Simultaneous determination of quality parameters in yerba mate (Ilex paraguariensis) samples by application of near-infrared (NIR) spectroscopy and partial least squares (PLS)

Autores
Rossi, Gianina B.; Lozano, Valeria Antonella
Año de publicación
2020
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
A simple, fast and eco-friendly methodology to determine quality parameters, such as moisture, total ashes and caffeine content, in yerba mate samples was developed using near-infrared (NIR) spectroscopy and chemometrics. The NIR spectra of the yerba mate samples were measured directly on the product contained in the packages, thus avoiding the need of previous pretreatments. In the present study, NIR spectroscopy was used combined with chemometric regression methods based on partial least squares (PLS) algorithm. Performance of the regression models was adequate with very good statistical results, the correlation coefficients (R2) were above 0.90 with a root mean square error of prediction (RMSEP) lower than 0.17% for the three quality control parameters studied. Besides, the quality of the proposed methodology was also evidenced on the basis of the relative error of prediction (REP), which was less than 6.97% in all cases, and the limit of detection (LOD), which ranged from 0.72 to 0.80% for moisture, from 0.74 to 0.76% for total ashes, and from 0.22 to 0.25% for caffeine. Overall, the results demonstrated that NIR spectroscopy with PLS analysis can be successfully applied as a rapid routine method to determine parameters of quality control in yerba mate samples.
Fil: Rossi, Gianina B.. 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: 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
Materia
NIR SPECTROSCOPY
PLS
NON-DESTRUCTIVE FOOD ANALYSIS
QUALITY CONTROL
YERBA MATE SAMPLES
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:11336/115992
Acceder
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repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Simultaneous determination of quality parameters in yerba mate (Ilex paraguariensis) samples by application of near-infrared (NIR) spectroscopy and partial least squares (PLS)Rossi, Gianina B.Lozano, Valeria AntonellaNIR SPECTROSCOPYPLSNON-DESTRUCTIVE FOOD ANALYSISQUALITY CONTROLYERBA MATE SAMPLEShttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1A simple, fast and eco-friendly methodology to determine quality parameters, such as moisture, total ashes and caffeine content, in yerba mate samples was developed using near-infrared (NIR) spectroscopy and chemometrics. The NIR spectra of the yerba mate samples were measured directly on the product contained in the packages, thus avoiding the need of previous pretreatments. In the present study, NIR spectroscopy was used combined with chemometric regression methods based on partial least squares (PLS) algorithm. Performance of the regression models was adequate with very good statistical results, the correlation coefficients (R2) were above 0.90 with a root mean square error of prediction (RMSEP) lower than 0.17% for the three quality control parameters studied. Besides, the quality of the proposed methodology was also evidenced on the basis of the relative error of prediction (REP), which was less than 6.97% in all cases, and the limit of detection (LOD), which ranged from 0.72 to 0.80% for moisture, from 0.74 to 0.76% for total ashes, and from 0.22 to 0.25% for caffeine. Overall, the results demonstrated that NIR spectroscopy with PLS analysis can be successfully applied as a rapid routine method to determine parameters of quality control in yerba mate samples.Fil: Rossi, Gianina B.. 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: 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; ArgentinaElsevier Science2020-05info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/115992Rossi, Gianina B.; Lozano, Valeria Antonella; Simultaneous determination of quality parameters in yerba mate (Ilex paraguariensis) samples by application of near-infrared (NIR) spectroscopy and partial least squares (PLS); Elsevier Science; LWT - Food Science and Technology; 126; 109290; 5-2020; 1-50023-6438CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://linkinghub.elsevier.com/retrieve/pii/S0023643820302784info:eu-repo/semantics/altIdentifier/doi/10.1016/j.lwt.2020.109290info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T15:28:35Zoai:ri.conicet.gov.ar:11336/115992instacron: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:34982025-10-15 15:28:35.821CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Simultaneous determination of quality parameters in yerba mate (Ilex paraguariensis) samples by application of near-infrared (NIR) spectroscopy and partial least squares (PLS)
title Simultaneous determination of quality parameters in yerba mate (Ilex paraguariensis) samples by application of near-infrared (NIR) spectroscopy and partial least squares (PLS)
spellingShingle Simultaneous determination of quality parameters in yerba mate (Ilex paraguariensis) samples by application of near-infrared (NIR) spectroscopy and partial least squares (PLS)
Rossi, Gianina B.
