Four-way multivariate calibration using ultra-fast High-Performance Liquid Chromatography with Fluorescence Excitation-Emission detection. Application to the direct analysis of chl...

Autores
Lozano, Valeria Antonella; Muñoz de la Peña, Arsenio; Durán Merás, Isabel; Espinosa Mansilla, Anunciación; Escandar, Graciela Monica
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
A four-way multivariate calibration approach, based on the combination of ultra-fast high-performance liquid chromatographic data and four-way algorithms, is described for the first time. To achieve this goal, several emission wavelength-elution time matrices (ETMs) were recorded as a function of the excitation wavelength. Each sample was injected into the chromatograph eight times, in sequential mode, each time exciting at a different wavelength across the excitation spectra of the compounds of interest, and the emission spectra were recorded along the full chromatogram using a fast scanning fluorescence detector. The data were obtained in a very short time with an ultrafast chromatographic system operating in gradient mode. The three-way ETM data thus obtained for the calibration sample set and for each of the test samples were joined into a single four-way array, which was subsequently analyzed with parallel factor analysis (PARAFAC), unfolded partial least-squares with residual trilinearization (U-PLS/RTL) and multi-way partial least-squares with residual trilinearization (N-PLS/RTL) multivariate calibration algorithms. Best results were found when either U-PLS/RTL or N-PLS/RTL algorithms were used to perform the multivariate calibration. The method was applied to the direct determination of chlorophylls a and b and pheophytins a and b in olive oil samples, in the presence of other interfering fluorescent compounds, and without previous sample treatment.
Fil: Lozano, Valeria Antonella. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Química Rosario; Argentina
Fil: Muñoz de la Peña, Arsenio. Universidad de Extremadura; España
Fil: Durán Merás, Isabel. Universidad de Extremadura; España
Fil: Espinosa Mansilla, Anunciación. Universidad de Extremadura; España
Fil: Escandar, Graciela Monica. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Química Rosario; Argentina
Materia
Elution Timeemission Wavelengthexcitation Wavelength Data
Third-Order Multivariate Calibration
Chlorophylls And Pheophytins
Olive Oils
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:11336/6027
Acceder
id CONICETDig_2b13b08b49ad9012908387d9525e63d1
oai_identifier_str oai:ri.conicet.gov.ar:11336/6027
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Four-way multivariate calibration using ultra-fast High-Performance Liquid Chromatography with Fluorescence Excitation-Emission detection. Application to the direct analysis of chlorophylls a and b and pheophytins a and b in olive oilsLozano, Valeria AntonellaMuñoz de la Peña, ArsenioDurán Merás, IsabelEspinosa Mansilla, AnunciaciónEscandar, Graciela MonicaElution Timeemission Wavelengthexcitation Wavelength DataThird-Order Multivariate CalibrationChlorophylls And PheophytinsOlive Oilshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1A four-way multivariate calibration approach, based on the combination of ultra-fast high-performance liquid chromatographic data and four-way algorithms, is described for the first time. To achieve this goal, several emission wavelength-elution time matrices (ETMs) were recorded as a function of the excitation wavelength. Each sample was injected into the chromatograph eight times, in sequential mode, each time exciting at a different wavelength across the excitation spectra of the compounds of interest, and the emission spectra were recorded along the full chromatogram using a fast scanning fluorescence detector. The data were obtained in a very short time with an ultrafast chromatographic system operating in gradient mode. The three-way ETM data thus obtained for the calibration sample set and for each of the test samples were joined into a single four-way array, which was subsequently analyzed with parallel factor analysis (PARAFAC), unfolded partial least-squares with residual trilinearization (U-PLS/RTL) and multi-way partial least-squares with residual trilinearization (N-PLS/RTL) multivariate calibration algorithms. Best results were found when either U-PLS/RTL or N-PLS/RTL algorithms were used to perform the multivariate calibration. The method was applied to the direct determination of chlorophylls a and b and pheophytins a and b in olive oil samples, in the presence of other interfering fluorescent compounds, and without previous sample treatment.Fil: Lozano, Valeria Antonella. