Rapid Classification and Quantification of Camellia (Camellia oleifera Abel.) Oil Blended with Rapeseed Oil Using FTIR-ATR Spectroscopy
Abstract
:1. Introduction
2. Results and Discussion
2.1. FTIR Spectra of Edible Oils
2.2. Principal Component Analysis
2.3. Linear Discriminant Analysis
2.4. Quantitative Analysis of CAO Adulteration with RSO Based PLSR
3. Materials and Methods
3.1. Chemicals and Samples
3.2. Analysis of Fatty Acid Composition
3.3. Collection of FTIR Spectra
3.4. Chemometric Analysis
3.5. Statistical Analysis
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Conflicts of Interest
References
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Sample Availability: Samples of the camellia oil are available from the authors. |
Wavenumbers (cm−1) | Functional Group | Mode of Vibration | Possible Structural Units | Absorption Intensity |
---|---|---|---|---|
3006 | =C–H (cis) | Stretching | Medium | |
2923 | –C–H (CH2) | Stretching (asymmetrical) | Very strong | |
2853 | –C–H (CH2) | Stretching (symmetrical) | Very strong | |
1744 | –C=O (ester group) | Stretching | Very strong | |
1464 | –C–H (CH2) –C–H (CH3) | Bending (scissor) and/or Deformation | | Medium |
1377 | –C–H (CH3) | Bending (symmetrical) | Medium | |
1240 | –C–H (CH2) | Bending | Medium | |
1160 | –C–H (CH2) | Bending | strong | |
1119 | –C–O (ester group) | Stretching | Medium | |
1096 | –C–O (ester group) | Stretching | Medium | |
722 | –(CH2)n– –HC=CH | Bending (rocking) and out-of-plane vibration | | Medium Weak |
Fatty Acids | Common Names | CAO | SBO | CO | RSO | SFO | PO | SO |
---|---|---|---|---|---|---|---|---|
C16:0 | Palmitic Acid | 10.44 ± 2.03 | 10.56 ± 0.93 | 13.24 ± 0.37 | 4.72 ± 0.22 | 6.43 ± 0.27 | 12.09 ± 0.47 | 9.56 ± 0.13 |
C16:1 | Palmitoleic Acid | ND a | ND | 0.05± 0.01 | 1.17 ± 0.10 | 0.06± 0.01 | ND | ND |
C18:0 | Stearic Acid | 2.45 ± 0.46 | 3.82 ± 0.42 | 1.89 ± 0.05 | 1.98 ± 0.08 | 4.62 ± 0.22 | 3.94 ± 0.31 | 5.74 ± 0.27 |
C18:1 | Oleic Acid | 76.46 ± 2.72 | 23.17 ± 0.68 | 31.61 ± 0.62 | 64.05 ± 1.11 | 22.94 ± 0.29 | 40.87 ± 0.45 | 38.79 ± 0.83 |
C18:2 | Linoleic Acid | 10.25 ± 3.19 | 54.09 ± 0.69 | 51.71 ± 0.51 | 21.16 ± 1.23 | 64.68 ± 0.38 | 36.14 ± 0.75 | 45.01 ± 1.21 |
C18:3 | Linolenic Acid | 0.15 ± 0.04 | 7.37 ± 0.38 | 1.09 ± 0.14 | 6.29 ± 0.29 | 0.17 ± 0.03 | 0.18 ±0.05 | 0.44 ± 0.09 |
C20:0 | Arachidic Acid | 0.05± 0.02 | 0.47 ± 0.06 | 0.45 ± 0.02 | 0.08 ± 0.02 | 0.30 ± 0.05 | 1.49 ± 0.08 | 0.63 ± 0.05 |
C20:1 | Arachidonic Acid | 0.24 ± 0.09 | 0.04 ± 0.09 | 0.24 ± 0.09 | 0.24 ± 0.09 | 0.22 ± 0.03 | 1.13 ± 0.04 | 0.24 ± 0.09 |
