Table 5.
Sample | Investigated Parameter | Concentration Range | Chemometrics Data | References | ||
---|---|---|---|---|---|---|
Pre-Treatment, Regression | R2 | Root Mean Square Error | ||||
Milk | Sugar—lactose, % | 2.06–5.06 | RS, PLS | 0.83 | 0.26 | [146] |
3.30–4.29 | 1st der., PLS | 0.90 | 0.11 | [147] | ||
2.92–5.22 | transmittance, 1st der., OSC, RiPLS | 0.883 | 0.115 | [148] | ||
3.9–5.2 | normalization, PLS | 0.92 | 0.06 | [149] | ||
3.09–4.70 | ANN | 0.8822 | 0.238 | [163] | ||
3.98–5.1 | MSC, 1st der., OSC, Rt-RiPLS | 0.689 | 0.077 | [152] | ||
Log base, 1st der., OSC, PH-RiPLS | 0.644 | 0.092 | ||||
raw | 3.97–4.89 | SGS, PLS | 0.78 | 0.11 | [153] | |
homogenized | SGS, SNV, PLS | 0.71 | 0.12 | |||
4.14–5.25 | RS, PLS | 0.13 | 0.87 (RPD) | [155] | ||
Sugar, % | SNV, MC, PDS, PLS | [165] | ||||
sucrose | 14.20–43.69 | 0.7973 | 5.04 | |||
lactose | 0.000–38.99 | 0.9411 | 4.22 | |||
Lactose free, % | 0–1 | 1st der., SNV, PLS | 0.79 | 0.1984 | [164] | |
Carbohydrate, g/100 mL | 2.5–13.5 | SGS, 2nd der., PLS | 0.883 | 0.639 | [154] | |
Fat, % | 1.01–7.39 | RS, PLS | 0.95 | 0.25 | [146] | |
5.66–11.06 | 1st der., PLS | 0.73 | 0.66 | [147] | ||
2.72–7.94 | transmittance, SNV, GA-PLS | 0.997 | 0.043 | [148] | ||
0.7–12.3 | normalization, PLS | 0.998 | 0.09 | [149] | ||
Gerber Röse-Gottlieb |
0.13–7.25 | PLS | 0.98 | 0.232 | [158] | |
0.992 | 0.148 | |||||
0.1–3.7 | SGS, 2nd der., PLS | 0.969 | 0.216 | [154] | ||
0–3.9 | 1st der., MSC, PLS | 0.98 | 0.002 | [157] | ||
1.54–6.25 | DT, 2nd der., OSC, PH-RiPLS | 0.989 | 0.078 | [152] | ||
DT, 2nd der., Rt-FiPLS | 0.989 | 0.083 | ||||
raw homogenized |
2.09–5.76 | SGS, PLS | 0.97 | 0.18 | [153] | |
SGS, SNV, PLS | 0.99 | 0.11 | ||||
1.03–5.02 | MC, SNV, SGS, SSDL | 0.95 | 0.22 | [161] | ||
1.86–5.96 | DT, PLS | 0.93 | 3.73 (RPD) | [155] | ||
Milk | Fatty acids, mg/mL | SGS, SNV, SVM | [174] | |||
C4:0 | 0.08–0.325 | 0.87 | 0.03 | |||
C6:0 | 0.004–0.21 | 0.83 | 0.02 | |||
C14:0 | 0.019–1.208 | 0.82 | 0.11 | |||
C16:0 | 0.044–3.381 | 0.74 | 0.35 | |||
C18:1C9 | 0.048–1.75 | 0.84 | 0.12 | |||
SFA | 0.128–6.553 | 0.83 | 0.59 | |||
MUFA | 0.056–2.128 | 0.87 | 0.15 | |||
SCFA | 0.011–0.505 | 0.88 | 0.04 | |||
BCFA | 0.004–0.141 | 0.83 | 0.01 | |||
PUFA. mg/g: C18:2 | 0.63–59.88 | 2nd der., MSC, MPLS | 0.58 | 8.40 | [169] | |
C22:6 | 0.05–0.16 | 0.75 | 0.01 | |||
ω6 | 0.63–60.09 | 0.58 | 8.41 | |||
