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    Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10259/7476

    Título
    A new multi-factor multi-objective strategy based on a factorial presence-absence design to determine polymer additive residues by means of head space-solid phase microextraction-gas chromatography-mass spectrometry
    Autor
    Valverde Som, LucíaAutoridad UBU Orcid
    Herrero Gutiérrez, AnaAutoridad UBU Orcid
    Reguera Alonso, CeliaAutoridad UBU Orcid
    Sarabia Peinador, Luis AntonioAutoridad UBU Orcid
    Ortiz Fernández, Mª CruzAutoridad UBU Orcid
    Publicado en
    Talanta. 2023, V. 253, 124021
    Editorial
    Elsevier
    Fecha de publicación
    2023-02
    ISSN
    0039-9140
    DOI
    10.1016/j.talanta.2022.124021
    Resumen
    A new multi-factor multi-objective strategy to approach the joint assessment of the effect of six experimental factors in the determination by head space-solid phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS) of eight different additives commonly used in the plastic packaging manufacturing is proposed in this work. Five HS-SPME experimental factors, both qualitative and quantitative, are explored: the type of fiber, addition of salt, extraction and desorption time, and extraction temperature. The effect of these factors is studied through a factorial presence-absence model, that include interactions, using a D-optimal design. As a result, the number of experiments is reduced from 128, full factorial design, to 14. The effect of carrying out the measurements in different experimental sessions is considered by including a blocking factor. The response for each compound is estimated in the experimental domain and then the best experimental conditions are chosen by using Pareto front. Parallel coordinates are employed to show the conflicting conditions intrinsic to a multiobjective analysis when compounds of different nature are extracted by HS-SPME. Parallel factor analysis 2 (PARAFAC2) decomposition is used because it makes the determination of target compounds in the presence of unknown interferents possible, which enables the unequivocal identification of target compounds according to official regulations. The developed method is applied to determine 2,6-di-tert-butyl-4-methyl-phenol (BHT), benzophenone (BP), bis(2-ethylhexyl) adipate (DEHA), diethyl phthalate (DEP), diisobutyl phthalate (DiBP), dibutyl phthalate (DBP), benzyl butyl phthalate (BBP) and bis(2-ethylhexyl) phthalate (DEHP). The level of these compounds found in nine types of bottled natural still and sparkling mineral waters is very low, so the compounds were not present in quantities that may be injurious to human health.
    Palabras clave
    D-optimal desing
    HS-SPME-GC-MS
    PARAFAC2
    Multi-objective optimization
    Plastic additive residues
    Natural mineral water
    Materia
    Química analítica
    Chemistry, Analytic
    URI
    http://hdl.handle.net/10259/7476
    Versión del editor
    https://doi.org/10.1016/j.talanta.2022.124021
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    Attribution-NonCommercial-NoDerivatives 4.0 Internacional
    Documento(s) sujeto(s) a una licencia Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 Internacional
    Ficheros en este ítem
    Nombre:
    Valverde-talanta_2023.pdf
    Tamaño:
    1.420Mb
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