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

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dc.creator	Pisano, Pablo Luis
dc.creator	Silva, María Fernanda
dc.creator	Olivieri, Alejandro César
dc.date.accessioned	2018-02-04T20:21:46Z
dc.date.available	2018-02-04T20:21:46Z
dc.date.issued	2014-03-15
dc.identifier.issn	0169-7439
dc.identifier.uri	http://hdl.handle.net/2133/10496
dc.description	Second-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.sponsorship	Universidad Nacional de Rosario	es
dc.description.sponsorship	Universidad Nacional de Cuyo	es
dc.description.sponsorship	Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET)	es
dc.description.sponsorship	Agencia Nacional de Promoción Científica y Tecnológica (ANPCyT), PICT 2010-0084	es
dc.format	application/pdf
dc.format.extent	1-7
dc.language.iso	eng	es
dc.publisher	Elsevier	es
dc.rights	openAccess	es
dc.rights.uri	https://creativecommons.org/licenses/by-nc-nd/3.0/	*
dc.subject	Liquid Chromatography	es
dc.subject	Multivariate Curve Resolution	es
dc.subject	Principal Component Analysis	es
dc.subject	Direct Injection	es
dc.subject	Wine Data Exploration	es
dc.title	Exploration of liquid chromatographic-diode array data for Argentinean wines by extended multivariate curve resolution	es
dc.rights.holder	Universidad Nacional de Rosario	es
dc.rights.holder	Elsevier	es
dc.rights.holder	Pisano, Pablo Luis	es
dc.rights.holder	Silva, María Fernanda	es
dc.rights.holder	Olivieri, Alejandro César	es
dc.rights.holder	Universidad Nacional de Cuyo
dc.relation.publisherversion	https://www.sciencedirect.com/science/article/pii/S0169743913002402	es
dc.relation.publisherversion	https://doi.org/10.1016/j.chemolab.2013.12.010	es
dc.rights.text	Attribution-NonCommercial-NoDerivs 3.0 Unported (CC BY-NC-ND 3.0)	es
dc.citation.title	Chemometrics and Intelligent Laboratory Systems
dc.citation.volume	132
dc.description.fil	Fil: 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.fil	Fil: Silva, María Fernanda. Universidad Nacional de Cuyo. Facultad de Ciencias Agrarias. Instituto de Biología Agrícola de Mendoza (IBAM-CONICET); Argentina.
dc.description.fil	Fil: Olivieri, Alejandro César. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Analítica. Instituto de Química Rosario (IQUIR-CONICET); Argentina.