Non-trilinear chromatographic time retention-fluorescence emission data coupled to chemometric algorithms for the simultaneous determination of 10 polycyclic aromatic hydrocarbons...

Autores
Bortolato, Santiago Andres; Arancibia, Juan Alberto; Escandar, Graciela Monica
Año de publicación
2009
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Multivariate calibration coupled to high-performance liquid chromatography-fast scanning fluorescence spectroscopy (HPLC-FSFS) was employed for the analysis of 10 selected polycyclic aromatic hydrocarbons (PAHs), six of which correspond to heavy PAHs. The goal of the present study was the successful resolution of a system even in the presence of real interferences. Second-order HPLC-FSFS data matrices were obtained in a short time with a chromatographic system operating in isocratic mode. The difficulties in aligning chromatographic bands in complex systems, such as the ones presented here, are discussed. Two second-order calibration algorithms which do not require chromatographic alignment were selected for data processing, namely, multivariate curve resolution-alternating least-squares (MCR-ALS) and parallel factor analysis 2 (PARAFAC2). These algorithms did also achieve the second-order advantage, and therefore they were able to overcome the problem of the presence of unexpected interferences. The study was employed for the discussion of the scopes of the applied second-order chemometric tools, demonstrating the superiority of MCRALS to successfully resolve this complex system. The quality of the proposed techniques was assessed on the basis of the analytical recoveries from different types of water and olive oil samples after solid-phase extraction. The studied concentration ranges in water samples were 5.6 × 10-3-0.20 ng mL-1 for heavy PAHs and 0.036-0.80 ng mL-1 for light PAHs, while in oil samples the PAHs concentrations were 0.13-9.6 and 2.3-49.5 ng mL-1 for heavy and light PAHS, respectively. All real samples were analyzed in the presence of the studied interferences.
Fil: Bortolato, Santiago Andres. 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: Arancibia, Juan Alberto. 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: Escandar, Graciela Monica. 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
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CHEMOMETRY
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spelling Non-trilinear chromatographic time retention-fluorescence emission data coupled to chemometric algorithms for the simultaneous determination of 10 polycyclic aromatic hydrocarbons in the presence of interferencesBortolato, Santiago AndresArancibia, Juan AlbertoEscandar, Graciela MonicaCHROMATOGRAPHYFLUORESCENCECHEMOMETRYHYDROCARBONShttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Multivariate calibration coupled to high-performance liquid chromatography-fast scanning fluorescence spectroscopy (HPLC-FSFS) was employed for the analysis of 10 selected polycyclic aromatic hydrocarbons (PAHs), six of which correspond to heavy PAHs. The goal of the present study was the successful resolution of a system even in the presence of real interferences. Second-order HPLC-FSFS data matrices were obtained in a short time with a chromatographic system operating in isocratic mode. The difficulties in aligning chromatographic bands in complex systems, such as the ones presented here, are discussed. Two second-order calibration algorithms which do not require chromatographic alignment were selected for data processing, namely, multivariate curve resolution-alternating least-squares (MCR-ALS) and parallel factor analysis 2 (PARAFAC2). These algorithms did also achieve the second-order advantage, and therefore they were able to overcome the problem of the presence of unexpected interferences. The study was employed for the discussion of the scopes of the applied second-order chemometric tools, demonstrating the superiority of MCRALS to successfully resolve this complex system. The quality of the proposed techniques was assessed on the basis of the analytical recoveries from different types of water and olive oil samples after solid-phase extraction. The studied concentration ranges in water samples were 5.6 × 10-3-0.20 ng mL-1 for heavy PAHs and 0.036-0.80 ng mL-1 for light PAHs, while in oil samples the PAHs concentrations were 0.13-9.6 and 2.3-49.5 ng mL-1 for heavy and light PAHS, respectively. All real samples were analyzed in the presence of the studied interferences.Fil: Bortolato, Santiago Andres. 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: Arancibia, Juan Alberto. 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: Escandar, Graciela Monica. 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 Society2009-10info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/133265Bortolato, Santiago Andres; Arancibia, Juan Alberto; Escandar, Graciela Monica; Non-trilinear chromatographic time retention-fluorescence emission data coupled to chemometric algorithms for the simultaneous determination of 10 polycyclic aromatic hydrocarbons in the presence of interferences; American Chemical Society; Analytical Chemistry; 81; 19; 10-2009; 8074-80842156-82780003-2700CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1021/ac901272binfo:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/ac901272b#info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:36:49Zoai:ri.conicet.gov.ar:11336/133265instacron: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:34982025-10-22 11:36:50.24CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Non-trilinear chromatographic time retention-fluorescence emission data coupled to chemometric algorithms for the simultaneous determination of 10 polycyclic aromatic hydrocarbons in the presence of interferences
title Non-trilinear chromatographic time retention-fluorescence emission data coupled to chemometric algorithms for the simultaneous determination of 10 polycyclic aromatic hydrocarbons in the presence of interferences
spellingShingle Non-trilinear chromatographic time retention-fluorescence emission data coupled to chemometric algorithms for the simultaneous determination of 10 polycyclic aromatic hydrocarbons in the presence of interferences
Bortolato, Santiago Andres
CHROMATOGRAPHY
FLUORESCENCE
CHEMOMETRY
HYDROCARBONS
title_short Non-trilinear chromatographic time retention-fluorescence emission data coupled to chemometric algorithms for the simultaneous determination of 10 polycyclic aromatic hydrocarbons in the presence of interferences
