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Please use this identifier to cite or link to this item: http://hdl.handle.net/1843/41439
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dc.creatorCarina de Souza Gondimpt_BR
dc.creatorRoberto Gonçalves Junqueirapt_BR
dc.creatorScheilla Vitorino Carvalho de Souzapt_BR
dc.creatorMaria Pilar Callaopt_BR
dc.creatorItziar Ruisánchezpt_BR
dc.date.accessioned2022-05-06T21:03:36Z-
dc.date.available2022-05-06T21:03:36Z-
dc.date.issued2017-06-01-
dc.citation.volume168pt_BR
dc.citation.spage23pt_BR
dc.citation.epage30pt_BR
dc.identifier.doi10.1016/j.talanta.2016.12.065pt_BR
dc.identifier.issn0039-9140pt_BR
dc.identifier.urihttp://hdl.handle.net/1843/41439-
dc.description.resumoA strategy for determining performance parameters of two–class multivariate qualitative methods was proposed. As case study, multivariate classification methods based on mid-infrared (MIR) spectroscopy coupled with the soft independent modelling of class analogy (SIMCA) technique for detection of hydrogen peroxide and formaldehyde in milk were developed. From the outputs (positive/negative/inconclusive) of the samples, which were unadulterated and adulterated at target value, the main performance parameters were obtained. Sensitivity and specificity values for the unadulterated and adulterated classes were satisfactory. Inconclusive ratios 12% and 21%, respectively, for hydrogen peroxide and formaldehyde were obtained. To evaluate the performance parameters related to concentration, Probability of Detection (POD) curves were established, estimating the decision limit, the capacity of detection and the unreliability region. When inconclusive outputs were obtained, two additional concentration limits were defined: the decision limit with inconclusive outputs and the detection capability with inconclusive outputs. The POD curves showed that for concentrations below 3.7 g L−1 of hydrogen peroxide and close to zero of formaldehyde, the chance of giving a positive output (adulterated sample) was lower than 5%. For concentrations at or above 11.3 g L−1 of hydrogen peroxide and 10 mg L−1 of formaldehyde, the probability of giving a negative output was also lower than 5%.pt_BR
dc.description.sponsorshipCAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superiorpt_BR
dc.description.sponsorshipOutra Agênciapt_BR
dc.languageengpt_BR
dc.publisherUniversidade Federal de Minas Geraispt_BR
dc.publisher.countryBrasilpt_BR
dc.publisher.departmentFAR - DEPARTAMENTO DE ALIMENTOSpt_BR
dc.publisher.initialsUFMGpt_BR
dc.relation.ispartofTalantapt_BR
dc.rightsAcesso Restritopt_BR
dc.subjectMethod validationpt_BR
dc.subjectMultivariate qualitative analysispt_BR
dc.subjectMilk adulterationpt_BR
dc.subjectPOD curvespt_BR
dc.subjectPerformance parameterspt_BR
dc.subjectSIMCApt_BR
dc.subject.otherTecnologia de alimentospt_BR
dc.subject.otherLeitept_BR
dc.titleDetermining performance parameters in qualitative multivariate methods using probability of detection (POD) curves. Case study: two common milk adulterantspt_BR
dc.typeArtigo de Periódicopt_BR
dc.url.externahttps://www.sciencedirect.com/science/article/pii/S0039914016310128?via%3Dihubpt_BR
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