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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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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 |
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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 |
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