A sensitivity equation for quantitative analysis with multivariate curve resolution-alternating least-squares: Theoretical and experimental approach

Autores
Bauza, María C.; Ibañez, Gabriela Alejandra; Tauler, Romà; Olivieri, Alejandro Cesar
Año de publicación
2012
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
A new equation is derived for estimating thesensitivity when the multivariate curve resolution-alternating leastsquares (MCR-ALS) method is applied to second-order multivariatecalibration data. The validity of the expression issubstantiated by extensive Monte Carlo noise addition simulations.The multivariate selectivity can be derived from the new sensitivityexpression. Other important figures of merit, such as limit ofdetection, limit of quantitation, and concentration uncertainty ofMCR-ALS quantitative estimations can be easily estimated fromthe proposed sensitivity expression and the instrumental noise. An experimental example involving the determination of ananalyte in the presence of uncalibrated interfering agents is described in detail, involving second-order time-decaying sensitizedlanthanide luminescence excitation spectra. The estimated figures of merit are reasonably correlated with the analytical features ofthe analyzed experimental system.
Fil: Bauza, María C.. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Analítica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina
Fil: Ibañez, Gabriela Alejandra. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Analítica; Argentina
Fil: Tauler, Romà. Institut de Diagnosi Ambiental i Estudis de l’Aigua; España. Consejo Superior de Investigaciones Científicas; España
Fil: Olivieri, Alejandro Cesar. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Analítica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina
Materia
MCR-ALS
SENSITIVITY
SELECTIVITY
LIMIT OF DETECTION
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:11336/105018
Acceder
id CONICETDig_ba2ead57ffeff5d5b8a4e8b3081b13cf
oai_identifier_str oai:ri.conicet.gov.ar:11336/105018
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling A sensitivity equation for quantitative analysis with multivariate curve resolution-alternating least-squares: Theoretical and experimental approachBauza, María C.Ibañez, Gabriela AlejandraTauler, RomàOlivieri, Alejandro CesarMCR-ALSSENSITIVITYSELECTIVITYLIMIT OF DETECTIONhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1A new equation is derived for estimating thesensitivity when the multivariate curve resolution-alternating leastsquares (MCR-ALS) method is applied to second-order multivariatecalibration data. The validity of the expression issubstantiated by extensive Monte Carlo noise addition simulations.The multivariate selectivity can be derived from the new sensitivityexpression. Other important figures of merit, such as limit ofdetection, limit of quantitation, and concentration uncertainty ofMCR-ALS quantitative estimations can be easily estimated fromthe proposed sensitivity expression and the instrumental noise. An experimental example involving the determination of ananalyte in the presence of uncalibrated interfering agents is described in detail, involving second-order time-decaying sensitizedlanthanide luminescence excitation spectra. The estimated figures of merit are reasonably correlated with the analytical features ofthe analyzed experimental system.Fil: Bauza, María C.. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Analítica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; ArgentinaFil: Ibañez, Gabriela Alejandra. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Analítica; ArgentinaFil: Tauler, Romà. Institut de Diagnosi Ambiental i Estudis de l’Aigua; España. Consejo Superior de Investigaciones Científicas; EspañaFil: Olivieri, Alejandro Cesar. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Analítica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; ArgentinaAmerican Chemical Society2012-09-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/105018Bauza, María C.; Ibañez, Gabriela Alejandra; Tauler, Romà; Olivieri, Alejandro Cesar; A sensitivity equation for quantitative analysis with multivariate curve resolution-alternating least-squares: Theoretical and experimental approach; American Chemical Society; Analytical Chemistry; 84; 11-9-2012; 8697-87060003-27001520-6882CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/ac3019284info:eu-repo/semantics/altIdentifier/doi/10.1021/ac3019284info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T10:09:10Zoai:ri.conicet.gov.ar:11336/105018instacron: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 10:09:11.058CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv A sensitivity equation for quantitative analysis with multivariate curve resolution-alternating least-squares: Theoretical and experimental approach
title A sensitivity equation for quantitative analysis with multivariate curve resolution-alternating least-squares: Theoretical and experimental approach
spellingShingle A sensitivity equation for quantitative analysis with multivariate curve resolution-alternating least-squares: Theoretical and experimental approach
Bauza, María C.
