Determination of ochratoxin A in coffee and tea samples by coupling second-order multivariate calibration and fluorescence spectroscopy

Autores
Gonzalez, Albani L.; Lozano, Valeria Antonella; Escandar, Graciela Monica; Bravo, Manuel A.
Año de publicación
2020
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
A new method to quantify the mycotoxin ochratoxin A (OTA) in coffee and tea samples is proposed based on second-order multivariate calibration and excitation-emission fluorescence matrix (EEFM) data. Experimental conditions were optimized by studying the effect of pH and various organized media on the fluorescence signal of OTA. For each analysed matrix (coffee grains and tea leaves), several sample pretreatments and calibration methods (external or standard addition) and data processing by chemometric models (e.g., parallel factor analysis/PARAFAC and multivariate curve resolution-alternating least squares/MCR-ALS) were evaluated and discussed. The MCR-ALS algorithm provided an adequate fit to the data for both samples, while PARAFAC was satisfactory only for the tea samples. Regarding the figures of merit, the limits of detection were in the range of 0.2–0.3 ng mL−1; furthermore, low relative prediction errors, between 2% and 4%, were achieved in both the fortified and real samples. Accordingly, the proposed methodology was applied to analyse fortified roasted and green coffee and real tea leaf samples. Satisfactory recoveries were achieved (ranging from 92 to 110%), and the obtained concentrations were in agreement with the values obtained by the reference method (based on high-performance liquid chromatography with fluorescence detection/HPLC-FLD). In addition, all samples contained OTA levels lower than the maximum permissible levels. Finally, the proposed strategy allows the use of green analytical chemistry principles; for instance, the use of organic solvents and the generation of waste products were significantly lower than for similar analytical methods reported in the literature.
Fil: Gonzalez, Albani L.. Pontificia Universidad Católica de Valparaíso; Chile
Fil: Lozano, Valeria Antonella. 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
Fil: Bravo, Manuel A.. Pontificia Universidad Católica de Valparaíso; Chile
Materia
COFFEE SAMPLES
FLUORESCENCE SPECTROSCOPY
OCHRATOXIN A
SECOND-ORDER MULTIVARIATE CALIBRATION
TEA LEAVES
Nivel de accesibilidad
acceso embargado
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:11336/127171
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/127171
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Determination of ochratoxin A in coffee and tea samples by coupling second-order multivariate calibration and fluorescence spectroscopyGonzalez, Albani L.Lozano, Valeria AntonellaEscandar, Graciela MonicaBravo, Manuel A.COFFEE SAMPLESFLUORESCENCE SPECTROSCOPYOCHRATOXIN ASECOND-ORDER MULTIVARIATE CALIBRATIONTEA LEAVEShttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1A new method to quantify the mycotoxin ochratoxin A (OTA) in coffee and tea samples is proposed based on second-order multivariate calibration and excitation-emission fluorescence matrix (EEFM) data. Experimental conditions were optimized by studying the effect of pH and various organized media on the fluorescence signal of OTA. For each analysed matrix (coffee grains and tea leaves), several sample pretreatments and calibration methods (external or standard addition) and data processing by chemometric models (e.g., parallel factor analysis/PARAFAC and multivariate curve resolution-alternating least squares/MCR-ALS) were evaluated and discussed. The MCR-ALS algorithm provided an adequate fit to the data for both samples, while PARAFAC was satisfactory only for the tea samples. Regarding the figures of merit, the limits of detection were in the range of 0.2–0.3 ng mL−1; furthermore, low relative prediction errors, between 2% and 4%, were achieved in both the fortified and real samples. Accordingly, the proposed methodology was applied to analyse fortified roasted and green coffee and real tea leaf samples. Satisfactory recoveries were achieved (ranging from 92 to 110%), and the obtained concentrations were in agreement with the values obtained by the reference method (based on high-performance liquid chromatography with fluorescence detection/HPLC-FLD). In addition, all samples contained OTA levels lower than the maximum permissible levels. Finally, the proposed strategy allows the use of green analytical chemistry principles; for instance, the use of organic solvents and the generation of waste products were significantly lower than for similar analytical methods reported in the literature.Fil: Gonzalez, Albani L.. Pontificia Universidad Católica de Valparaíso; ChileFil: Lozano, Valeria Antonella. 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; ArgentinaFil: Bravo, Manuel A.. Pontificia Universidad Católica de Valparaíso; ChileElsevier Science2020-11-01info:eu-repo/date/embargoEnd/2021-05-02info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/127171Gonzalez, Albani L.; Lozano, Valeria Antonella; Escandar, Graciela Monica; Bravo, Manuel A.; Determination of ochratoxin A in coffee and tea samples by coupling second-order multivariate calibration and fluorescence spectroscopy; Elsevier Science; Talanta; 219; 1-11-2020; 1-39; 1212880039-9140CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S0039914020305798info:eu-repo/semantics/altIdentifier/doi/10.1016/j.talanta.2020.121288info:eu-repo/semantics/embargoedAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:44:05Zoai:ri.conicet.gov.ar:11336/127171instacron: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 09:44:05.575CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Determination of ochratoxin A in coffee and tea samples by coupling second-order multivariate calibration and fluorescence spectroscopy
title Determination of ochratoxin A in coffee and tea samples by coupling second-order multivariate calibration and fluorescence spectroscopy
spellingShingle Determination of ochratoxin A in coffee and tea samples by coupling second-order multivariate calibration and fluorescence spectroscopy
Gonzalez, Albani L.
