Chemometric processing of second-order liquid chromatographic data with UV-vis and fluorescence detection. A comparison of multivariate curve resolution and parallel factor analysi...

Autores
Bortolato, Santiago Andres; Olivieri, Alejandro Cesar
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Second-order liquid chromatographic data with multivariate spectral (UV?vis 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.
Fil: Bortolato, Santiago Andres. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Química Rosario; Argentina
Fil: Olivieri, Alejandro Cesar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Química Rosario; Argentina
Materia
Parafac2
Mcr-Als
Chromatography
Fluoescence
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/6017
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/6017
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Chemometric processing of second-order liquid chromatographic data with UV-vis and fluorescence detection. A comparison of multivariate curve resolution and parallel factor analysis 2Bortolato, Santiago AndresOlivieri, Alejandro CesarParafac2Mcr-AlsChromatographyFluoescencehttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Second-order liquid chromatographic data with multivariate spectral (UV?vis 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.Fil: Bortolato, Santiago Andres. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Química Rosario; ArgentinaFil: Olivieri, Alejandro Cesar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Química Rosario; ArgentinaElsevier2014-09info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/6017Bortolato, Santiago Andres; Olivieri, Alejandro Cesar; Chemometric processing of second-order liquid chromatographic data with UV-vis and fluorescence detection. A comparison of multivariate curve resolution and parallel factor analysis 2; Elsevier; Analytica Chimica Acta; 842; 9-2014; 11-190003-2670enginfo:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0003267014008319info:eu-repo/semantics/altIdentifier/doi/10.1016/j.aca.2014.07.007info:eu-repo/semantics/altIdentifier/doi/info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:56:33Zoai:ri.conicet.gov.ar:11336/6017instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-03 09:56:33.348CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Chemometric processing of second-order liquid chromatographic data with UV-vis and fluorescence detection. A comparison of multivariate curve resolution and parallel factor analysis 2
title Chemometric processing of second-order liquid chromatographic data with UV-vis and fluorescence detection. A comparison of multivariate curve resolution and parallel factor analysis 2
spellingShingle Chemometric processing of second-order liquid chromatographic data with UV-vis and fluorescence detection. A comparison of multivariate curve resolution and parallel factor analysis 2
Bortolato, Santiago Andres
Parafac2
Mcr-Als
Chromatography
Fluoescence
title_short Chemometric processing of second-order liquid chromatographic data with UV-vis 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-vis 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-vis 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-vis 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-vis and fluorescence detection. A comparison of multivariate curve resolution and parallel factor analysis 2
dc.creator.none.fl_str_mv Bortolato, Santiago Andres
Olivieri, Alejandro Cesar
author Bortolato, Santiago Andres
author_facet Bortolato, Santiago Andres
Olivieri, Alejandro Cesar
author_role author
author2 Olivieri, Alejandro Cesar
author2_role author
dc.subject.none.fl_str_mv Parafac2
Mcr-Als
Chromatography
Fluoescence
topic Parafac2
Mcr-Als
Chromatography
Fluoescence
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Second-order liquid chromatographic data with multivariate spectral (UV?vis 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.
Fil: Bortolato, Santiago Andres. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Química Rosario; Argentina
Fil: Olivieri, Alejandro Cesar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Química Rosario; Argentina
description Second-order liquid chromatographic data with multivariate spectral (UV?vis 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.
publishDate 2014
dc.date.none.fl_str_mv 2014-09
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/6017
Bortolato, Santiago Andres; Olivieri, Alejandro Cesar; Chemometric processing of second-order liquid chromatographic data with UV-vis and fluorescence detection. A comparison of multivariate curve resolution and parallel factor analysis 2; Elsevier; Analytica Chimica Acta; 842; 9-2014; 11-19
0003-2670
url http://hdl.handle.net/11336/6017
identifier_str_mv Bortolato, Santiago Andres; Olivieri, Alejandro Cesar; Chemometric processing of second-order liquid chromatographic data with UV-vis and fluorescence detection. A comparison of multivariate curve resolution and parallel factor analysis 2; Elsevier; Analytica Chimica Acta; 842; 9-2014; 11-19
0003-2670
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0003267014008319
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.aca.2014.07.007
info:eu-repo/semantics/altIdentifier/doi/
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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