title: Highly sensitive quantitation of pesticides in fruit juice samples by modeling four-way data gathered with high-performance liquid chromatography with fluorescence excitation-emission detection.
abstract: A study regarding the acquisition and analytical utilization of four-way data acquired by monitoring excitation-emission fluorescence matrices at different elution time points in a fast HPLC procedure is presented. The data were modeled with three well-known algorithms: PARAFAC, U-PLS/RTL and MCR-ALS, the latter conveniently adapted to model third-order data. The second-order advantage was exploited when analyzing samples containing uncalibrated components. The best results were furnished with the algorithm U-PLS/RTL. This fact is indicative of both no peak time shifts occurrence among samples and high colinearity among spectra. Besides, this latent-variable structured algorithm is capable of better handle the need of achieving high sensitivity for the analysis of one of the analytes. In addition, a significant enhancement in both predictions and analytical figures of merit was observed for carbendazim, thiabendazole, fuberidazole, carbofuran, carbaryl and 1-naphtol, when going from second- to third-order data. LODs obtained were ranged between 0.02 and 2.4μgL(-1).
authors.affiliation: Laboratorio de Desarrollo Analítico y Quimiometría (LADAQ), Cátedra de Química Analítica I, Facultad de Bioquímica y Ciencias Biológicas, Universidad Nacional del Litoral, Ciudad Universitaria, 3000 Santa Fe, Argentina.
authors.forename: Milagros
authors.initials: M
authors.lastname: Montemurro
authors.affiliation: Laboratório de Automação e Instrumentação em Química Analítica e Quimiometria (LAQA) Universidade Federal da Paraíba, CCEN, Departamento de Química, Caixa Postal 5093, CEP 58051-900 João Pessoa, PB, Brazil.
authors.forename: Licarion
authors.initials: L
authors.lastname: Pinto
authors.affiliation: Departamento de Química, Centro de Ciências e Tecnologia, Universidade Estadual da Paraíba, 58.429-500 Campina Grande, PB, Brazil.
authors.forename: Germano
authors.initials: G
authors.lastname: Véras
authors.affiliation: Laboratório de Automação e Instrumentação em Química Analítica e Quimiometria (LAQA) Universidade Federal da Paraíba, CCEN, Departamento de Química, Caixa Postal 5093, CEP 58051-900 João Pessoa, PB, Brazil.
authors.forename: Adriano
authors.initials: A
authors.lastname: de Araújo Gomes
authors.affiliation: Laboratorio de Desarrollo Analítico y Quimiometría (LADAQ), Cátedra de Química Analítica I, Facultad de Bioquímica y Ciencias Biológicas, Universidad Nacional del Litoral, Ciudad Universitaria, 3000 Santa Fe, Argentina.
authors.forename: María J
authors.initials: MJ
authors.lastname: Culzoni
authors.affiliation: Laboratório de Automação e Instrumentação em Química Analítica e Quimiometria (LAQA) Universidade Federal da Paraíba, CCEN, Departamento de Química, Caixa Postal 5093, CEP 58051-900 João Pessoa, PB, Brazil. Electronic address: laqa@quimica.ufpb.br.
authors.forename: Mário C
authors.initials: MC
authors.lastname: Ugulino de Araújo
authors.affiliation: Laboratorio de Desarrollo Analítico y Quimiometría (LADAQ), Cátedra de Química Analítica I, Facultad de Bioquímica y Ciencias Biológicas, Universidad Nacional del Litoral, Ciudad Universitaria, 3000 Santa Fe, Argentina. Electronic address: hgoico@fbcb.unl.edu.ar.
authors.forename: Héctor C
authors.initials: HC
authors.lastname: Goicoechea
mesh_terms: D002138:Calibration; D012721:Carbaryl; D002851:Chromatography, High Pressure Liquid; D000067030:Fruit and Vegetable Juices; D010575:Pesticides; D013050:Spectrometry, Fluorescence
chemical_list: D010575:Pesticides; D012721:Carbaryl
keywords: Four-way data array; Fruit juice; Liquid chromatography; Multi-way calibration; Pesticides