COFFEE SAMPLES
FLUORESCENCE SPECTROSCOPY
OCHRATOXIN A
SECOND-ORDER MULTIVARIATE CALIBRATION
TEA LEAVES
title_short Determination of ochratoxin A in coffee and tea samples by coupling second-order multivariate calibration and fluorescence spectroscopy
title_full Determination of ochratoxin A in coffee and tea samples by coupling second-order multivariate calibration and fluorescence spectroscopy
title_fullStr Determination of ochratoxin A in coffee and tea samples by coupling second-order multivariate calibration and fluorescence spectroscopy
title_full_unstemmed Determination of ochratoxin A in coffee and tea samples by coupling second-order multivariate calibration and fluorescence spectroscopy
title_sort Determination of ochratoxin A in coffee and tea samples by coupling second-order multivariate calibration and fluorescence spectroscopy
dc.creator.none.fl_str_mv Gonzalez, Albani L.
Lozano, Valeria Antonella
Escandar, Graciela Monica
Bravo, Manuel A.
author Gonzalez, Albani L.
author_facet Gonzalez, Albani L.
Lozano, Valeria Antonella
Escandar, Graciela Monica
Bravo, Manuel A.
author_role author
author2 Lozano, Valeria Antonella
Escandar, Graciela Monica
Bravo, Manuel A.
author2_role author
author
author
dc.subject.none.fl_str_mv COFFEE SAMPLES
FLUORESCENCE SPECTROSCOPY
OCHRATOXIN A
SECOND-ORDER MULTIVARIATE CALIBRATION
TEA LEAVES
topic COFFEE SAMPLES
FLUORESCENCE SPECTROSCOPY
OCHRATOXIN A
SECOND-ORDER MULTIVARIATE CALIBRATION
TEA LEAVES
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 method to quantify the mycotoxin ochratoxin A (OTA) in coffee and tea samples is proposed based on second-order multivariate calibration and excitation-emission fluorescence matrix (EEFM) data. Experimental conditions were optimized by studying the effect of pH and various organized media on the fluorescence signal of OTA. For each analysed matrix (coffee grains and tea leaves), several sample pretreatments and calibration methods (external or standard addition) and data processing by chemometric models (e.g., parallel factor analysis/PARAFAC and multivariate curve resolution-alternating least squares/MCR-ALS) were evaluated and discussed. The MCR-ALS algorithm provided an adequate fit to the data for both samples, while PARAFAC was satisfactory only for the tea samples. Regarding the figures of merit, the limits of detection were in the range of 0.2–0.3 ng mL−1; furthermore, low relative prediction errors, between 2% and 4%, were achieved in both the fortified and real samples. Accordingly, the proposed methodology was applied to analyse fortified roasted and green coffee and real tea leaf samples. Satisfactory recoveries were achieved (ranging from 92 to 110%), and the obtained concentrations were in agreement with the values obtained by the reference method (based on high-performance liquid chromatography with fluorescence detection/HPLC-FLD). In addition, all samples contained OTA levels lower than the maximum permissible levels. Finally, the proposed strategy allows the use of green analytical chemistry principles; for instance, the use of organic solvents and the generation of waste products were significantly lower than for similar analytical methods reported in the literature.
Fil: Gonzalez, Albani L.. Pontificia Universidad Católica de Valparaíso; Chile
Fil: Lozano, Valeria Antonella. 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
Fil: Bravo, Manuel A.. Pontificia Universidad Católica de Valparaíso; Chile
description A new method to quantify the mycotoxin ochratoxin A (OTA) in coffee and tea samples is proposed based on second-order multivariate calibration and excitation-emission fluorescence matrix (EEFM) data. Experimental conditions were optimized by studying the effect of pH and various organized media on the fluorescence signal of OTA. For each analysed matrix (coffee grains and tea leaves), several sample pretreatments and calibration methods (external or standard addition) and data processing by chemometric models (e.g., parallel factor analysis/PARAFAC and multivariate curve resolution-alternating least squares/MCR-ALS) were evaluated and discussed. The MCR-ALS algorithm provided an adequate fit to the data for both samples, while PARAFAC was satisfactory only for the tea samples. Regarding the figures of merit, the limits of detection were in the range of 0.2–0.3 ng mL−1; furthermore, low relative prediction errors, between 2% and 4%, were achieved in both the fortified and real samples. Accordingly, the proposed methodology was applied to analyse fortified roasted and green coffee and real tea leaf samples. Satisfactory recoveries were achieved (ranging from 92 to 110%), and the obtained concentrations were in agreement with the values obtained by the reference method (based on high-performance liquid chromatography with fluorescence detection/HPLC-FLD). In addition, all samples contained OTA levels lower than the maximum permissible levels. Finally, the proposed strategy allows the use of green analytical chemistry principles; for instance, the use of organic solvents and the generation of waste products were significantly lower than for similar analytical methods reported in the literature.
publishDate 2020
dc.date.none.fl_str_mv 2020-11-01
info:eu-repo/date/embargoEnd/2021-05-02
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/11336/127171
Gonzalez, Albani L.; Lozano, Valeria Antonella; Escandar, Graciela Monica; Bravo, Manuel A.; Determination of ochratoxin A in coffee and tea samples by coupling second-order multivariate calibration and fluorescence spectroscopy; Elsevier Science; Talanta; 219; 1-11-2020; 1-39; 121288
0039-9140
CONICET Digital
CONICET
url http://hdl.handle.net/11336/127171
identifier_str_mv Gonzalez, Albani L.; Lozano, Valeria Antonella; Escandar, Graciela Monica; Bravo, Manuel A.; Determination of ochratoxin A in coffee and tea samples by coupling second-order multivariate calibration and fluorescence spectroscopy; Elsevier Science; Talanta; 219; 1-11-2020; 1-39; 121288
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/S0039914020305798
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.talanta.2020.121288
dc.rights.none.fl_str_mv info:eu-repo/semantics/embargoedAccess
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
eu_rights_str_mv embargoedAccess
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 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
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score 13.070432

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