Chemometric processing of second-order liquid chromatographic data with UV-visible and fluorescence detection : A comparison of multivariate curve resolution and parallel factor analysis 2

Second-order liquid chromatographic data with multivariate spectral (UV-visible or fluorescence) detection usually show changes in elution time profiles from sample to sample, causing a loss of trilinearity in the data. In order to analyze them with an appropriate model, the latter should permit a g...

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Detalles Bibliográficos
Autores principales:	Bortolato, Santiago Andrés, Olivieri, Alejandro César
Lenguaje:	Inglés
Publicado:	Elsevier 2018
Materias:	Pesticides Parallel Factor Analysis Multivariate Curve Resolution-alternating Least-squares Non-trilinear Chromatographic Data Polycyclic Aromatic Hydrocarbons Second-order Advantage
Acceso en línea:	http://hdl.handle.net/2133/10494 http://hdl.handle.net/2133/10494
Aporte de:	Repositorio Hipermedial de la Universidad Nacional de Rosario (UNR) de Universidad Nacional de Rosario

id	I15-R121-2133-10494
record_format	dspace
institution	Universidad Nacional de Rosario
institution_str	I-15
repository_str	R-121
collection	Repositorio Hipermedial de la Universidad Nacional de Rosario (UNR)
language	Inglés
orig_language_str_mv	eng
topic	Pesticides Parallel Factor Analysis Multivariate Curve Resolution-alternating Least-squares Non-trilinear Chromatographic Data Polycyclic Aromatic Hydrocarbons Second-order Advantage
spellingShingle	Pesticides Parallel Factor Analysis Multivariate Curve Resolution-alternating Least-squares Non-trilinear Chromatographic Data Polycyclic Aromatic Hydrocarbons Second-order Advantage Bortolato, Santiago Andrés Olivieri, Alejandro César Chemometric processing of second-order liquid chromatographic data with UV-visible and fluorescence detection : A comparison of multivariate curve resolution and parallel factor analysis 2
topic_facet	Pesticides Parallel Factor Analysis Multivariate Curve Resolution-alternating Least-squares Non-trilinear Chromatographic Data Polycyclic Aromatic Hydrocarbons Second-order Advantage
description	Second-order liquid chromatographic data with multivariate spectral (UV-visible or fluorescence) detection usually show changes in elution time profiles from sample to sample, causing a loss of trilinearity in the data. In order to analyze them with an appropriate model, the latter should permit a given component to have different time profiles in different samples. Two popular models in this regard are multivariate curve resolution-alternating least-squares (MCR-ALS) and parallel factor analysis 2 (PARAFAC2). The conditions to be fulfilled for successful application of the latter model are discussed on the basis of simple chromatographic concepts. An exhaustive analysis of the multivariate calibration models is carried out, employing both simulated and experimental chromatographic data sets. The latter involve the quantitation of benzimidazolic and carbamate pesticides in fruit and juice samples using liquid chromatography with diode array detection, and of polycyclic aromatic hydrocarbons in water samples, in both cases in the presence of potential interferents using liquid chromatography with fluorescence spectral detection, thereby achieving the second-order advantage. The overall results seem to favor MCR-ALS over PARAFAC2, especially in the presence of potential interferents.
author	Bortolato, Santiago Andrés Olivieri, Alejandro César
author_facet	Bortolato, Santiago Andrés Olivieri, Alejandro César
author_sort	Bortolato, Santiago Andrés
title	Chemometric processing of second-order liquid chromatographic data with UV-visible and fluorescence detection : A comparison of multivariate curve resolution and parallel factor analysis 2
title_short	Chemometric processing of second-order liquid chromatographic data with UV-visible and fluorescence detection : A comparison of multivariate curve resolution and parallel factor analysis 2
title_full	Chemometric processing of second-order liquid chromatographic data with UV-visible and fluorescence detection : A comparison of multivariate curve resolution and parallel factor analysis 2
title_fullStr	Chemometric processing of second-order liquid chromatographic data with UV-visible and fluorescence detection : A comparison of multivariate curve resolution and parallel factor analysis 2
title_full_unstemmed	Chemometric processing of second-order liquid chromatographic data with UV-visible and fluorescence detection : A comparison of multivariate curve resolution and parallel factor analysis 2
title_sort	chemometric processing of second-order liquid chromatographic data with uv-visible and fluorescence detection : a comparison of multivariate curve resolution and parallel factor analysis 2
publisher	Elsevier
publishDate	2018
url	http://hdl.handle.net/2133/10494 http://hdl.handle.net/2133/10494
work_keys_str_mv	AT bortolatosantiagoandres chemometricprocessingofsecondorderliquidchromatographicdatawithuvvisibleandfluorescencedetectionacomparisonofmultivariatecurveresolutionandparallelfactoranalysis2 AT olivierialejandrocesar chemometricprocessingofsecondorderliquidchromatographicdatawithuvvisibleandfluorescencedetectionacomparisonofmultivariatecurveresolutionandparallelfactoranalysis2
bdutipo_str	Repositorios
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Chemometric processing of second-order liquid chromatographic data with UV-visible and fluorescence detection : A comparison of multivariate curve resolution and parallel factor analysis 2

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