis*
chemical_list: D060766:Drinking Water; D014874:Water Pollutants, Chemical; D010894:Piroxicam; D002220:Carbamazepine; D015242:Ofloxacin
keywords: Emerging pollutants; Photoinduced fluorescence; Unfolded partial least-squares/residual bilinearization; Water samples