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Química Rosario; ArgentinaFil: Muñoz de la Peña, Arsenio. Universidad de Extremadura; EspañaFil: Durán Merás, Isabel. Universidad de Extremadura; EspañaFil: Espinosa Mansilla, Anunciación. Universidad de Extremadura; EspañaFil: Escandar, Graciela Monica. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Química Rosario; ArgentinaElsevier2013-06info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/6027Lozano, Valeria Antonella; Muñoz de la Peña, Arsenio; Durán Merás, Isabel; Espinosa Mansilla, Anunciación; Escandar, Graciela Monica; Four-way multivariate calibration using ultra-fast High-Performance Liquid Chromatography with Fluorescence Excitation-Emission detection. Application to the direct analysis of chlorophylls a and b and pheophytins a and b in olive oils; Elsevier; Chemometrics and Intelligent Laboratory Systems; 125; 6-2013; 121-1310169-7439enginfo:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0169743913000622info:eu-repo/semantics/altIdentifier/doi/10.1016/j.chemolab.2013.04.005info: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 Técnicas2026-08-25T14:38:12Zoai:ri.conicet.gov.ar:11336/6027instacron: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:34982026-08-25 14:38:12.586CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Four-way multivariate calibration using ultra-fast High-Performance Liquid Chromatography with Fluorescence Excitation-Emission detection. Application to the direct analysis of chlorophylls a and b and pheophytins a and b in olive oils
title Four-way multivariate calibration using ultra-fast High-Performance Liquid Chromatography with Fluorescence Excitation-Emission detection. Application to the direct analysis of chlorophylls a and b and pheophytins a and b in olive oils
spellingShingle Four-way multivariate calibration using ultra-fast High-Performance Liquid Chromatography with Fluorescence Excitation-Emission detection. Application to the direct analysis of chlorophylls a and b and pheophytins a and b in olive oils
Lozano, Valeria Antonella
Elution Timeemission Wavelengthexcitation Wavelength Data
Third-Order Multivariate Calibration
Chlorophylls And Pheophytins
Olive Oils
title_short Four-way multivariate calibration using ultra-fast High-Performance Liquid Chromatography with Fluorescence Excitation-Emission detection. Application to the direct analysis of chlorophylls a and b and pheophytins a and b in olive oils
title_full Four-way multivariate calibration using ultra-fast High-Performance Liquid Chromatography with Fluorescence Excitation-Emission detection. Application to the direct analysis of chlorophylls a and b and pheophytins a and b in olive oils
title_fullStr Four-way multivariate calibration using ultra-fast High-Performance Liquid Chromatography with Fluorescence Excitation-Emission detection. Application to the direct analysis of chlorophylls a and b and pheophytins a and b in olive oils
title_full_unstemmed Four-way multivariate calibration using ultra-fast High-Performance Liquid Chromatography with Fluorescence Excitation-Emission detection. Application to the direct analysis of chlorophylls a and b and pheophytins a and b in olive oils
title_sort Four-way multivariate calibration using ultra-fast High-Performance Liquid Chromatography with Fluorescence Excitation-Emission detection. Application to the direct analysis of chlorophylls a and b and pheophytins a and b in olive oils
dc.creator.none.fl_str_mv Lozano, Valeria Antonella
Muñoz de la Peña, Arsenio
Durán Merás, Isabel
Espinosa Mansilla, Anunciación
Escandar, Graciela Monica
author Lozano, Valeria Antonella
author_facet Lozano, Valeria Antonella
Muñoz de la Peña, Arsenio
Durán Merás, Isabel
Espinosa Mansilla, Anunciación
Escandar, Graciela Monica
author_role author
author2 Muñoz de la Peña, Arsenio
Durán Merás, Isabel
Espinosa Mansilla, Anunciación
Escandar, Graciela Monica
author2_role author
author
author
author
dc.subject.none.fl_str_mv Elution Timeemission Wavelengthexcitation Wavelength Data
Third-Order Multivariate Calibration
Chlorophylls And Pheophytins
Olive Oils
topic Elution Timeemission Wavelengthexcitation Wavelength Data
Third-Order Multivariate Calibration
Chlorophylls And Pheophytins
Olive Oils
