Carbon nuclear magnetic resonance spectroscopic fingerprinting of commercial gasoline: Pattern-recognition analyses for screening quality control purposes

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dc.contributor.authorFlumignan, Danilo Luiz [UNESP]
dc.contributor.authorBoralle, Nivaldo [UNESP]
dc.contributor.authorOliveira, Jose Eduardo de [UNESP]
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2014-05-20T14:20:02Z
dc.date.available2014-05-20T14:20:02Z
dc.date.issued2010-06-30
dc.description.abstractIn this work, the combination of carbon nuclear magnetic resonance ((13)C NMR) fingerprinting with pattern-recognition analyses provides an original and alternative approach to screening commercial gasoline quality. Soft Independent Modelling of Class Analogy (SIMCA) was performed on spectroscopic fingerprints to classify representative commercial gasoline samples, which were selected by Hierarchical Cluster Analyses (HCA) over several months in retails services of gas stations, into previously quality-defined classes. Following optimized (13)C NMR-SIMCA algorithm, sensitivity values were obtained in the training set (99.0%), with leave-one-out cross-validation, and external prediction set (92.0%). Governmental laboratories could employ this method as a rapid screening analysis to discourage adulteration practices. (C) 2010 Elsevier B.V. All rights reserved.en
dc.description.affiliationSão Paulo State Univ UNESP, Ctr Monitoring & Res Qual Fuels Biofuels Crude Oi, Inst Chem, Dept Organ Chem, BR-14800900 São Paulo, Brazil
dc.description.affiliationSão Paulo State Univ UNESP, Dept Organ Chem, Inst Chem, BR-14800900 São Paulo, Brazil
dc.description.affiliationUnespSão Paulo State Univ UNESP, Ctr Monitoring & Res Qual Fuels Biofuels Crude Oi, Inst Chem, Dept Organ Chem, BR-14800900 São Paulo, Brazil
dc.description.affiliationUnespSão Paulo State Univ UNESP, Dept Organ Chem, Inst Chem, BR-14800900 São Paulo, Brazil
dc.description.sponsorshipANP
dc.description.sponsorshipFundação para o Desenvolvimento da UNESP (FUNDUNESP)
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.format.extent392-397
dc.identifierhttp://dx.doi.org/10.1016/j.talanta.2010.04.058
dc.identifier.citationTalanta. Amsterdam: Elsevier B.V., v. 82, n. 1, p. 392-397, 2010.
dc.identifier.doi10.1016/j.talanta.2010.04.058
dc.identifier.issn0039-9140
dc.identifier.lattes9352141379363877
dc.identifier.urihttp://hdl.handle.net/11449/26012
dc.identifier.wosWOS:000279488900056
dc.language.isoeng
dc.publisherElsevier B.V.
dc.relation.ispartofTalanta
dc.relation.ispartofjcr4.244
dc.relation.ispartofsjr1,186
dc.rights.accessRightsAcesso restrito
dc.sourceWeb of Science
dc.subjectBrazilian commercial gasolineen
dc.subjectQuality controlen
dc.subjectCarbon nuclear magnetic resonanceen
dc.subjectspectroscopic fingerprintingen
dc.subjectPattern-recognition multivariate SIMCAen
dc.subjectANP Regulation 309en
dc.titleCarbon nuclear magnetic resonance spectroscopic fingerprinting of commercial gasoline: Pattern-recognition analyses for screening quality control purposesen
dc.typeArtigo
dcterms.licensehttp://www.elsevier.com/about/open-access/open-access-policies/article-posting-policy
dcterms.rightsHolderElsevier B.V.
unesp.author.lattes9352141379363877
unesp.campusUniversidade Estadual Paulista (Unesp), Instituto de Química, Araraquarapt

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Artigos - Química Orgânica - IQ