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Exploration of liquid chromatographic-diode array data for Argentinean wines by extended multivariate curve resolution

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dc.citation.titleChemometrics and Intelligent Laboratory Systems
dc.citation.volume132
dc.creatorPisano, Pablo Luis
dc.creatorSilva, María Fernanda
dc.creatorOlivieri, Alejandro César
dc.date.accessioned2018-02-04T20:21:46Z
dc.date.available2018-02-04T20:21:46Z
dc.date.issued2014-03-15
dc.descriptionSecond-order data were measured using high-performance liquid-chromatography with diode array detection (HPLC-DAD) for a number of wine samples, which were directly injected in the HPLC-DAD system without sample pre-treatment. The data were arranged in data matrices whose modes were elution time and UV?visible absorption wavelength, and processed by extended multivariate curve resolution coupled to alternating least squares(MCR?ALS). The individual data matrices were organized in a row-wise augmented data matrix sharing the time subspace, due to the high spectral similarity among several sample components. This required previous time alignment of the chromatograms using a suitable synchronization algorithm, in order to produce a bilinear augmented datamatrix to be processed by MCR?ALS. The latter algorithm led to resolved component chromatogramsand spectra, from which component scores could be estimated, which are proportional to the relative component concentrations in each studied sample. The matrix of sample scoreswas then submitted to principal component analysis, which was applied for data exploration according to grape varietal and geographical origin. The results showed that the present data generation and analysis are useful for the discrimination of all samples of the Malbec varietal from the remaining ones, but achieved partial success regarding geographical origin.es
dc.description.filFil: Pisano, Pablo Luis. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Analítica. Instituto de Química Rosario (IQUIR-CONICET); Argentina.
dc.description.filFil: Silva, María Fernanda. Universidad Nacional de Cuyo. Facultad de Ciencias Agrarias. Instituto de Biología Agrícola de Mendoza (IBAM-CONICET); Argentina.
dc.description.filFil: Olivieri, Alejandro César. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Analítica. Instituto de Química Rosario (IQUIR-CONICET); Argentina.
dc.description.sponsorshipUniversidad Nacional de Rosarioes
dc.description.sponsorshipUniversidad Nacional de Cuyoes
dc.description.sponsorshipConsejo Nacional de Investigaciones Científicas y Técnicas (CONICET)es
dc.description.sponsorshipAgencia Nacional de Promoción Científica y Tecnológica (ANPCyT), PICT 2010-0084es
dc.formatapplication/pdf
dc.format.extent1-7
dc.identifier.issn0169-7439
dc.identifier.urihttp://hdl.handle.net/2133/10496
dc.language.isoenges
dc.publisherElsevieres
dc.relation.publisherversionhttps://www.sciencedirect.com/science/article/pii/S0169743913002402es
dc.relation.publisherversionhttps://doi.org/10.1016/j.chemolab.2013.12.010es
dc.rightsopenAccesses
dc.rights.holderUniversidad Nacional de Rosarioes
dc.rights.holderElsevieres
dc.rights.holderPisano, Pablo Luises
dc.rights.holderSilva, María Fernandaes
dc.rights.holderOlivieri, Alejandro Césares
dc.rights.holderUniversidad Nacional de Cuyo
dc.rights.textAttribution-NonCommercial-NoDerivs 3.0 Unported (CC BY-NC-ND 3.0)es
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/3.0/*
dc.subjectLiquid Chromatographyes
dc.subjectMultivariate Curve Resolutiones
dc.subjectPrincipal Component Analysises
dc.subjectDirect Injectiones
dc.subjectWine Data Explorationes
dc.titleExploration of liquid chromatographic-diode array data for Argentinean wines by extended multivariate curve resolutiones
dc.typepublishedVersion

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