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Research Article

Investigation of adulteration of sunflower oil with thermally deteriorated oil using Fourier transform mid-infrared spectroscopy and chemometrics

ORCID Icon, ORCID Icon & ORCID Icon | (Reviewing Editor)
Article: 1020254 | Received 03 Dec 2014, Accepted 13 Feb 2015, Published online: 13 Mar 2015

Figures & data

Figure 1. FTIR spectra of sunflower oil (SO) samples heated at temperatures ranging from 125 to 225°C for 6 h

Notes: Inset: Changes observed in absorbencies: (a) and (b) samples heated at temperatures ranging from 125 to 225°C for 6 h (Set A); (c) and (d) SO samples adulterated with 5, 10, 15, and 20% of TDO (Set B). Increase in absorbance between 930 and 1,000 cm−1 is due to bending vibration of trans-double bond decrease in absorbance from 2,990 to 3,030 cm−1 is due to stretching vibration of cis double bond.
Figure 1. FTIR spectra of sunflower oil (SO) samples heated at temperatures ranging from 125 to 225°C for 6 h

Figure 2. Observation diagram of a principal component analysis for the differentiation of sunflower oil (SO) samples deteriorated using a set of different conditions using FTIR-ATR spectral data

Figure 2. Observation diagram of a principal component analysis for the differentiation of sunflower oil (SO) samples deteriorated using a set of different conditions using FTIR-ATR spectral data

Figure 3. Measured spectra together with its first and second derivatives for sunflower oil (SO) samples, thermally deteriorated sunflower oil (TDO, 200°C/24 h), and SO adulterated with 5, 10, 15, and 20% of TDO (sub-set of Set B)

Figure 3. Measured spectra together with its first and second derivatives for sunflower oil (SO) samples, thermally deteriorated sunflower oil (TDO, 200°C/24 h), and SO adulterated with 5, 10, 15, and 20% of TDO (sub-set of Set B)

Figure 4. Similarity map as determined by discriminant analysis using factors DF1 and DF2 for FTIR-ATR spectral data of pure sunflower oil (SO), thermally deteriorated sunflower oil (TDO), and SO mixed with thermally deteriorated sunflower oil (SO/TDO) (samples with less than 5% of TDO deteriorated at 200°C for 24 h)

Figure 4. Similarity map as determined by discriminant analysis using factors DF1 and DF2 for FTIR-ATR spectral data of pure sunflower oil (SO), thermally deteriorated sunflower oil (TDO), and SO mixed with thermally deteriorated sunflower oil (SO/TDO) (samples with less than 5% of TDO deteriorated at 200°C for 24 h)

Table 1. Confusion matrix for the classification of pure SO, TDO, and SO/TDO (samples with less than 5% of TDO). Results for calibration and cross-validation. Observed classifications in the rows. Predicted classifications in columns

Table 2. Principal component regression (PCR) and partial least squares regression (PLS-R) models-based calibrations for quantification of adulteration of SO with TDO using standard normal variate (SNV) spectral data and its first and second derivatives

Figure 5. Quality of the models for the relationship between measured concentration of thermally deteriorated sunflower oil (TDO) in pure sunflower oil (SO) samples and predicted values based on FTIR spectra: (a) PCR model and (b) PLS-R model, using first derivative of spectral data

Figure 5. Quality of the models for the relationship between measured concentration of thermally deteriorated sunflower oil (TDO) in pure sunflower oil (SO) samples and predicted values based on FTIR spectra: (a) PCR model and (b) PLS-R model, using first derivative of spectral data