ω6/ω3 | 3.51–12.34 | 0.76 | 0.94 | |||
Total fatty acid, % | SNV, DT, MSC, 1st der., MPLS | [170] | ||||
SFA | 36.74–78.06 | 0.96 | 2.03 | |||
MUFA | 17.73–50.65 | 0.81 | 4.13 | |||
PUFA | 2.02–14.08 | 0.80 | 0.95 | |||
trans FA | 0.35–29.05 | 0.84 | 2.95 | |||
SFA | 59.7–89.5 | 1st der., PLS | 0.72 | 1.86 | [171] | |
MUFA | 9.30–38.2 | 2nd der., SNV, PLS | 0.83 | 2.12 | ||
PUFA | 1.21–7.20 | 2nd der., SNV, PLS | 0.55 | 1.97 | ||
SCFA | 2.97–9.87 | 2nd der., SNV, PLS | 0.87 | 2.25 | ||
MCFA | 40.61–71.77 | 2nd der., SNV, PLS | 0.43 | 1.79 | ||
Acidity, °T | 16.0–24.8 | ANN | 0.9709 | 0.380 | [163] | |
pH | 6.50–7.01 | 1st der., PLS | 0.42 | 0.105 | [147] | |
Protein, % | 2.77–4.38 | RS, PLS | 0.72 | 0.15 | [146] | |
5.30–7.00 | 1st der., PLS | 0.84 | 0.21 | [147] | ||
2.65–5.01 | reflectance, 1st der., OSC, GA-PLS | 0.959 | 0.099 | [148] | ||
2.4–4.0 | normalization, PLS | 0.98 | 0.05 | [149] | ||
6.45–6.95 | ANN | 0.9645 | 0.0202 | [163] | ||
2.61–4.77 | SNV, PLS | 0.77 | 1.84 (RPD) | [155] | ||
Milk | raw | 2.88–3.59 | MSC, PLSR-UVE-PLS | 0.92 | 0.06 | [151] |
homogenized | 0.96 | 0.04 | ||||
2.63–4.34 | SNV, 1st der., OSC, PH-FiPLS | 0.947 | 0.08 | [152] | ||
DT, 2nd der., OSC, Rt-RiPLS | 0.894 | 0.11 | ||||
raw | 2.94–4.33 | SGS, PLS | 0.85 | 0.16 | [153] | |
homogenized | SGS, SNV, PLS | 0.90 | 0.13 | |||
1.3–7 | SGS, 2nd der., PLS | 0.883 | 0.290 | [154] | ||
Casein, % | 2.03–3.70 | DT, PLS | 0.70 | 1.80 (RPD) | [155] | |
Urea, mg/100 mL | 10.41–15.73 | RS, PLS | 0.53 | 1.5 | [146] | |
13.6–33.2 | 1st der., OSC, GA, PLS, RiPLS | n.i | RPD < 1.2 | [148] | ||
12.1–38.0 | normalization, PLS | 0.82 | 1.932 | [149] | ||
5.10–31.70 | SNV, DT, PLS | 0.43 | 1.18 (RPD) | [155] | ||
Freezing pont, °C | −0.66–−0.47 | 1st der., PLS | 0.90 | 0.02 | [147] | |
−0.503–−0.548. | SNV, PLS | 0.22 | 0.64 (RPD) | [155] | ||
SCC, cell/μL | 7.00–2837 | RS, PLS | 0.03 | 0.22 (RPD) | ||
Log SCC, log cells/mL | 3.78–5.84 | RS, PLS | 0.68 | 0.28 | [146] | |
3.5–6.0 | normalization, PLS | 0.85 | 0.18 | [149] | ||
Fat:protein ratio | 0.82–3.43 | DT | 0.71 | 1.74 | [155] | |
Total solid content, % | 9.42–15.12 | [153] | ||||
raw | SGS, PLS | 0.96 | 0.28 | |||
homogenized | SGS, SNV, PLS | 0.98 | 0.21 | |||
Carotenoids, μg/mL; cis9-β-carotene, β-cryptoxanthin | 0.11–1.04 | SNV, MSC, DT, 1st der., 2nd der., MPLS | >0.50 | 0.01 | [170] | |
