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 - Materia
-
CHROMATOGRAPHY
FLUORESCENCE
CHEMOMETRY
HYDROCARBONS - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
- Repositorio
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/133265
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CONICET Digital (CONICET) |
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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 Técnicas2025-09-29T10:06:55Zoai: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:34982025-09-29 10:06:56.02CONICET 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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1844613923728261120 |
score |
13.070432 |