Third order chromatographic-excitation–emission fluorescence data: Advances, challenges and prospects in analytical applications

Autores
Montemurro, Milagros; Siano, Gabriel German; Alcaraz, Mirta Raquel; Goicoechea, Hector Casimiro
Año de publicación
2017
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Three analytical methodologies for the generation of third-order liquid chromatography–excitation–emission fluorescence matrix (LC–EEM) data are presented. Instrumental requirements were evaluated considering equipment complexity, costs and accessibility. A descriptive analysis of the generated data was done along trilinearity concept and chemometric resolution. For trilinear decomposition, PARallel FACtor Analysis (PARAFAC) model was utilized. Hence, possible effects that are caused in the resolution due to loss of trilinearity are detailed. Then, several data pre-processing and processing alternatives are proposed in order to successfully overcome the drawbacks that can be present in the chemometric resolution. Additionally, a reported analytical method for the determination of three analytes is presented to showcase the potential of the methodology to generate third-order LC–EEM data with quantitative aims. For data modelling, Augmented PARAFAC (APARAFAC) and Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) were used. Both algorithms demonstrated to be able to bear non-quadrilinear data in a multi-set analysis.
Fil: Montemurro, Milagros. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Siano, Gabriel German. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas; Argentina
Fil: Alcaraz, Mirta Raquel. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Goicoechea, Hector Casimiro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas; Argentina
Materia
Excitation–Emission Fluorescence Matrix
Liquid Chromatography
Multi-Way Analysis
Third-Order Data
Trilinear Decomposition
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/33646
Acceder
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network_acronym_str CONICETDig
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network_name_str CONICET Digital (CONICET)
spelling Third order chromatographic-excitation–emission fluorescence data: Advances, challenges and prospects in analytical applicationsMontemurro, MilagrosSiano, Gabriel GermanAlcaraz, Mirta RaquelGoicoechea, Hector CasimiroExcitation–Emission Fluorescence MatrixLiquid ChromatographyMulti-Way AnalysisThird-Order DataTrilinear Decompositionhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Three analytical methodologies for the generation of third-order liquid chromatography–excitation–emission fluorescence matrix (LC–EEM) data are presented. Instrumental requirements were evaluated considering equipment complexity, costs and accessibility. A descriptive analysis of the generated data was done along trilinearity concept and chemometric resolution. For trilinear decomposition, PARallel FACtor Analysis (PARAFAC) model was utilized. Hence, possible effects that are caused in the resolution due to loss of trilinearity are detailed. Then, several data pre-processing and processing alternatives are proposed in order to successfully overcome the drawbacks that can be present in the chemometric resolution. Additionally, a reported analytical method for the determination of three analytes is presented to showcase the potential of the methodology to generate third-order LC–EEM data with quantitative aims. For data modelling, Augmented PARAFAC (APARAFAC) and Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) were used. Both algorithms demonstrated to be able to bear non-quadrilinear data in a multi-set analysis.Fil: Montemurro, Milagros. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; ArgentinaFil: Siano, Gabriel German. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas; ArgentinaFil: Alcaraz, Mirta Raquel. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; ArgentinaFil: Goicoechea, Hector Casimiro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas; ArgentinaElsevier2017-08info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/33646Siano, Gabriel German; Montemurro, Milagros; Goicoechea, Hector Casimiro; Alcaraz, Mirta Raquel; Third order chromatographic-excitation–emission fluorescence data: Advances, challenges and prospects in analytical applications; Elsevier; Trac-Trends In Analytical Chemistry; 93; 8-2017; 119-1330165-9936CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.trac.2017.05.011info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:33:44Zoai:ri.conicet.gov.ar:11336/33646instacron: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:34982025-09-29 09:33:44.299CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Third order chromatographic-excitation–emission fluorescence data: Advances, challenges and prospects in analytical applications
title Third order chromatographic-excitation–emission fluorescence data: Advances, challenges and prospects in analytical applications
spellingShingle Third order chromatographic-excitation–emission fluorescence data: Advances, challenges and prospects in analytical applications
Montemurro, Milagros
