Cargando…

Redundancy Analysis to Reduce the High-Dimensional Near-Infrared Spectral Information to Improve the Authentication of Olive Oil

[Image: see text] The high price of marketing of extra virgin olive oil (EVOO) requires the introduction of cost-effective and sustainable procedures that facilitate its authentication, avoiding fraud in the sector. Contrary to classical techniques (such as chromatography), near-infrared (NIR) spect...

Descripción completa

Detalles Bibliográficos
Autores principales: Sánchez-Rodríguez, María Isabel, Sánchez-López, Elena, Marinas, Alberto, Caridad, José María, Urbano, Francisco José
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9554901/
https://www.ncbi.nlm.nih.gov/pubmed/36130074
http://dx.doi.org/10.1021/acs.jcim.2c00964
_version_ 1784806800924606464
author Sánchez-Rodríguez, María Isabel
Sánchez-López, Elena
Marinas, Alberto
Caridad, José María
Urbano, Francisco José
author_facet Sánchez-Rodríguez, María Isabel
Sánchez-López, Elena
Marinas, Alberto
Caridad, José María
Urbano, Francisco José
author_sort Sánchez-Rodríguez, María Isabel
collection PubMed
description [Image: see text] The high price of marketing of extra virgin olive oil (EVOO) requires the introduction of cost-effective and sustainable procedures that facilitate its authentication, avoiding fraud in the sector. Contrary to classical techniques (such as chromatography), near-infrared (NIR) spectroscopy does not need derivatization of the sample with proper integration of separated peaks and is more reliable, rapid, and cost-effective. In this work, principal component analysis (PCA) and then redundancy analysis (RDA)—which can be seen as a constrained version of PCA—are used to summarize the high-dimensional NIR spectral information. Then PCA and RDA factors are contemplated as explanatory variables in models to authenticate oils from qualitative or quantitative analysis, in particular, in the prediction of the percentage of EVOO in blended oils or in the classification of EVOO or other vegetable oils (sunflower, hazelnut, corn, or linseed oil) by the use of some machine learning algorithms. As a conclusion, the results highlight the potential of RDA factors in prediction and classification because they appreciably improve the results obtained from PCA factors in calibration and validation.
format Online
Article
Text
id pubmed-9554901
institution National Center for Biotechnology Information
language English
publishDate 2022
publisher American Chemical Society
record_format MEDLINE/PubMed
spelling pubmed-95549012022-10-13 Redundancy Analysis to Reduce the High-Dimensional Near-Infrared Spectral Information to Improve the Authentication of Olive Oil Sánchez-Rodríguez, María Isabel Sánchez-López, Elena Marinas, Alberto Caridad, José María Urbano, Francisco José J Chem Inf Model [Image: see text] The high price of marketing of extra virgin olive oil (EVOO) requires the introduction of cost-effective and sustainable procedures that facilitate its authentication, avoiding fraud in the sector. Contrary to classical techniques (such as chromatography), near-infrared (NIR) spectroscopy does not need derivatization of the sample with proper integration of separated peaks and is more reliable, rapid, and cost-effective. In this work, principal component analysis (PCA) and then redundancy analysis (RDA)—which can be seen as a constrained version of PCA—are used to summarize the high-dimensional NIR spectral information. Then PCA and RDA factors are contemplated as explanatory variables in models to authenticate oils from qualitative or quantitative analysis, in particular, in the prediction of the percentage of EVOO in blended oils or in the classification of EVOO or other vegetable oils (sunflower, hazelnut, corn, or linseed oil) by the use of some machine learning algorithms. As a conclusion, the results highlight the potential of RDA factors in prediction and classification because they appreciably improve the results obtained from PCA factors in calibration and validation. American Chemical Society 2022-09-21 2022-10-10 /pmc/articles/PMC9554901/ /pubmed/36130074 http://dx.doi.org/10.1021/acs.jcim.2c00964 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Sánchez-Rodríguez, María Isabel
Sánchez-López, Elena
Marinas, Alberto
Caridad, José María
Urbano, Francisco José
Redundancy Analysis to Reduce the High-Dimensional Near-Infrared Spectral Information to Improve the Authentication of Olive Oil
title Redundancy Analysis to Reduce the High-Dimensional Near-Infrared Spectral Information to Improve the Authentication of Olive Oil
title_full Redundancy Analysis to Reduce the High-Dimensional Near-Infrared Spectral Information to Improve the Authentication of Olive Oil
title_fullStr Redundancy Analysis to Reduce the High-Dimensional Near-Infrared Spectral Information to Improve the Authentication of Olive Oil
title_full_unstemmed Redundancy Analysis to Reduce the High-Dimensional Near-Infrared Spectral Information to Improve the Authentication of Olive Oil
title_short Redundancy Analysis to Reduce the High-Dimensional Near-Infrared Spectral Information to Improve the Authentication of Olive Oil
title_sort redundancy analysis to reduce the high-dimensional near-infrared spectral information to improve the authentication of olive oil
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9554901/
https://www.ncbi.nlm.nih.gov/pubmed/36130074
http://dx.doi.org/10.1021/acs.jcim.2c00964
work_keys_str_mv AT sanchezrodriguezmariaisabel redundancyanalysistoreducethehighdimensionalnearinfraredspectralinformationtoimprovetheauthenticationofoliveoil
AT sanchezlopezelena redundancyanalysistoreducethehighdimensionalnearinfraredspectralinformationtoimprovetheauthenticationofoliveoil
AT marinasalberto redundancyanalysistoreducethehighdimensionalnearinfraredspectralinformationtoimprovetheauthenticationofoliveoil
AT caridadjosemaria redundancyanalysistoreducethehighdimensionalnearinfraredspectralinformationtoimprovetheauthenticationofoliveoil
AT urbanofranciscojose redundancyanalysistoreducethehighdimensionalnearinfraredspectralinformationtoimprovetheauthenticationofoliveoil