2026-04-20T00:12:25Zhttps://riubu.ubu.es/oai/requestoai:riubu.ubu.es:10259/74762023-04-17T10:47:06Zcom_10259_4249com_10259_5086com_10259_2604col_10259_4250
Valverde Som, Lucía
583
600
0000-0002-6102-5039
Herrero Gutiérrez, Ana
282
600
0000-0001-6126-1907
Reguera Alonso, Celia
469
600
0000-0002-1263-4495
Sarabia Peinador, Luis Antonio
534
600
0000-0002-5936-7929
Ortiz Fernández, Mª Cruz
406
600
0000-0002-4751-8929
2023-03-01T08:45:56Z
2023-03-01T08:45:56Z
2023-02
0039-9140
http://hdl.handle.net/10259/7476
10.1016/j.talanta.2022.124021
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.
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.
application/pdf
eng
Elsevier
Talanta. 2023, V. 253, 124021
https://doi.org/10.1016/j.talanta.2022.124021
info:eu-repo/grantAgreement/Junta de Castilla y León//BU052P20//Nuevos desarrollos metodológicos del diseño de experimentos para análisis químicos, bioquímicos y en tecnología analítica de procesos/
Attribution-NonCommercial-NoDerivatives 4.0 Internacional
http://creativecommons.org/licenses/by-nc-nd/4.0/
info:eu-repo/semantics/openAccess
D-optimal desing
HS-SPME-GC-MS
PARAFAC2
Multi-objective optimization
Plastic additive residues
Natural mineral water
Química analítica
Chemistry, Analytic
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
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Talanta
253
THUMBNAIL
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Valverde-talanta_2023.pdf
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oai:riubu.ubu.es:10259/7476
2023-04-17 12:47:06.461
Repositorio Institucional de la Universidad de Burgos
bubrep@ubu.es
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