C22:0 | Behenic Acid | 0.06± 0.03 | 0.49 ± 0.05 | 0.05± 0.02 | 0.39 ± 0.03 | 0.81 ± 0.05 | 2.85 ± 0.04 | 0.12 ± 0.02 |
C24:0 | Tetracosanoic Acid | 0.07± 0.02 | 0.04± 0.02 | 0.06± 0.01 | 0.13 ± 0.02 | ND | 1.47 ± 0.09 | ND |
Oil Samples | Predicted Group Membership | Total | ||||||
---|---|---|---|---|---|---|---|---|
RSO1% | RSO3% | RSO5% | RSO10% | CAO | 15 | |||
Original | Count | RSO1% | 15 | 0 | 0 | 0 | 0 | 15 |
RSO3% | 0 | 15 | 0 | 0 | 0 | 15 | ||
RSO5% | 0 | 0 | 15 | 0 | 0 | 15 | ||
RSO10% | 0 | 0 | 0 | 15 | 0 | 15 | ||
CAO | 0 | 0 | 0 | 0 | 15 | 15 | ||
% | RSO1% | 100.00 | 0 | 0 | 0 | 0 | 100.00 | |
RSO3% | 0 | 100.00 | 0 | 0 | 0 | 100.00 | ||
RSO5% | 0 | 0 | 100.00 | 0 | 0 | 100.00 | ||
RSO10% | 0 | 0 | 0 | 100.00 | 0 | 100.00 | ||
CAO | 0 | 0 | 0 | 0 | 100.00 | 100.00 | ||
Cross-validated | Count | RSO1% | 15 | 0 | 0 | 0 | 0 | 15 |
RSO3% | 0 | 15 | 0 | 0 | 0 | 15 | ||
RSO5% | 0 | 0 | 15 | 0 | 0 | 15 | ||
RSO10% | 0 | 0 | 0 | 15 | 0 | 15 | ||
CAO | 0 | 0 | 0 | 0 | 15 | 15 | ||
% | RSO1% | 100.00 | 0 | 0 | 0 | 0 | 100.00 | |
RSO3% | 0 | 100.00 | 0 | 0 | 0 | 100.00 | ||
RSO5% | 0 | 0 | 100.00 | 0 | 0 | 100.00 | ||
RSO10% | 0 | 0 | 0 | 100.00 | 0 | 100.00 | ||
CAO | 0 | 0 | 0 | 0 | 100.00 | 100.00 |
Oil Admixtures | Number of Factors | Calibration Set | Validation Set | |||||||
---|---|---|---|---|---|---|---|---|---|---|
Slope | Offset | RMSEC (% v/v) | R2 | Slope | Offset | RMSECV (% v/v) | R2 | |||
RSO-1 (0–50%) | CAO-1 | 4 | 0.9836 | 0.4447 | 3.3164 | 0.9836 | 0.9703 | 0.8635 | 3.8136 | 0.9805 |
CAO-2 | 4 | 0.9969 | 0.0852 | 1.4518 | 0.9969 | 0.9901 | 0.2067 | 1.7196 | 0.9959 | |
CAO-3 | 4 | 0.9964 | 0.0978 | 1.5558 | 0.9964 | 0.9920 | 0.2268 | 1.8913 | 0.9951 | |
CAO-4 | 4 | 0.9952 | 0.1279 | 1.7785 | 0.9953 | 0.9880 | 0.3294 | 2.1492 | 0.9934 | |
CAO-5 | 4 | 0.9929 | 0.1919 | 2.1789 | 0.9929 | 0.9877 | 0.3125 | 2.3714 | 0.9916 | |
RSO-2 (0–50%) | CAO-1 | 4 | 0.9963 | 0.1011 | 1.5793 | 0.9963 | 0.9940 | 0.2421 | 1.8644 | 0.9949 |
CAO-2 | 4 | 0.9961 | 0.1043 | 1.6064 | 0.9961 | 0.9919 | 0.3026 | 1.8570 | 0.9952 | |
CAO-3 | 4 | 0.9956 | 0.1189 | 1.7146 | 0.9956 | 0.9968 | 0.1281 | 2.0092 | 0.9945 | |
CAO-4 | 4 | 0.9957 | 0.1164 | 1.6942 | 0.9957 | 0.9952 | 0.0666 | 2.0143 | 0.9939 | |
CAO-5 | 4 | 0.9934 | 0.1793 | 2.1059 | 0.9934 | 0.9947 | 0.1306 | 2.2722 | 0.9927 | |
RSO-3 (0–50%) | CAO-1 | 4 | 0.9896 | 0.2815 | 2.6387 | 0.9896 | 0.9595 | 1.3360 | 3.6806 | 0.9808 |
CAO-2 | 4 | 0.9960 | 0.1088 | 1.6406 | 0.9960 | 0.9818 | 0.4280 | 2.1897 | 0.9932 | |
CAO-3 | 4 | 0.9959 | 0.1122 | 1.6662 | 0.9959 | 0.9868 | 0.3926 | 2.3196 | 0.9927 | |
CAO-4 | 4 | 0.9942 | 0.1578 | 1.9718 | 0.9942 | 0.9841 | 0.3397 | 2.4511 | 0.9917 | |