MCR-ALS
SENSITIVITY
SELECTIVITY
LIMIT OF DETECTION
title_short A sensitivity equation for quantitative analysis with multivariate curve resolution-alternating least-squares: Theoretical and experimental approach
title_full A sensitivity equation for quantitative analysis with multivariate curve resolution-alternating least-squares: Theoretical and experimental approach
title_fullStr A sensitivity equation for quantitative analysis with multivariate curve resolution-alternating least-squares: Theoretical and experimental approach
title_full_unstemmed A sensitivity equation for quantitative analysis with multivariate curve resolution-alternating least-squares: Theoretical and experimental approach
title_sort A sensitivity equation for quantitative analysis with multivariate curve resolution-alternating least-squares: Theoretical and experimental approach
dc.creator.none.fl_str_mv Bauza, María C.
Ibañez, Gabriela Alejandra
Tauler, Romà
Olivieri, Alejandro Cesar
author Bauza, María C.
author_facet Bauza, María C.
Ibañez, Gabriela Alejandra
Tauler, Romà
Olivieri, Alejandro Cesar
author_role author
author2 Ibañez, Gabriela Alejandra
Tauler, Romà
Olivieri, Alejandro Cesar
author2_role author
author
author
dc.subject.none.fl_str_mv MCR-ALS
SENSITIVITY
SELECTIVITY
LIMIT OF DETECTION
topic MCR-ALS
SENSITIVITY
SELECTIVITY
LIMIT OF DETECTION
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 new equation is derived for estimating thesensitivity when the multivariate curve resolution-alternating leastsquares (MCR-ALS) method is applied to second-order multivariatecalibration data. The validity of the expression issubstantiated by extensive Monte Carlo noise addition simulations.The multivariate selectivity can be derived from the new sensitivityexpression. Other important figures of merit, such as limit ofdetection, limit of quantitation, and concentration uncertainty ofMCR-ALS quantitative estimations can be easily estimated fromthe proposed sensitivity expression and the instrumental noise. An experimental example involving the determination of ananalyte in the presence of uncalibrated interfering agents is described in detail, involving second-order time-decaying sensitizedlanthanide luminescence excitation spectra. The estimated figures of merit are reasonably correlated with the analytical features ofthe analyzed experimental system.
Fil: Bauza, María C.. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Analítica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina
Fil: Ibañez, Gabriela Alejandra. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Analítica; Argentina
Fil: Tauler, Romà. Institut de Diagnosi Ambiental i Estudis de l’Aigua; España. Consejo Superior de Investigaciones Científicas; España
Fil: Olivieri, Alejandro Cesar. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Analítica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina
description A new equation is derived for estimating thesensitivity when the multivariate curve resolution-alternating leastsquares (MCR-ALS) method is applied to second-order multivariatecalibration data. The validity of the expression issubstantiated by extensive Monte Carlo noise addition simulations.The multivariate selectivity can be derived from the new sensitivityexpression. Other important figures of merit, such as limit ofdetection, limit of quantitation, and concentration uncertainty ofMCR-ALS quantitative estimations can be easily estimated fromthe proposed sensitivity expression and the instrumental noise. An experimental example involving the determination of ananalyte in the presence of uncalibrated interfering agents is described in detail, involving second-order time-decaying sensitizedlanthanide luminescence excitation spectra. The estimated figures of merit are reasonably correlated with the analytical features ofthe analyzed experimental system.
publishDate 2012
dc.date.none.fl_str_mv 2012-09-11
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/11336/105018
Bauza, María C.; Ibañez, Gabriela Alejandra; Tauler, Romà; Olivieri, Alejandro Cesar; A sensitivity equation for quantitative analysis with multivariate curve resolution-alternating least-squares: Theoretical and experimental approach; American Chemical Society; Analytical Chemistry; 84; 11-9-2012; 8697-8706
0003-2700
1520-6882
CONICET Digital
CONICET
url http://hdl.handle.net/11336/105018
identifier_str_mv Bauza, María C.; Ibañez, Gabriela Alejandra; Tauler, Romà; Olivieri, Alejandro Cesar; A sensitivity equation for quantitative analysis with multivariate curve resolution-alternating least-squares: Theoretical and experimental approach; American Chemical Society; Analytical Chemistry; 84; 11-9-2012; 8697-8706
0003-2700
1520-6882
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/ac3019284
info:eu-repo/semantics/altIdentifier/doi/10.1021/ac3019284
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
application/pdf
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
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
_version_ 1842270072210456576
score 13.13397

Publicaciones similares