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dc.contributor.CRUESPUniversidade Estadual de Campinaspt_BR
dc.typeArtigo de periódicopt_BR
dc.titleDirect sampling tandem mass spectrometry (MS/MS) and multiway calibration for isomer quantitationpt_BR
dc.contributor.authorZampronio, CGpt_BR
dc.contributor.authorGurden, SPpt_BR
dc.contributor.authorMoraes, LABpt_BR
dc.contributor.authorEberlin, MNpt_BR
dc.contributor.authorSmilde, AKpt_BR
dc.contributor.authorPoppi, RJpt_BR
unicamp.authorUniv Estadual Campinas, Inst Quim, BR-13083970 Campinas, SP, Brazil Univ Amsterdam, Dept Chem Engn, Proc Anal & Chemometr Grp, NL-1018 WV Amsterdam, Netherlandspt_BR
dc.subject.wosVolatile Organic-compoundspt_BR
dc.subject.wosLeast-squares Regressionpt_BR
dc.subject.wosHeteroscedastic Noisept_BR
dc.subject.wos2nd-order Calibrationpt_BR
dc.subject.wosAqueous-solutionpt_BR
dc.subject.wosWaterpt_BR
dc.subject.wosPlspt_BR
dc.subject.wosHydrocarbonspt_BR
dc.subject.wosSelectionpt_BR
dc.subject.wosTutorialpt_BR
dc.description.abstractDirect sampling tandem mass spectrometry (MS/MS) was used for the quantitation of mixtures of the isomers 2-, 3- and 4-ethyl pyridine. The similarity between the analytes and the second-order nature of MS/MS data require the use of multivariate calibration techniques capable of handling multiway data. Multilinear PLS (N-PLS) was applied here, as well as the alternative technique of unfolding the data and using standard two-way PLS. Particular attention was paid to the optimal type of spectral preprocessing. Due to the presence of heteroscedastic noise the logarithmic transform of the spectra prior to calibration gives the best results. Predictions errors of the order of 10-15% were obtained, which compare well with other results found in the literature.pt
dc.relation.ispartofAnalystpt_BR
dc.relation.ispartofabbreviationAnalystpt_BR
dc.publisher.cityCambridgept_BR
dc.publisher.countryInglaterrapt_BR
dc.publisherRoyal Soc Chemistrypt_BR
dc.date.issued2002pt_BR
dc.identifier.citationAnalyst. Royal Soc Chemistry, v. 127, n. 8, n. 1054, n. 1060, 2002.pt_BR
dc.language.isoenpt_BR
dc.description.volume127pt_BR
dc.description.issuenumber8pt_BR
dc.description.firstpage1054pt_BR
dc.description.lastpage1060pt_BR
dc.rightsabertopt_BR
dc.sourceWeb of Sciencept_BR
dc.identifier.issn0003-2654pt_BR
dc.identifier.wosidWOS:000177201900009pt_BR
dc.identifier.doi10.1039/b202948kpt_BR
dc.date.available2014-11-17T13:35:28Z
dc.date.available2015-11-26T16:43:31Z-
dc.date.accessioned2014-11-17T13:35:28Z
dc.date.accessioned2015-11-26T16:43:31Z-
dc.description.provenanceMade available in DSpace on 2014-11-17T13:35:28Z (GMT). No. of bitstreams: 1 WOS000177201900009.pdf: 380015 bytes, checksum: a38b077115b9ac2ee6043b972570b9aa (MD5) Previous issue date: 2002en
dc.description.provenanceMade available in DSpace on 2015-11-26T16:43:31Z (GMT). No. of bitstreams: 2 WOS000177201900009.pdf: 380015 bytes, checksum: a38b077115b9ac2ee6043b972570b9aa (MD5) WOS000177201900009.pdf.txt: 33740 bytes, checksum: 4c47affed60c57f62dbe16043e79b0d4 (MD5) Previous issue date: 2002en
dc.identifier.urihttp://www.repositorio.unicamp.br/jspui/handle/REPOSIP/79601pt_BR
dc.identifier.urihttp://www.repositorio.unicamp.br/handle/REPOSIP/79601
dc.identifier.urihttp://repositorio.unicamp.br/jspui/handle/REPOSIP/79601-
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