Application of FTIR Spectroscopy for the Determination of Virgin Coconut Oil in Binary Mixtures with Olive Oil and Palm Oil

TLDR: In this article, a multivariate calibration method, partial least square (PLS) and principal component regression (PCR), was used to construct the calibration models that correlate between actual and FTIR-predicted values of VCO contents in the mixtures at the FTIR spectral frequencies of 1,120-1,105 and 965-960 cm−1.

Abstract: Rapid Fourier transform infrared (FTIR) spectroscopy combined with attenuated total reflectance (ATR) was applied for quantitative analysis of virgin coconut oil (VCO) in binary mixtures with olive oil (OO) and palm oil (PO). The spectral bands correlated with VCO, OO, PO; blends of VCO and OO; VCO and PO were scanned, interpreted, and identified. Two multivariate calibration methods, partial least square (PLS) and principal component regression (PCR), were used to construct the calibration models that correlate between actual and FTIR-predicted values of VCO contents in the mixtures at the FTIR spectral frequencies of 1,120–1,105 and 965–960 cm−1. The calibration models obtained were cross validated using the “leave one out” method. PLS at these frequencies showed the best calibration model, in terms of the highest coefficient of determination (R2) and the lowest of root mean standard error of calibration (RMSEC) with R2 = 0.9992 and RMSEC = 0.756, respectively, for VCO in mixture with OO. Meanwhile, the R2 and RMSEC values obtained for VCO in mixture with PO were 0.9996 and 0.494, respectively. In general, FTIR spectroscopy serves as a suitable technique for determination of VCO in mixture with the other oils.

Full text

Application of FTIR spectroscopy for the determination of virgin coconut oil in binary
mixtures with olive oil and palm oil.
ABSTRACT
Rapid Fourier transform infrared (FTIR) spectroscopy combined with attenuated total
reflectance (ATR) was applied for quantitative analysis of virgin coconut oil (VCO) in binary
mixtures with olive oil (OO) and palm oil (PO). The spectral bands correlated with VCO, OO,
PO; blends of VCO and OO; VCO and PO were scanned, interpreted, and identified. Two
multivariate calibration methods, partial least square (PLS) and principal component
regression (PCR), were used to construct the calibration models that correlate between actual
and FTIR-predicted values of VCO contents in the mixtures at the FTIR spectral frequencies
of 1,120–1,105 and 965–960 cm−1. The calibration models obtained were cross validated
using the “leave one out” method. PLS at these frequencies showed the best calibration
model, in terms of the highest coefficient of determination (R 2) and the lowest of root mean
standard error of calibration (RMSEC) with R 2 = 0.9992 and RMSEC = 0.756, respectively,
for VCO in mixture with OO. Meanwhile, the R 2 and RMSEC values obtained for VCO in
mixture with PO were 0.9996 and 0.494, respectively. In general, FTIR spectroscopy serves
as a suitable technique for determination of VCO in mixture with the other oils.
Keyword:
FTIR; Virgin coconut oil, Binary mixture; Parital elast square; Principal
component regression.

Frequently asked questions

Q1. What are the contributions in this paper?

In this paper, a multivariate calibration method, partial least square ( PLS ) and principal component regression ( PCR ), were used to construct the calibration models that correlate between actual and FTIR-predicted values of VCO contents in the mixtures at the FTIR spectral frequencies of 1,120-1,105 and 965-960 cm−1.