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

根据脂肪酸组成和 FTIR 光谱,采用化学计量学方法对选定的葡萄籽油进行表征

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作者:Mašán Vladimír #, Arkadiusz P Matwijczuk, Agnieszka Niemczynowicz #, Radosław A Kycia #, Dariusz Karcz #, Bożena Gładyszewska #, Lidia Ślusarczyk #, Patrik Burg #

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.

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