Second-order advantage achieved by modeling excitation-emission fluorescence matrices affected by inner filter effects using a strategy which combines standardization and calibrati...

Autores
Schenone, Agustina Violeta; Culzoni, Maria Julia; Martinez Galera, María; Goicoechea, Hector Casimiro
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
A methodology based on second-order data (excitation-emission matrices) modeling with one of most popular algorithms presenting the second-order advantage, parallel factor analysis (PARAFAC), combined with transference of calibration is proposed to predict the analyte concentration when significant inner filter effects occur, even in the presence of unexpected sample components. The quantitation of phenylephrine hydrochloride (PHE) in water samples (concentrations ranged between 250 and 750 ng mL-1) in the presence of ibuprofen, acetyl salicylic acid and paracetamol (which produce inner filter effect across the useful wavelength range) was achieved. The strategy allows reducing the experimental work and increasing the analytical sensitivity in the determination of the analyte of interest in the presence of unexpected compounds and matrix effect caused by inner filter, avoiding the preparation of a large number of solutions and maintaining acceptable figures of merit. Recoveries between 97 and 102% for validation and real spiked water samples, respectively, and a relative prediction error of 5% were achieved. Results were compared with those obtained after the application of the classical standard addition method combined with PARAFAC, carrying out five additions to each sample, in triplicate. The presented methodology constitutes a simple and low-cost method for the determination of PHE in water samples with a considerable reduction in standard handling and time. This methodology can be extended to other systems presenting matrix effect and, consequently, can be come in a useful tool to know the amount of pharmaceuticals in the aquatic environment and to evaluate the effect of conventional wastewater treatment plants in the elimination of pharmaceutical compounds.
Fil: Schenone, Agustina Violeta. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Santa Fe; Argentina
Fil: Culzoni, Maria Julia. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas; Argentina
Fil: Martinez Galera, María. Universidad de Almería. Facultad de Ciencias Experimentales. Departamento de Química y Física; España
Fil: Goicoechea, Hector Casimiro. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas; Argentina
Materia
Parafac
Eem
Pds
Matrix Effect
Standard Addition Method
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:11336/6406
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/6406
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Second-order advantage achieved by modeling excitation-emission fluorescence matrices affected by inner filter effects using a strategy which combines standardization and calibration: Reducing experimental and increasing analytical sensitivitySchenone, Agustina VioletaCulzoni, Maria JuliaMartinez Galera, MaríaGoicoechea, Hector CasimiroParafacEemPdsMatrix EffectStandard Addition Methodhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1A methodology based on second-order data (excitation-emission matrices) modeling with one of most popular algorithms presenting the second-order advantage, parallel factor analysis (PARAFAC), combined with transference of calibration is proposed to predict the analyte concentration when significant inner filter effects occur, even in the presence of unexpected sample components. The quantitation of phenylephrine hydrochloride (PHE) in water samples (concentrations ranged between 250 and 750 ng mL-1) in the presence of ibuprofen, acetyl salicylic acid and paracetamol (which produce inner filter effect across the useful wavelength range) was achieved. The strategy allows reducing the experimental work and increasing the analytical sensitivity in the determination of the analyte of interest in the presence of unexpected compounds and matrix effect caused by inner filter, avoiding the preparation of a large number of solutions and maintaining acceptable figures of merit. Recoveries between 97 and 102% for validation and real spiked water samples, respectively, and a relative prediction error of 5% were achieved. Results were compared with those obtained after the application of the classical standard addition method combined with PARAFAC, carrying out five additions to each sample, in triplicate. The presented methodology constitutes a simple and low-cost method for the determination of PHE in water samples with a considerable reduction in standard handling and time. This methodology can be extended to other systems presenting matrix effect and, consequently, can be come in a useful tool to know the amount of pharmaceuticals in the aquatic environment and to evaluate the effect of conventional wastewater treatment plants in the elimination of pharmaceutical compounds.Fil: Schenone, Agustina Violeta. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Santa Fe; ArgentinaFil: Culzoni, Maria Julia. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas; ArgentinaFil: Martinez Galera, María. Universidad de Almería. Facultad de Ciencias Experimentales. Departamento de Química y Física; EspañaFil: Goicoechea, Hector Casimiro. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas; ArgentinaElsevier2013-05info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/6406Schenone, Agustina Violeta; Culzoni, Maria Julia; Martinez Galera, María; Goicoechea, Hector Casimiro; Second-order advantage achieved by modeling excitation-emission fluorescence matrices affected by inner filter effects using a strategy which combines standardization and calibration: Reducing experimental and increasing analytical sensitivity; Elsevier; Talanta; 109; 5-2013; 107-1150039-9140enginfo:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0039914013000738info:eu-repo/semantics/altIdentifier/doi/10.1016/j.talanta.2013.01.063info: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 Técnicas2025-09-29T09:32:21Zoai:ri.conicet.gov.ar:11336/6406instacron: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 09:32:22.256CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Second-order advantage achieved by modeling excitation-emission fluorescence matrices affected by inner filter effects using a strategy which combines standardization and calibration: Reducing experimental and increasing analytical sensitivity
title Second-order advantage achieved by modeling excitation-emission fluorescence matrices affected by inner filter effects using a strategy which combines standardization and calibration: Reducing experimental and increasing analytical sensitivity
spellingShingle Second-order advantage achieved by modeling excitation-emission fluorescence matrices affected by inner filter effects using a strategy which combines standardization and calibration: Reducing experimental and increasing analytical sensitivity
Schenone, Agustina Violeta
Parafac
Eem
Pds
Matrix Effect