title_full Non-trilinear chromatographic time retention-fluorescence emission data coupled to chemometric algorithms for the simultaneous determination of 10 polycyclic aromatic hydrocarbons in the presence of interferences
title_fullStr Non-trilinear chromatographic time retention-fluorescence emission data coupled to chemometric algorithms for the simultaneous determination of 10 polycyclic aromatic hydrocarbons in the presence of interferences
title_full_unstemmed Non-trilinear chromatographic time retention-fluorescence emission data coupled to chemometric algorithms for the simultaneous determination of 10 polycyclic aromatic hydrocarbons in the presence of interferences
title_sort Non-trilinear chromatographic time retention-fluorescence emission data coupled to chemometric algorithms for the simultaneous determination of 10 polycyclic aromatic hydrocarbons in the presence of interferences
dc.creator.none.fl_str_mv Bortolato, Santiago Andres
Arancibia, Juan Alberto
Escandar, Graciela Monica
author Bortolato, Santiago Andres
author_facet Bortolato, Santiago Andres
Arancibia, Juan Alberto
Escandar, Graciela Monica
author_role author
author2 Arancibia, Juan Alberto
Escandar, Graciela Monica
author2_role author
author
dc.subject.none.fl_str_mv CHROMATOGRAPHY
FLUORESCENCE
CHEMOMETRY
HYDROCARBONS
topic CHROMATOGRAPHY
FLUORESCENCE
CHEMOMETRY
HYDROCARBONS
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Multivariate calibration coupled to high-performance liquid chromatography-fast scanning fluorescence spectroscopy (HPLC-FSFS) was employed for the analysis of 10 selected polycyclic aromatic hydrocarbons (PAHs), six of which correspond to heavy PAHs. The goal of the present study was the successful resolution of a system even in the presence of real interferences. Second-order HPLC-FSFS data matrices were obtained in a short time with a chromatographic system operating in isocratic mode. The difficulties in aligning chromatographic bands in complex systems, such as the ones presented here, are discussed. Two second-order calibration algorithms which do not require chromatographic alignment were selected for data processing, namely, multivariate curve resolution-alternating least-squares (MCR-ALS) and parallel factor analysis 2 (PARAFAC2). These algorithms did also achieve the second-order advantage, and therefore they were able to overcome the problem of the presence of unexpected interferences. The study was employed for the discussion of the scopes of the applied second-order chemometric tools, demonstrating the superiority of MCRALS to successfully resolve this complex system. The quality of the proposed techniques was assessed on the basis of the analytical recoveries from different types of water and olive oil samples after solid-phase extraction. The studied concentration ranges in water samples were 5.6 × 10-3-0.20 ng mL-1 for heavy PAHs and 0.036-0.80 ng mL-1 for light PAHs, while in oil samples the PAHs concentrations were 0.13-9.6 and 2.3-49.5 ng mL-1 for heavy and light PAHS, respectively. All real samples were analyzed in the presence of the studied interferences.
Fil: Bortolato, Santiago Andres. 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: Arancibia, Juan Alberto. 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: Escandar, Graciela Monica. 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 Multivariate calibration coupled to high-performance liquid chromatography-fast scanning fluorescence spectroscopy (HPLC-FSFS) was employed for the analysis of 10 selected polycyclic aromatic hydrocarbons (PAHs), six of which correspond to heavy PAHs. The goal of the present study was the successful resolution of a system even in the presence of real interferences. Second-order HPLC-FSFS data matrices were obtained in a short time with a chromatographic system operating in isocratic mode. The difficulties in aligning chromatographic bands in complex systems, such as the ones presented here, are discussed. Two second-order calibration algorithms which do not require chromatographic alignment were selected for data processing, namely, multivariate curve resolution-alternating least-squares (MCR-ALS) and parallel factor analysis 2 (PARAFAC2). These algorithms did also achieve the second-order advantage, and therefore they were able to overcome the problem of the presence of unexpected interferences. The study was employed for the discussion of the scopes of the applied second-order chemometric tools, demonstrating the superiority of MCRALS to successfully resolve this complex system. The quality of the proposed techniques was assessed on the basis of the analytical recoveries from different types of water and olive oil samples after solid-phase extraction. The studied concentration ranges in water samples were 5.6 × 10-3-0.20 ng mL-1 for heavy PAHs and 0.036-0.80 ng mL-1 for light PAHs, while in oil samples the PAHs concentrations were 0.13-9.6 and 2.3-49.5 ng mL-1 for heavy and light PAHS, respectively. All real samples were analyzed in the presence of the studied interferences.
publishDate 2009
dc.date.none.fl_str_mv 2009-10
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/11336/133265
Bortolato, Santiago Andres; Arancibia, Juan Alberto; Escandar, Graciela Monica; Non-trilinear chromatographic time retention-fluorescence emission data coupled to chemometric algorithms for the simultaneous determination of 10 polycyclic aromatic hydrocarbons in the presence of interferences; American Chemical Society; Analytical Chemistry; 81; 19; 10-2009; 8074-8084
2156-8278
0003-2700
CONICET Digital
CONICET
url http://hdl.handle.net/11336/133265
identifier_str_mv Bortolato, Santiago Andres; Arancibia, Juan Alberto; Escandar, Graciela Monica; Non-trilinear chromatographic time retention-fluorescence emission data coupled to chemometric algorithms for the simultaneous determination of 10 polycyclic aromatic hydrocarbons in the presence of interferences; American Chemical Society; Analytical Chemistry; 81; 19; 10-2009; 8074-8084
2156-8278
0003-2700
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1021/ac901272b
info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/ac901272b#
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
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
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