RT info:eu-repo/semantics/article
T1 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
A1 Valverde Som, Lucía
A1 Herrero Gutiérrez, Ana
A1 Reguera Alonso, Celia
A1 Sarabia Peinador, Luis Antonio
A1 Ortiz Fernández, Mª Cruz
K1 D-optimal desing
K1 HS-SPME-GC-MS
K1 PARAFAC2
K1 Multi-objective optimization
K1 Plastic additive residues
K1 Natural mineral water
K1 Química analítica
K1 Chemistry, Analytic
AB A new multi-factor multi-objective strategy to approach the joint assessment of the effect of six experimentalfactors 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 typeof fiber, addition of salt, extraction and desorption time, and extraction temperature. The effect of these factors isstudied through a factorial presence-absence model, that include interactions, using a D-optimal design. As aresult, the number of experiments is reduced from 128, full factorial design, to 14. The effect of carrying out themeasurements in different experimental sessions is considered by including a blocking factor. The response foreach compound is estimated in the experimental domain and then the best experimental conditions are chosen byusing 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 ofunknown interferents possible, which enables the unequivocal identification of target compounds according toofficial 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 thesecompounds 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.
PB Elsevier
SN 0039-9140
YR 2023
FD 2023-02
LK http://hdl.handle.net/10259/7476
UL http://hdl.handle.net/10259/7476
LA eng
NO The authors thank the financial support provided by Consejería de la Junta de Castilla y Leon ´ (JCyL) through project BU052P20 co-financed with European FEDER funds. Lucía Valverde-Som thanks JCyL for her postdoctoral contract through this project.
DS Repositorio Institucional de la Universidad de Burgos
RD 05-may-2024