Standard Addition Method
title_short Second-order advantage achieved by modeling excitation-emission fluorescence matrices affected by inner filter effects using a strategy which combines standardization and calibration: Reducing experimental and increasing analytical sensitivity
title_full Second-order advantage achieved by modeling excitation-emission fluorescence matrices affected by inner filter effects using a strategy which combines standardization and calibration: Reducing experimental and increasing analytical sensitivity
title_fullStr Second-order advantage achieved by modeling excitation-emission fluorescence matrices affected by inner filter effects using a strategy which combines standardization and calibration: Reducing experimental and increasing analytical sensitivity
title_full_unstemmed Second-order advantage achieved by modeling excitation-emission fluorescence matrices affected by inner filter effects using a strategy which combines standardization and calibration: Reducing experimental and increasing analytical sensitivity
title_sort Second-order advantage achieved by modeling excitation-emission fluorescence matrices affected by inner filter effects using a strategy which combines standardization and calibration: Reducing experimental and increasing analytical sensitivity
dc.creator.none.fl_str_mv Schenone, Agustina Violeta
Culzoni, Maria Julia
Martinez Galera, María
Goicoechea, Hector Casimiro
author Schenone, Agustina Violeta
author_facet Schenone, Agustina Violeta
Culzoni, Maria Julia
Martinez Galera, María
Goicoechea, Hector Casimiro
author_role author
author2 Culzoni, Maria Julia
Martinez Galera, María
Goicoechea, Hector Casimiro
author2_role author
author
author
dc.subject.none.fl_str_mv Parafac
Eem
Pds
Matrix Effect
Standard Addition Method
topic Parafac
Eem
Pds
Matrix Effect
Standard Addition Method
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 methodology based on second-order data (excitation-emission matrices) modeling with one of most popular algorithms presenting the second-order advantage, parallel factor analysis (PARAFAC), combined with transference of calibration is proposed to predict the analyte concentration when significant inner filter effects occur, even in the presence of unexpected sample components. The quantitation of phenylephrine hydrochloride (PHE) in water samples (concentrations ranged between 250 and 750 ng mL-1) in the presence of ibuprofen, acetyl salicylic acid and paracetamol (which produce inner filter effect across the useful wavelength range) was achieved. The strategy allows reducing the experimental work and increasing the analytical sensitivity in the determination of the analyte of interest in the presence of unexpected compounds and matrix effect caused by inner filter, avoiding the preparation of a large number of solutions and maintaining acceptable figures of merit. Recoveries between 97 and 102% for validation and real spiked water samples, respectively, and a relative prediction error of 5% were achieved. Results were compared with those obtained after the application of the classical standard addition method combined with PARAFAC, carrying out five additions to each sample, in triplicate. The presented methodology constitutes a simple and low-cost method for the determination of PHE in water samples with a considerable reduction in standard handling and time. This methodology can be extended to other systems presenting matrix effect and, consequently, can be come in a useful tool to know the amount of pharmaceuticals in the aquatic environment and to evaluate the effect of conventional wastewater treatment plants in the elimination of pharmaceutical compounds.
Fil: Schenone, Agustina Violeta. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Santa Fe; Argentina
Fil: Culzoni, Maria Julia. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas; Argentina
Fil: Martinez Galera, María. Universidad de Almería. Facultad de Ciencias Experimentales. Departamento de Química y Física; España
Fil: Goicoechea, Hector Casimiro. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas; Argentina
description A methodology based on second-order data (excitation-emission matrices) modeling with one of most popular algorithms presenting the second-order advantage, parallel factor analysis (PARAFAC), combined with transference of calibration is proposed to predict the analyte concentration when significant inner filter effects occur, even in the presence of unexpected sample components. The quantitation of phenylephrine hydrochloride (PHE) in water samples (concentrations ranged between 250 and 750 ng mL-1) in the presence of ibuprofen, acetyl salicylic acid and paracetamol (which produce inner filter effect across the useful wavelength range) was achieved. The strategy allows reducing the experimental work and increasing the analytical sensitivity in the determination of the analyte of interest in the presence of unexpected compounds and matrix effect caused by inner filter, avoiding the preparation of a large number of solutions and maintaining acceptable figures of merit. Recoveries between 97 and 102% for validation and real spiked water samples, respectively, and a relative prediction error of 5% were achieved. Results were compared with those obtained after the application of the classical standard addition method combined with PARAFAC, carrying out five additions to each sample, in triplicate. The presented methodology constitutes a simple and low-cost method for the determination of PHE in water samples with a considerable reduction in standard handling and time. This methodology can be extended to other systems presenting matrix effect and, consequently, can be come in a useful tool to know the amount of pharmaceuticals in the aquatic environment and to evaluate the effect of conventional wastewater treatment plants in the elimination of pharmaceutical compounds.
publishDate 2013
dc.date.none.fl_str_mv 2013-05
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/11336/6406
Schenone, Agustina Violeta; Culzoni, Maria Julia; Martinez Galera, María; Goicoechea, Hector Casimiro; Second-order advantage achieved by modeling excitation-emission fluorescence matrices affected by inner filter effects using a strategy which combines standardization and calibration: Reducing experimental and increasing analytical sensitivity; Elsevier; Talanta; 109; 5-2013; 107-115
0039-9140
url http://hdl.handle.net/11336/6406
identifier_str_mv Schenone, Agustina Violeta; Culzoni, Maria Julia; Martinez Galera, María; Goicoechea, Hector Casimiro; Second-order advantage achieved by modeling excitation-emission fluorescence matrices affected by inner filter effects using a strategy which combines standardization and calibration: Reducing experimental and increasing analytical sensitivity; Elsevier; Talanta; 109; 5-2013; 107-115
0039-9140
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/S0039914013000738
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.talanta.2013.01.063
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 13.070432

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