D-optimal experimental design coupled with parallel factor analysis 2 decomposition a useful tool in the determination of triazines in oranges by programmed temperature vaporization-gas chromatography-mass spectrometry when using dispersive-solid phase extraction.
Identifieur interne : 000484 ( PubMed/Checkpoint ); précédent : 000483; suivant : 000485D-optimal experimental design coupled with parallel factor analysis 2 decomposition a useful tool in the determination of triazines in oranges by programmed temperature vaporization-gas chromatography-mass spectrometry when using dispersive-solid phase extraction.
Auteurs : A. Herrero [Espagne] ; M C Ortiz ; L A SarabiaSource :
- Journal of chromatography. A [ 1873-3778 ] ; 2013.
English descriptors
- KwdEn :
- MESH :
- chemical , analysis : Pesticide Residues, Triazines.
- chemistry : Citrus sinensis.
- methods : Gas Chromatography-Mass Spectrometry, Solid Phase Extraction.
- Factor Analysis, Statistical, Limit of Detection, Regression Analysis, Reproducibility of Results.
Abstract
The determination of triazines in oranges using a GC-MS system coupled to a programmed temperature vaporizer (PTV) inlet in the context of legislation is performed. Both pretreatment (using a Quick Easy Cheap Effective Rugged and Safe (QuEChERS) procedure) and injection steps are optimized using D-optimal experimental designs for reducing the experimental effort. The relative dirty extracts obtained and the elution time shifts make it necessary to use a PARAFAC2 decomposition to solve these two usual problems in the chromatographic determinations. The "second-order advantage" of the PARAFAC2 decomposition allows unequivocal identification according to document SANCO/12495/2011 (taking into account the tolerances for relative retention time and the relative abundance for the diagnostic ions), avoiding false negatives even in the presence of unknown co-eluents. The detection limits (CCα) found, from 0.51 to 1.05μgkg(-1), are far below the maximum residue levels (MRLs) established by the European Union for simazine, atrazine, terbuthylazine, ametryn, simetryn, prometryn and terbutryn in oranges. No MRL violations were found in the commercial oranges analyzed.
DOI: 10.1016/j.chroma.2013.02.088
PubMed: 23522618
Affiliations:
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Herrero</name><affiliation wicri:level="2"><nlm:affiliation>Department of Chemistry, University of Burgos, Faculty of Sciences, Pza. Misael Bañuelos s/n, 09001 Burgos, Spain.</nlm:affiliation><country xml:lang="fr">Espagne</country><wicri:regionArea>Department of Chemistry, University of Burgos, Faculty of Sciences, Pza. Misael Bañuelos s/n, 09001 Burgos</wicri:regionArea><placeName><region nuts="2" type="communauté">Castille-et-León</region></placeName></affiliation></author><author><name sortKey="Ortiz, M C" sort="Ortiz, M C" uniqKey="Ortiz M" first="M C" last="Ortiz">M C Ortiz</name></author><author><name sortKey="Sarabia, L A" sort="Sarabia, L A" uniqKey="Sarabia L" first="L A" last="Sarabia">L A Sarabia</name></author></analytic><series><title level="j">Journal of chromatography. 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Both pretreatment (using a Quick Easy Cheap Effective Rugged and Safe (QuEChERS) procedure) and injection steps are optimized using D-optimal experimental designs for reducing the experimental effort. The relative dirty extracts obtained and the elution time shifts make it necessary to use a PARAFAC2 decomposition to solve these two usual problems in the chromatographic determinations. The "second-order advantage" of the PARAFAC2 decomposition allows unequivocal identification according to document SANCO/12495/2011 (taking into account the tolerances for relative retention time and the relative abundance for the diagnostic ions), avoiding false negatives even in the presence of unknown co-eluents. The detection limits (CCα) found, from 0.51 to 1.05μgkg(-1), are far below the maximum residue levels (MRLs) established by the European Union for simazine, atrazine, terbuthylazine, ametryn, simetryn, prometryn and terbutryn in oranges. No MRL violations were found in the commercial oranges analyzed.</div></front></TEI><pubmed><MedlineCitation Status="MEDLINE" Owner="NLM"><PMID Version="1">23522618</PMID><DateCreated><Year>2013</Year><Month>4</Month><Day>8</Day></DateCreated><DateCompleted><Year>2013</Year><Month>07</Month><Day>15</Day></DateCompleted><DateRevised><Year>2013</Year><Month>4</Month><Day>8</Day></DateRevised><Article PubModel="Print-Electronic"><Journal><ISSN IssnType="Electronic">1873-3778</ISSN><JournalIssue CitedMedium="Internet"><Volume>1288</Volume><PubDate><Year>2013</Year><Month>May</Month><Day>3</Day></PubDate></JournalIssue><Title>Journal of chromatography. 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The relative dirty extracts obtained and the elution time shifts make it necessary to use a PARAFAC2 decomposition to solve these two usual problems in the chromatographic determinations. The "second-order advantage" of the PARAFAC2 decomposition allows unequivocal identification according to document SANCO/12495/2011 (taking into account the tolerances for relative retention time and the relative abundance for the diagnostic ions), avoiding false negatives even in the presence of unknown co-eluents. The detection limits (CCα) found, from 0.51 to 1.05μgkg(-1), are far below the maximum residue levels (MRLs) established by the European Union for simazine, atrazine, terbuthylazine, ametryn, simetryn, prometryn and terbutryn in oranges. No MRL violations were found in the commercial oranges analyzed.</AbstractText><CopyrightInformation>Copyright © 2013 Elsevier B.V. All rights reserved.</CopyrightInformation></Abstract><AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Herrero</LastName><ForeName>A</ForeName><Initials>A</Initials><AffiliationInfo><Affiliation>Department of Chemistry, University of Burgos, Faculty of Sciences, Pza. 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