Vitamin A, μg retinol/mL | 0.03–1.33 | SNV, DT, MSC, MPLS | 0.34 | 0.15 | ||
Density kg/m3 | 1029.66–1039.94 | 1st der., PLS | 0.88 | 1.07 | [147] | |
Fat free dry matter, % | 9.53–12.45 | 1st der., PLS | 0.90 | 0.29 | ||
Ash, % | 0.87–1.14 | 1st der., PLS | 0.89 | 0.03 | ||
Contamination | 4–9 log cfu/mL | MC, SNV, PLS | [223] | |||
E. coli | 0.936 | 0.284 | ||||
P. aeruginosa | 0.597 | 0.0202 | ||||
E. coli + P. aeruginosa | 0.8822 | 0.584 | ||||
Milk | Progesterone (real-time), ng/mL | 0.10–12.61 | 2nd der., PLS | 0.93 | 1.06 | [224] |
3.92–21.37 | 0.89 | 1.22 | ||||
0.03–10.78 | 0.93 | 0.92 | ||||
0.01–4.86 | 0.91 | 0.43 | ||||
Classification | adulterated | MSC, 2nd der., DPLS | Accuracy: 100% | [197] | ||
lactose (no or yes) | PLS-DA | Sensitivity: 90% or 100% Specificity: 100% or 90% |
[154] | |||
E. coli, P. aeruginisa | MC, SNV, PLS-DA | correct prediction 99% | [223] | |||
Salmonella sp. | 2nd der., PLS-DA | Sensitivity: 100% Specificity: 100% |
[225] | |||
geographical origin | SGS, FUDT, kNN | accuracy 98.67% | [220] | |||
geographical origin | SGS, SNV, kNN, FD-LDA | accuracy: 97.33% | [221] | |||
water | EPO, RSDE | accuracy: 98%; reliability: 98% | [200] | |||
water | RS, DTC or RFC, or kNN | accuracy: 100% | [201] | |||
melamine | RS, PLS-DA | Sensitivity and specificity 100% | [214] | |||
melamine | OPLS-DA | R2X: 0.996, R2Y: 0.964, Q2: 0.933 | [217] | |||
Adulteration with water, % | 1–97 | MSC, PLS | 0.997 | 2.159 | [197] | |
0–70 | MC, SNV, SGS, SSDL | 0.80 | 0.12 | [161] | ||
1–30 | RS, BRT | 0.95 | 0.58 | [200] | ||
0–40% | RS, kNN, SVML | 0.999 | 0.353 | [201] | ||
Adulteration with melamine, % | 0.001–0.29 | OCPLS | Sensitivity. specificity, accuracy 90%.; 88%; 89% |
[215] | ||
1–20 | SNV, PLS | 0.98–2.99 matrix dependent | [217] | |||
Adulteration with whey, % | 2.15–48.40 | MSC, PLS | 0.999 | 0.244 | [197] | |
0.01–0.29 | 1st der., UVE-PLS | 0.97 | 0.015 | [214] | ||
Flavoured milk drink | Moisture, % | 77.13–80.83 | 2nd der., PLS and ANN | 0.982; 0.989 | 0.778; 0.744 | [168] |
Water activity | 0.963–0.982 | 2nd der., PLS and ANN | 0.996; 0.984 | 0.764; 0.725 | ||
Total soluble solids, % | 19.16–22.86 | 2nd der., PLS and ANN | 0.687; 0.946 | 0.727; 0.754 | ||
pH | 6.35–6.66 | 2nd der., PLS and ANN | 0.955; 0.955 | 0.723; 0.711 | ||
Colour, BI | 15.915–19.630 | 2nd der., PLS and ANN | 0.988; 0.978 | 0.703; 0.713 | ||