NIR SPECTROSCOPY
PLS
NON-DESTRUCTIVE FOOD ANALYSIS
QUALITY CONTROL
YERBA MATE SAMPLES
title_short Simultaneous determination of quality parameters in yerba mate (Ilex paraguariensis) samples by application of near-infrared (NIR) spectroscopy and partial least squares (PLS)
title_full Simultaneous determination of quality parameters in yerba mate (Ilex paraguariensis) samples by application of near-infrared (NIR) spectroscopy and partial least squares (PLS)
title_fullStr Simultaneous determination of quality parameters in yerba mate (Ilex paraguariensis) samples by application of near-infrared (NIR) spectroscopy and partial least squares (PLS)
title_full_unstemmed Simultaneous determination of quality parameters in yerba mate (Ilex paraguariensis) samples by application of near-infrared (NIR) spectroscopy and partial least squares (PLS)
title_sort Simultaneous determination of quality parameters in yerba mate (Ilex paraguariensis) samples by application of near-infrared (NIR) spectroscopy and partial least squares (PLS)
dc.creator.none.fl_str_mv Rossi, Gianina B.
Lozano, Valeria Antonella
author Rossi, Gianina B.
author_facet Rossi, Gianina B.
Lozano, Valeria Antonella
author_role author
author2 Lozano, Valeria Antonella
author2_role author
dc.subject.none.fl_str_mv NIR SPECTROSCOPY
PLS
NON-DESTRUCTIVE FOOD ANALYSIS
QUALITY CONTROL
YERBA MATE SAMPLES
topic NIR SPECTROSCOPY
PLS
NON-DESTRUCTIVE FOOD ANALYSIS
QUALITY CONTROL
YERBA MATE SAMPLES
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 simple, fast and eco-friendly methodology to determine quality parameters, such as moisture, total ashes and caffeine content, in yerba mate samples was developed using near-infrared (NIR) spectroscopy and chemometrics. The NIR spectra of the yerba mate samples were measured directly on the product contained in the packages, thus avoiding the need of previous pretreatments. In the present study, NIR spectroscopy was used combined with chemometric regression methods based on partial least squares (PLS) algorithm. Performance of the regression models was adequate with very good statistical results, the correlation coefficients (R2) were above 0.90 with a root mean square error of prediction (RMSEP) lower than 0.17% for the three quality control parameters studied. Besides, the quality of the proposed methodology was also evidenced on the basis of the relative error of prediction (REP), which was less than 6.97% in all cases, and the limit of detection (LOD), which ranged from 0.72 to 0.80% for moisture, from 0.74 to 0.76% for total ashes, and from 0.22 to 0.25% for caffeine. Overall, the results demonstrated that NIR spectroscopy with PLS analysis can be successfully applied as a rapid routine method to determine parameters of quality control in yerba mate samples.
Fil: Rossi, Gianina B.. 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: 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
description A simple, fast and eco-friendly methodology to determine quality parameters, such as moisture, total ashes and caffeine content, in yerba mate samples was developed using near-infrared (NIR) spectroscopy and chemometrics. The NIR spectra of the yerba mate samples were measured directly on the product contained in the packages, thus avoiding the need of previous pretreatments. In the present study, NIR spectroscopy was used combined with chemometric regression methods based on partial least squares (PLS) algorithm. Performance of the regression models was adequate with very good statistical results, the correlation coefficients (R2) were above 0.90 with a root mean square error of prediction (RMSEP) lower than 0.17% for the three quality control parameters studied. Besides, the quality of the proposed methodology was also evidenced on the basis of the relative error of prediction (REP), which was less than 6.97% in all cases, and the limit of detection (LOD), which ranged from 0.72 to 0.80% for moisture, from 0.74 to 0.76% for total ashes, and from 0.22 to 0.25% for caffeine. Overall, the results demonstrated that NIR spectroscopy with PLS analysis can be successfully applied as a rapid routine method to determine parameters of quality control in yerba mate samples.
publishDate 2020
dc.date.none.fl_str_mv 2020-05
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/11336/115992
Rossi, Gianina B.; Lozano, Valeria Antonella; Simultaneous determination of quality parameters in yerba mate (Ilex paraguariensis) samples by application of near-infrared (NIR) spectroscopy and partial least squares (PLS); Elsevier Science; LWT - Food Science and Technology; 126; 109290; 5-2020; 1-5
0023-6438
CONICET Digital
CONICET
url http://hdl.handle.net/11336/115992
identifier_str_mv Rossi, Gianina B.; Lozano, Valeria Antonella; Simultaneous determination of quality parameters in yerba mate (Ilex paraguariensis) samples by application of near-infrared (NIR) spectroscopy and partial least squares (PLS); Elsevier Science; LWT - Food Science and Technology; 126; 109290; 5-2020; 1-5
0023-6438
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://linkinghub.elsevier.com/retrieve/pii/S0023643820302784
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.lwt.2020.109290
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 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 13.22299

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