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

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Authors

VLADIMÍR Mašán MATWIJCZUK Arkadiusz P. NIEMCZYNOWICZ Agnieszka KYCIA Radoslaw Antoni KARCZ Dariusz GLADYSZEWSKA Bożena SLUSARCZYK Lidia BURG Patrik

Year of publication 2021
Type Article in Periodical
Magazine / Source Nature Scientific Reports
MU Faculty or unit

Faculty of Science

Citation
Web https://doi.org/10.1038/s41598-021-98763-6
Doi http://dx.doi.org/10.1038/s41598-021-98763-6
Keywords quality control method; grape seed; seed oil; food quality control; spectroscopy
Description 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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