Authentication of edible oils using an infrared spectral library and digital sample sets: A feasibility study
Date
2023-03-19
Journal Title
Journal ISSN
Volume Title
Publisher
Journal of Chemometrics
Abstract
A potential method to determine whether two varieties of edible oils can be differentiated by Fourier transform infrared (FTIR) spectroscopy is proposed using digitally generated data of adulterated edible oils from an infrared (IR) spectral library. The first step is the evaluation of digitally blended data sets. Specifically, IR spectra of adulterated edible oils are computed from digitally blending experimental data of the IR spectra of an edible oil and the corresponding adulterant using the appropriate mixing coefficients to achieve the desired level of adulteration. To determine whether two edible oils can be differentiated by FTIR spectroscopy, pure IR spectra of the two edible oils are compared with IR spectra of two edible oils digitally mixed using a genetic algorithm for pattern recognition to solve a ternary classification problem. If the IR spectra of the two edible oils and their binary mixtures are differentiable from principal component plots of the spectral data, then differences between the IR spectra of these two edible oils are of sufficient magnitude to ensure that a reliable classification by FTIR spectroscopy can be obtained. Using this approach, the feasibility of authenticating edible oils such as extra virgin olive oil (EVOO) directly from library spectra is demonstrated. For this study, both digital and experimental data are combined to generate training and validation data sets to assess detection limits in FTIR spectroscopy for the adulterants.
Description
This is the peer reviewed version of the following article: Sota-Uba, I, White, CG, Booksh, K, Lavine, BK. Authentication of edible oils using an infrared spectral library and digital sample sets: A feasibility study. Journal of Chemometrics. 2023; 37( 3):e3469. https://doi.org/10.1002/cem.3469, which has been published in final form at https://doi.org/10.1002/cem.3469. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions. This article may not be enhanced, enriched or otherwise transformed into a derivative work, without express permission from Wiley or by statutory rights under applicable legislation. Copyright notices must not be removed, obscured or modified. The article must be linked to Wiley’s version of record on Wiley Online Library and any embedding, framing or otherwise making available the article or pages thereof by third parties from platforms, services and websites other than Wiley Online Library must be prohibited. This article will be embargoed until 3/19/2024.
Keywords
adulteration, classification, edible oils, genetic algorithms, mixture analysis, variable selection
Citation
Sota-Uba, I, White, CG, Booksh, K, Lavine, BK. Authentication of edible oils using an infrared spectral library and digital sample sets: A feasibility study. Journal of Chemometrics. 2023; 37( 3):e3469. https://doi.org/10.1002/cem.3469