Authentication of Nigella sativa Seed Oil in Binary and Ternary Mixtures with Corn Oil and Soybean Oil Using FTIR Spectroscopy Coupled with Partial Least Square

Abstract EN

Fourier transform infrared spectroscopy (FTIR) combined with multivariate calibration of partial least square (PLS) was developed and optimized for the analysis of Nigella seed oil (NSO) in binary and ternary mixtures with corn oil (CO) and soybean oil (SO).

Based on PLS modeling performed, quantitative analysis of NSO in binary mixtures with CO carried out using the second derivative FTIR spectra at combined frequencies of 2977–3028, 1666–1739, and 740–1446 cm−1 revealed the highest value of coefficient of determination (R2, 0.9984) and the lowest value of root mean square error of calibration (RMSEC, 1.34% v/v).

NSO in binary mixtures with SO is successfully determined at the combined frequencies of 2985–3024 and 752–1755 cm−1 using the first derivative FTIR spectra with R2 and RMSEC values of 0.9970 and 0.47% v/v, respectively.

Meanwhile, the second derivative FTIR spectra at the combined frequencies of 2977–3028 cm−1, 1666–1739 cm−1, and 740–1446 cm−1 were selected for quantitative analysis of NSO in ternary mixture with CO and SO with R2 and RMSEC values of 0.9993 and 0.86% v/v, respectively.

The results showed that FTIR spectrophotometry is an accurate technique for the quantitative analysis of NSO in binary and ternary mixtures with CO and SO.