Authentication and identification of adulterants in virgin coconut oil using ATR/FTIR in tandem with DD-SIMCA one class modeling

Marina De Géa Neves; Ronei Jesus Poppi

doi:10.1016/j.talanta.2020.121338

Authentication and identification of adulterants in virgin coconut oil using ATR/FTIR in tandem with DD-SIMCA one class modeling

Talanta. 2020 Nov 1:219:121338. doi: 10.1016/j.talanta.2020.121338. Epub 2020 Jul 7.

Authors

Marina De Géa Neves¹, Ronei Jesus Poppi²

Affiliations

¹ Department of Analytical Chemistry, Institute of Chemistry, University of Campinas (UNICAMP), Campinas, SP, Brazil. Electronic address: marina.de.gea.n@gmail.com.
² Department of Analytical Chemistry, Institute of Chemistry, University of Campinas (UNICAMP), Campinas, SP, Brazil.

PMID: 32887068
DOI: 10.1016/j.talanta.2020.121338

Abstract

This study evaluates the use of Fourier transform infrared spectroscopy with attenuated total reflectance (ATR/FTIR) in tandem with data driven soft independent modeling of class analogy (DD-SIMCA) to check authenticity and monitor virgin coconut oil adulteration. By using infrared spectra of pure samples and samples adulterated with canola, corn, sunflower and soybean, one class models were developed to evaluate the authenticity and adulteration of virgin coconut oil. The proposed methodology was able to confirm the authenticity and to detect the adulteration with all tested oils in a concentration range of 10-40%. Also, it was possible to identify the four adulterants oils studied with 88-100% of sensitivity and 96-100% of specificity. The results indicated that ATR/FTIR spectroscopy in conjunction with a one-class strategy based on DD-SIMCA is a clean and fast methodology that can be easily implemented for virgin coconut oil purity control.

Keywords: Adulteration; Coconut oil; DD-SIMCA; Infrared spectroscopy; One class classifier.