Comparison of the predictive ability of several second-order multivariate methods in the simultaneous determination of two therapeutic drugs in human urine

Autores
Hurtado Sánchez, M. C.; Durán Merás, I.; Rodríguez Cáceres, M. I.; Jiménez Girón, A.; Olivieri, Alejandro Cesar
Año de publicación
2012
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The aim of this paper is to study the applicability of second-order multivariate methods in the simultaneous determination of two therapeutic drugs in human urine samples. The studied drugs, irinotecan and thalidomide, are used in the treatment of malignant tumours. Irinotecan (CPT-11) is used to treat colon cancer; recent studies have shown the benefits of using thalidomide in combination with CPT-11 in the treatment of this disease. CPT-11 is highly fluorescent, but the native fluorescence of thalidomide is very weak. The second-order methods assayed were parallel factor analysis (PARAFAC), unfolded partial least-squares (U-PLS) and multidimensional partial least-squares (N-PLS), both combined with the residual bilinearization procedure (RBL). The excitation-emission matrices (EEMs) of the samples were recorded as analytical signal. The accuracy and precision of the algorithms were evaluated through the root mean square error of prediction (RMSEP) and the elliptical joint confidence region test (EJCR), obtaining better results with PARAFAC, which was successfully applied to the determination of thalidomide and CPT-11 in human urine samples, after a previous liquid-liquid extraction with chloroform.
Fil: Hurtado Sánchez, M. C.. Universidad de Extremadura; España
Fil: Durán Merás, I.. Universidad de Extremadura; España
Fil: Rodríguez Cáceres, M. I.. Universidad de Extremadura; España
Fil: Jiménez Girón, A.. Universidad de Extremadura; España
Fil: Olivieri, Alejandro Cesar. 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
CTP-11
N-PLS/RBL
PARAFAC
SECOND-ORDER MULTIVARIATE CALIBRATION
THALIDOMIDE
U-PLS/RBL
URINE
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:11336/122669
Acceder
id CONICETDig_372fb54ebdf1c9b0e233c4f03b3730b7
oai_identifier_str oai:ri.conicet.gov.ar:11336/122669
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Comparison of the predictive ability of several second-order multivariate methods in the simultaneous determination of two therapeutic drugs in human urineHurtado Sánchez, M. C.Durán Merás, I.Rodríguez Cáceres, M. I.Jiménez Girón, A.Olivieri, Alejandro CesarCTP-11N-PLS/RBLPARAFACSECOND-ORDER MULTIVARIATE CALIBRATIONTHALIDOMIDEU-PLS/RBLURINEhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The aim of this paper is to study the applicability of second-order multivariate methods in the simultaneous determination of two therapeutic drugs in human urine samples. The studied drugs, irinotecan and thalidomide, are used in the treatment of malignant tumours. Irinotecan (CPT-11) is used to treat colon cancer; recent studies have shown the benefits of using thalidomide in combination with CPT-11 in the treatment of this disease. CPT-11 is highly fluorescent, but the native fluorescence of thalidomide is very weak. The second-order methods assayed were parallel factor analysis (PARAFAC), unfolded partial least-squares (U-PLS) and multidimensional partial least-squares (N-PLS), both combined with the residual bilinearization procedure (RBL). The excitation-emission matrices (EEMs) of the samples were recorded as analytical signal. The accuracy and precision of the algorithms were evaluated through the root mean square error of prediction (RMSEP) and the elliptical joint confidence region test (EJCR), obtaining better results with PARAFAC, which was successfully applied to the determination of thalidomide and CPT-11 in human urine samples, after a previous liquid-liquid extraction with chloroform.Fil: Hurtado Sánchez, M. C.. Universidad de Extremadura; EspañaFil: Durán Merás, I.. Universidad de Extremadura; EspañaFil: Rodríguez Cáceres, M. I.. Universidad de Extremadura; EspañaFil: Jiménez Girón, A.. Universidad de Extremadura; EspañaFil: Olivieri, Alejandro Cesar. 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; ArgentinaElsevier Science2012-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/122669Hurtado Sánchez, M. C.; Durán Merás, I.; Rodríguez Cáceres, M. I.; Jiménez Girón, A.; Olivieri, Alejandro Cesar; Comparison of the predictive ability of several second-order multivariate methods in the simultaneous determination of two therapeutic drugs in human urine; Elsevier Science; Talanta; 88; 1-2012; 609-6160039-9140CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S0039914011010277info:eu-repo/semantics/altIdentifier/doi/10.1016/j.talanta.2011.11.045info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T10:05:29Zoai:ri.conicet.gov.ar:11336/122669instacron: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 10:05:29.437CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Comparison of the predictive ability of several second-order multivariate methods in the simultaneous determination of two therapeutic drugs in human urine
title Comparison of the predictive ability of several second-order multivariate methods in the simultaneous determination of two therapeutic drugs in human urine
spellingShingle Comparison of the predictive ability of several second-order multivariate methods in the simultaneous determination of two therapeutic drugs in human urine
Hurtado Sánchez, M. C.