CAO-5 | 4 | 0.9923 | 0.2082 | 2.2684 | 0.9923 | 0.9811 | 0.3962 | 2.7269 | 0.9897 |
Calibration Set | CAO | RSO |
---|---|---|
Calibration sets of CAO adulterated with RSO samples | ||
1 | 5 samples (CAO-1 to 5) | 5 samples of CAO adulterated with 1% of 3 different RSO (RSO-1 to 3) |
2 | 5 samples (CAO-1 to 5) | 5 samples of CAO adulterated with 3% of 3 different RSO (RSO-1 to 3) |
3 | 5 samples (CAO-1 to 5) | 5 samples of CAO adulterated with 5% of 3 different RSO (RSO-1 to 3) |
4 | 5 samples (CAO-1 to 5) | 5 samples of CAO adulterated with 10% of 3 different RSO (RSO-1 to 3) |
5 | 5 samples (CAO-1 to 5) | 5 samples of CAO adulterated with 15% of 3 different RSO (RSO-1 to 3) |
6 | 5 samples (CAO-1 to 5) | 5 samples of CAO adulterated with 20% of 3 different RSO (RSO-1 to 3) |
7 | 5 samples (CAO-1 to 5) | 5 samples of CAO adulterated with 25% of 3 different RSO (RSO-1 to 3) |
8 | 5 samples (CAO-1 to 5) | 5 samples of CAO adulterated with 30% of 3 different RSO (RSO-1 to 3) |
9 | 5 samples (CAO-1 to 5) | 5 samples of CAO adulterated with 35% of 3 different RSO (RSO-1 to 3) |
10 | 5 samples (CAO-1 to 5) | 5 samples of CAO adulterated with 40% of 3 different RSO (RSO-1 to 3) |
11 | 5 samples (CAO-1 to 5) | 5 samples of CAO adulterated with 45% of 3 different RSO (RSO-1 to 3) |
12 | 5 samples (CAO-1 to 5) | 5 samples of CAO adulterated with 50% of 3 different RSO (RSO-1 to 3) |
Classification sets of CAO and other oil samples | ||
13 | 49 samples | 7 different CAO, (CAO-1 to 7); 7 different RSO, (RSO-1 to 7); 7 different SBO, (SBO-1 to 7); 7 different CO, (CO-1 to 7); 7 different SFO, (SFO-1 to 7); 7 different PO, (PO-1 to 7); 7 different SO, (SO-1 to7) |
Total | 229 oil samples (180 oil blends + 49 pure oils) |
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Han, J.; Sun, R.; Zeng, X.; Zhang, J.; Xing, R.; Sun, C.; Chen, Y. Rapid Classification and Quantification of Camellia (Camellia oleifera Abel.) Oil Blended with Rapeseed Oil Using FTIR-ATR Spectroscopy. Molecules 2020, 25, 2036. https://doi.org/10.3390/molecules25092036
Han J, Sun R, Zeng X, Zhang J, Xing R, Sun C, Chen Y. Rapid Classification and Quantification of Camellia (Camellia oleifera Abel.) Oil Blended with Rapeseed Oil Using FTIR-ATR Spectroscopy. Molecules. 2020; 25(9):2036. https://doi.org/10.3390/molecules25092036
Chicago/Turabian StyleHan, Jianxun, Ruixue Sun, Xiuying Zeng, Jiukai Zhang, Ranran Xing, Chongde Sun, and Ying Chen. 2020. "Rapid Classification and Quantification of Camellia (Camellia oleifera Abel.) Oil Blended with Rapeseed Oil Using FTIR-ATR Spectroscopy" Molecules 25, no. 9: 2036. https://doi.org/10.3390/molecules25092036