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dc.contributor.authorHerrero Gutiérrez, Ana 
dc.contributor.authorReguera Alonso, Celia 
dc.contributor.authorOrtiz Fernández, Mª Cruz 
dc.contributor.authorSarabia Peinador, Luis Antonio 
dc.date.accessioned2016-10-19T11:28:07Z
dc.date.available2016-10-19T11:28:07Z
dc.date.issued2014-04
dc.identifier.issn0169-7439
dc.identifier.urihttp://hdl.handle.net/10259/4257
dc.description.abstractThe optimization of a GC–MS analytical procedure which includes derivatization, Quick Easy Cheap Effective Rugged and Safe (QuEChERS) and programmed temperature vaporization (PTV) using design of experiments is performed to determine 2,6-dichlorobenzonitrile (dichlobenil) and 2,6-dichlorobenzamide (BAM) in onions, using 3,5-dichlorobenzonitrile and 2,4-dichlorobenzamide as internal standards. The use of a central composite design and two D-optimal designs, together with the desirability function, makes it possible to significantly reduce the economic, time and environmental cost of the study. The usefulness of PARAFAC2 for solving problems as the interference of unexpected derivatization artifacts unavoidably linked to some derivatization agents, or the presence of coeluents from the complex matrix, which share m/z ratios with the target compounds, is shown. The limits of decision (CCα) of the optimized procedure, 5.00 μg kg− 1 for dichlobenil and 1.55 μg kg− 1 for BAM (α = 0.05), are below the maximum residue limit (MRL) established by the EU for dichlobenil (20 μg kg− 1) in this commodity.en
dc.description.sponsorshipMinisterio de Economía y Competitividad (CTQ2011-26022) and Junta de Castilla y León (BU108A11-2)en
dc.format.mimetypeapplication/pdf
dc.language.isoenges
dc.publisherElsevieren
dc.relation.ispartofChemometrics and intelligent laboratory systems. 2014, V. 133, p. 92–108en
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 International
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subjectPTV–GC–MSen
dc.subjectD-optimal designen
dc.subjectParallel factor analysisen
dc.subjectDesirability functionen
dc.subjectDichlobenilen
dc.subjectSANCO/12495/2001en
dc.subject.otherQuímica analíticaes
dc.subject.otherChemistry, Analyticen
dc.titleDetermination of dichlobenil and its major metabolite (BAM) in onions by PTV–GC–MS using PARAFAC2 and experimental design methodologyen
dc.typeArtículoes
dc.typeinfo:eu-repo/semantics/article
dc.rights.accessRightsinfo:eu-repo/semantics/openAccess
dc.relation.publisherversionhttp://dx.doi.org/10.1016/j.chemolab.2013.12.001
dc.identifier.doi10.1016/j.chemolab.2013.12.001
dc.relation.projectIDinfo:eu-repo/grantAgreement/MINECO/CTQ2011-26022
dc.relation.projectIDinfo:eu-repo/grantAgreement/JCyL/BU108A11-2
dc.type.hasVersioninfo:eu-repo/semantics/acceptedVersionen


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