CTP-11
N-PLS/RBL
PARAFAC
SECOND-ORDER MULTIVARIATE CALIBRATION
THALIDOMIDE
U-PLS/RBL
URINE
title_short Comparison of the predictive ability of several second-order multivariate methods in the simultaneous determination of two therapeutic drugs in human urine
title_full Comparison of the predictive ability of several second-order multivariate methods in the simultaneous determination of two therapeutic drugs in human urine
title_fullStr Comparison of the predictive ability of several second-order multivariate methods in the simultaneous determination of two therapeutic drugs in human urine
title_full_unstemmed Comparison of the predictive ability of several second-order multivariate methods in the simultaneous determination of two therapeutic drugs in human urine
title_sort Comparison of the predictive ability of several second-order multivariate methods in the simultaneous determination of two therapeutic drugs in human urine
dc.creator.none.fl_str_mv Hurtado Sánchez, M. C.
Durán Merás, I.
Rodríguez Cáceres, M. I.
Jiménez Girón, A.
Olivieri, Alejandro Cesar
author Hurtado Sánchez, M. C.
author_facet Hurtado Sánchez, M. C.
Durán Merás, I.
Rodríguez Cáceres, M. I.
Jiménez Girón, A.
Olivieri, Alejandro Cesar
author_role author
author2 Durán Merás, I.
Rodríguez Cáceres, M. I.
Jiménez Girón, A.
Olivieri, Alejandro Cesar
author2_role author
author
author
author
dc.subject.none.fl_str_mv CTP-11
N-PLS/RBL
PARAFAC
SECOND-ORDER MULTIVARIATE CALIBRATION
THALIDOMIDE
U-PLS/RBL
URINE
topic CTP-11
N-PLS/RBL
PARAFAC
SECOND-ORDER MULTIVARIATE CALIBRATION
THALIDOMIDE
U-PLS/RBL
URINE
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The aim of this paper is to study the applicability of second-order multivariate methods in the simultaneous determination of two therapeutic drugs in human urine samples. The studied drugs, irinotecan and thalidomide, are used in the treatment of malignant tumours. Irinotecan (CPT-11) is used to treat colon cancer; recent studies have shown the benefits of using thalidomide in combination with CPT-11 in the treatment of this disease. CPT-11 is highly fluorescent, but the native fluorescence of thalidomide is very weak. The second-order methods assayed were parallel factor analysis (PARAFAC), unfolded partial least-squares (U-PLS) and multidimensional partial least-squares (N-PLS), both combined with the residual bilinearization procedure (RBL). The excitation-emission matrices (EEMs) of the samples were recorded as analytical signal. The accuracy and precision of the algorithms were evaluated through the root mean square error of prediction (RMSEP) and the elliptical joint confidence region test (EJCR), obtaining better results with PARAFAC, which was successfully applied to the determination of thalidomide and CPT-11 in human urine samples, after a previous liquid-liquid extraction with chloroform.
Fil: Hurtado Sánchez, M. C.. Universidad de Extremadura; España
Fil: Durán Merás, I.. Universidad de Extremadura; España
Fil: Rodríguez Cáceres, M. I.. Universidad de Extremadura; España
Fil: Jiménez Girón, A.. Universidad de Extremadura; España
Fil: Olivieri, Alejandro Cesar. 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 The aim of this paper is to study the applicability of second-order multivariate methods in the simultaneous determination of two therapeutic drugs in human urine samples. The studied drugs, irinotecan and thalidomide, are used in the treatment of malignant tumours. Irinotecan (CPT-11) is used to treat colon cancer; recent studies have shown the benefits of using thalidomide in combination with CPT-11 in the treatment of this disease. CPT-11 is highly fluorescent, but the native fluorescence of thalidomide is very weak. The second-order methods assayed were parallel factor analysis (PARAFAC), unfolded partial least-squares (U-PLS) and multidimensional partial least-squares (N-PLS), both combined with the residual bilinearization procedure (RBL). The excitation-emission matrices (EEMs) of the samples were recorded as analytical signal. The accuracy and precision of the algorithms were evaluated through the root mean square error of prediction (RMSEP) and the elliptical joint confidence region test (EJCR), obtaining better results with PARAFAC, which was successfully applied to the determination of thalidomide and CPT-11 in human urine samples, after a previous liquid-liquid extraction with chloroform.
publishDate 2012
dc.date.none.fl_str_mv 2012-01
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/11336/122669
Hurtado Sánchez, M. C.; Durán Merás, I.; Rodríguez Cáceres, M. I.; Jiménez Girón, A.; Olivieri, Alejandro Cesar; Comparison of the predictive ability of several second-order multivariate methods in the simultaneous determination of two therapeutic drugs in human urine; Elsevier Science; Talanta; 88; 1-2012; 609-616
0039-9140
CONICET Digital
CONICET
url http://hdl.handle.net/11336/122669
identifier_str_mv Hurtado Sánchez, M. C.; Durán Merás, I.; Rodríguez Cáceres, M. I.; Jiménez Girón, A.; Olivieri, Alejandro Cesar; Comparison of the predictive ability of several second-order multivariate methods in the simultaneous determination of two therapeutic drugs in human urine; Elsevier Science; Talanta; 88; 1-2012; 609-616
0039-9140
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://www.sciencedirect.com/science/article/abs/pii/S0039914011010277
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.talanta.2011.11.045
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 Science
publisher.none.fl_str_mv Elsevier Science
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_ 1842269912789155840
score 12.885934

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