Chemometric approach to characterization of the selected grape seed oils based on their fatty acids composition and FTIR spectroscopy

Abstract Addressing the issues arising from the production and trade of low-quality foods necessitates developing new quality control methods. Cooking oils, especially those produced from the grape seeds, are an example of food products that often suffer from questionable quality due to various adul...

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Autores principales:	Mašán Vladimír, Arkadiusz P. Matwijczuk, Agnieszka Niemczynowicz, Radosław A. Kycia, Dariusz Karcz, Bożena Gładyszewska, Lidia Ślusarczyk, Patrik Burg
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/a2b6035cb81b47aa87dc81f9595435de
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spelling	oai:doaj.org-article:a2b6035cb81b47aa87dc81f9595435de2021-12-02T19:16:59ZChemometric approach to characterization of the selected grape seed oils based on their fatty acids composition and FTIR spectroscopy10.1038/s41598-021-98763-62045-2322https://doaj.org/article/a2b6035cb81b47aa87dc81f9595435de2021-09-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-98763-6https://doaj.org/toc/2045-2322Abstract Addressing the issues arising from the production and trade of low-quality foods necessitates developing new quality control methods. Cooking oils, especially those produced from the grape seeds, are an example of food products that often suffer from questionable quality due to various adulterations and low-quality fruits used for their production. Among many methods allowing for fast and efficient food quality control, the combination of experimental and advanced mathematical approaches seems most reliable. In this work a method for grape seed oils compositional characterization based on the infrared (FTIR) spectroscopy and fatty acids profile is reported. Also, the relevant parameters of oils are characterized using a combination of standard techniques such as the Principal Component Analysis, k-Means, and Gaussian Mixture Model (GMM) fitting parameters. Two different approaches to perform unsupervised clustering using GMM were investigated. The first approach relies on the profile of fatty acids, while the second is FT-IR spectroscopy-based. The GMM fitting parameters in both approaches were compared. The results obtained from both approaches are consistent and complementary and provide the tools to address the characterization and clustering issues in grape seed oils.Mašán VladimírArkadiusz P. MatwijczukAgnieszka NiemczynowiczRadosław A. KyciaDariusz KarczBożena GładyszewskaLidia ŚlusarczykPatrik BurgNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-13 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Mašán Vladimír Arkadiusz P. Matwijczuk Agnieszka Niemczynowicz Radosław A. Kycia Dariusz Karcz Bożena Gładyszewska Lidia Ślusarczyk Patrik Burg Chemometric approach to characterization of the selected grape seed oils based on their fatty acids composition and FTIR spectroscopy
description	Abstract Addressing the issues arising from the production and trade of low-quality foods necessitates developing new quality control methods. Cooking oils, especially those produced from the grape seeds, are an example of food products that often suffer from questionable quality due to various adulterations and low-quality fruits used for their production. Among many methods allowing for fast and efficient food quality control, the combination of experimental and advanced mathematical approaches seems most reliable. In this work a method for grape seed oils compositional characterization based on the infrared (FTIR) spectroscopy and fatty acids profile is reported. Also, the relevant parameters of oils are characterized using a combination of standard techniques such as the Principal Component Analysis, k-Means, and Gaussian Mixture Model (GMM) fitting parameters. Two different approaches to perform unsupervised clustering using GMM were investigated. The first approach relies on the profile of fatty acids, while the second is FT-IR spectroscopy-based. The GMM fitting parameters in both approaches were compared. The results obtained from both approaches are consistent and complementary and provide the tools to address the characterization and clustering issues in grape seed oils.
format	article
author	Mašán Vladimír Arkadiusz P. Matwijczuk Agnieszka Niemczynowicz Radosław A. Kycia Dariusz Karcz Bożena Gładyszewska Lidia Ślusarczyk Patrik Burg
author_facet	Mašán Vladimír Arkadiusz P. Matwijczuk Agnieszka Niemczynowicz Radosław A. Kycia Dariusz Karcz Bożena Gładyszewska Lidia Ślusarczyk Patrik Burg
author_sort	Mašán Vladimír
title	Chemometric approach to characterization of the selected grape seed oils based on their fatty acids composition and FTIR spectroscopy
title_short	Chemometric approach to characterization of the selected grape seed oils based on their fatty acids composition and FTIR spectroscopy
title_full	Chemometric approach to characterization of the selected grape seed oils based on their fatty acids composition and FTIR spectroscopy
title_fullStr	Chemometric approach to characterization of the selected grape seed oils based on their fatty acids composition and FTIR spectroscopy
title_full_unstemmed	Chemometric approach to characterization of the selected grape seed oils based on their fatty acids composition and FTIR spectroscopy
title_sort	chemometric approach to characterization of the selected grape seed oils based on their fatty acids composition and ftir spectroscopy
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/a2b6035cb81b47aa87dc81f9595435de
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Chemometric approach to characterization of the selected grape seed oils based on their fatty acids composition and FTIR spectroscopy

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