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv A four-way multivariate calibration approach, based on the combination of ultra-fast high-performance liquid chromatographic data and four-way algorithms, is described for the first time. To achieve this goal, several emission wavelength-elution time matrices (ETMs) were recorded as a function of the excitation wavelength. Each sample was injected into the chromatograph eight times, in sequential mode, each time exciting at a different wavelength across the excitation spectra of the compounds of interest, and the emission spectra were recorded along the full chromatogram using a fast scanning fluorescence detector. The data were obtained in a very short time with an ultrafast chromatographic system operating in gradient mode. The three-way ETM data thus obtained for the calibration sample set and for each of the test samples were joined into a single four-way array, which was subsequently analyzed with parallel factor analysis (PARAFAC), unfolded partial least-squares with residual trilinearization (U-PLS/RTL) and multi-way partial least-squares with residual trilinearization (N-PLS/RTL) multivariate calibration algorithms. Best results were found when either U-PLS/RTL or N-PLS/RTL algorithms were used to perform the multivariate calibration. The method was applied to the direct determination of chlorophylls a and b and pheophytins a and b in olive oil samples, in the presence of other interfering fluorescent compounds, and without previous sample treatment.
Fil: Lozano, Valeria Antonella. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Química Rosario; Argentina
Fil: Muñoz de la Peña, Arsenio. Universidad de Extremadura; España
Fil: Durán Merás, Isabel. Universidad de Extremadura; España
Fil: Espinosa Mansilla, Anunciación. Universidad de Extremadura; España
Fil: Escandar, Graciela Monica. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Química Rosario; Argentina
description A four-way multivariate calibration approach, based on the combination of ultra-fast high-performance liquid chromatographic data and four-way algorithms, is described for the first time. To achieve this goal, several emission wavelength-elution time matrices (ETMs) were recorded as a function of the excitation wavelength. Each sample was injected into the chromatograph eight times, in sequential mode, each time exciting at a different wavelength across the excitation spectra of the compounds of interest, and the emission spectra were recorded along the full chromatogram using a fast scanning fluorescence detector. The data were obtained in a very short time with an ultrafast chromatographic system operating in gradient mode. The three-way ETM data thus obtained for the calibration sample set and for each of the test samples were joined into a single four-way array, which was subsequently analyzed with parallel factor analysis (PARAFAC), unfolded partial least-squares with residual trilinearization (U-PLS/RTL) and multi-way partial least-squares with residual trilinearization (N-PLS/RTL) multivariate calibration algorithms. Best results were found when either U-PLS/RTL or N-PLS/RTL algorithms were used to perform the multivariate calibration. The method was applied to the direct determination of chlorophylls a and b and pheophytins a and b in olive oil samples, in the presence of other interfering fluorescent compounds, and without previous sample treatment.
publishDate 2013
dc.date.none.fl_str_mv 2013-06
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/11336/6027
Lozano, Valeria Antonella; Muñoz de la Peña, Arsenio; Durán Merás, Isabel; Espinosa Mansilla, Anunciación; Escandar, Graciela Monica; Four-way multivariate calibration using ultra-fast High-Performance Liquid Chromatography with Fluorescence Excitation-Emission detection. Application to the direct analysis of chlorophylls a and b and pheophytins a and b in olive oils; Elsevier; Chemometrics and Intelligent Laboratory Systems; 125; 6-2013; 121-131
0169-7439
url http://hdl.handle.net/11336/6027
identifier_str_mv Lozano, Valeria Antonella; Muñoz de la Peña, Arsenio; Durán Merás, Isabel; Espinosa Mansilla, Anunciación; Escandar, Graciela Monica; Four-way multivariate calibration using ultra-fast High-Performance Liquid Chromatography with Fluorescence Excitation-Emission detection. Application to the direct analysis of chlorophylls a and b and pheophytins a and b in olive oils; Elsevier; Chemometrics and Intelligent Laboratory Systems; 125; 6-2013; 121-131
0169-7439
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/S0169743913000622
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.chemolab.2013.04.005
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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score 13.265058

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