Excitation–Emission Fluorescence Matrix
Liquid Chromatography
Multi-Way Analysis
Third-Order Data
Trilinear Decomposition
title_short Third order chromatographic-excitation–emission fluorescence data: Advances, challenges and prospects in analytical applications
title_full Third order chromatographic-excitation–emission fluorescence data: Advances, challenges and prospects in analytical applications
title_fullStr Third order chromatographic-excitation–emission fluorescence data: Advances, challenges and prospects in analytical applications
title_full_unstemmed Third order chromatographic-excitation–emission fluorescence data: Advances, challenges and prospects in analytical applications
title_sort Third order chromatographic-excitation–emission fluorescence data: Advances, challenges and prospects in analytical applications
dc.creator.none.fl_str_mv Montemurro, Milagros
Siano, Gabriel German
Alcaraz, Mirta Raquel
Goicoechea, Hector Casimiro
author Montemurro, Milagros
author_facet Montemurro, Milagros
Siano, Gabriel German
Alcaraz, Mirta Raquel
Goicoechea, Hector Casimiro
author_role author
author2 Siano, Gabriel German
Alcaraz, Mirta Raquel
Goicoechea, Hector Casimiro
author2_role author
author
author
dc.subject.none.fl_str_mv Excitation–Emission Fluorescence Matrix
Liquid Chromatography
Multi-Way Analysis
Third-Order Data
Trilinear Decomposition
topic Excitation–Emission Fluorescence Matrix
Liquid Chromatography
Multi-Way Analysis
Third-Order Data
Trilinear Decomposition
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Three analytical methodologies for the generation of third-order liquid chromatography–excitation–emission fluorescence matrix (LC–EEM) data are presented. Instrumental requirements were evaluated considering equipment complexity, costs and accessibility. A descriptive analysis of the generated data was done along trilinearity concept and chemometric resolution. For trilinear decomposition, PARallel FACtor Analysis (PARAFAC) model was utilized. Hence, possible effects that are caused in the resolution due to loss of trilinearity are detailed. Then, several data pre-processing and processing alternatives are proposed in order to successfully overcome the drawbacks that can be present in the chemometric resolution. Additionally, a reported analytical method for the determination of three analytes is presented to showcase the potential of the methodology to generate third-order LC–EEM data with quantitative aims. For data modelling, Augmented PARAFAC (APARAFAC) and Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) were used. Both algorithms demonstrated to be able to bear non-quadrilinear data in a multi-set analysis.
Fil: Montemurro, Milagros. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Siano, Gabriel German. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas; Argentina
Fil: Alcaraz, Mirta Raquel. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Goicoechea, Hector Casimiro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas; Argentina
description Three analytical methodologies for the generation of third-order liquid chromatography–excitation–emission fluorescence matrix (LC–EEM) data are presented. Instrumental requirements were evaluated considering equipment complexity, costs and accessibility. A descriptive analysis of the generated data was done along trilinearity concept and chemometric resolution. For trilinear decomposition, PARallel FACtor Analysis (PARAFAC) model was utilized. Hence, possible effects that are caused in the resolution due to loss of trilinearity are detailed. Then, several data pre-processing and processing alternatives are proposed in order to successfully overcome the drawbacks that can be present in the chemometric resolution. Additionally, a reported analytical method for the determination of three analytes is presented to showcase the potential of the methodology to generate third-order LC–EEM data with quantitative aims. For data modelling, Augmented PARAFAC (APARAFAC) and Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) were used. Both algorithms demonstrated to be able to bear non-quadrilinear data in a multi-set analysis.
publishDate 2017
dc.date.none.fl_str_mv 2017-08
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/11336/33646
Siano, Gabriel German; Montemurro, Milagros; Goicoechea, Hector Casimiro; Alcaraz, Mirta Raquel; Third order chromatographic-excitation–emission fluorescence data: Advances, challenges and prospects in analytical applications; Elsevier; Trac-Trends In Analytical Chemistry; 93; 8-2017; 119-133
0165-9936
CONICET Digital
CONICET
url http://hdl.handle.net/11336/33646
identifier_str_mv Siano, Gabriel German; Montemurro, Milagros; Goicoechea, Hector Casimiro; Alcaraz, Mirta Raquel; Third order chromatographic-excitation–emission fluorescence data: Advances, challenges and prospects in analytical applications; Elsevier; Trac-Trends In Analytical Chemistry; 93; 8-2017; 119-133
0165-9936
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.trac.2017.05.011
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/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 13.070432

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