Milk brands | Classification | MSC, EELM | accuracy: 100% | [226] | ||
SGS, PCA, LDA, iNLDA, FiNLDA, KNN | accuracy: 74.7% (LDA), 88% (iNLDA), 94.76% (FiNLDA) | [227] | ||||
Human milk | Moisture, % | 83.18–94.26 | 2nd der., PLS | 0.90 | 0.5149 | [167] |
Fat, g/100 mL | 1.56–6.37 | 2nd der., PLS | 0.70 | 0.4274 | ||
0.51–5.30 | RS, PLS | 0.841 | 0.51 | [228] | ||
Ash | 0.09–0.40 | 2nd der., PLS | 0.64 | 0.0507 | [167] | |
Protein, g/100 mL | 0.45–5.04 | 2nd der., PLS | 0.70 | 0.3581 | ||
0.27–2.50 | RS, PLS | 0.512 | 0.21 | [228] | ||
Carbohydrates, g/100 mL | 2.73–10.63 | 2nd der., PLS | 0.70 | 0.6063 | [167] | |
2.34–8.80 | RS, PLS | 0.741 | 1.35 | [228] | ||
Total solid content, g/100 mL | 3.27–14.60 | RS, PLS | 0.686 | 2.42 | ||
Energy, kcal/100 mL | 33.80–87.04 | 2nd der., PLS | 0.83 | 3.7848 | [167] | |
15.60–86.00 | SNV, 1st der., PLS | 0.830 | 9.60 | [228] | ||
Classification—lactation phases | Colostrum Transition Mature |
MSC, PLS-DA | Sensitivity, Specificity 87.5%, 90.3% 56.3%, 71.9% 93.8%, 93.8% |
[167] | ||
Bovine colostrum adulterated milk | MSC, PLS-DA | Sensitivity, Specificity, Accuracy 84.62%, 100%, 94.74% |
[210] | |||
Infant formula | Moisture, % | 2–13 | PLS | 0.99 | 0.62 | [229] |
Storage time, months | 0–3–6–12 | PLS | 0.97 | n.i. | [230] | |
FAST index | 1.88–21.54 | RS, PLS | 0.78 | n.i. | ||
Soluble protein, % | 0.77–5.29 | RS, PLS | 0.86 | n.i. | ||
Fat, % | 24.94–28.65 | SNV, PLS | 0.74 | n.i. | ||
SFF, % | 0.02–2.60 | PLS | 0.88 | n.i. | ||
Classification | PLS-DA | accuracy 100% | ||||
Adulteration with melamine, μg/g | 17.3–2000 | 1st der., MC-OSC, ANN, SVR, LS-SVM | n.i. | 6.1 | [212] | |
Milk powder | Carbohydrates, % | 50.73–60.28 | SNV, LS-SVM | 0.982 | 0.384 | [231] |
Fat, % | 15.93–21.80 | RS, LS-SVM | 0.981 | 0.247 | ||
Protein, % | 14.82–18.14 | SNV, LS-SVM | 0.984 | 0.148 | ||
18.0–32.6 | SNV, MRMR-PLS | 0.99 | 0.37 | [232] | ||
Moisture, % | 4–10 | MC, 2nd der., PLS | 0.9822 | 0.1730 | [166] | |
Mineral content, Ca-mg/100 g | 243.1–722.8 | SGS, SNV, UVE-SPA-LS-SVM | 0.85 | 0.18 | [178] | |
Classification | brands | MRMR-PLS-DA | accuracy: 100% | [232] | ||
Milk powder | Adulteration, % | 14.6–2000 | 1st der., MC-OSC, Poly-PLS | n.i. | 0.28 | [212] |
melamine, μg/g | ||||||
corn starch wheat flour |
0–30 | MSC, 1st der., PLS 2nd der., MSC, PLS |
0.74 0.82 |
9.70 8.38 |
[202] | |
Goat milk | Lactose, % | 2.06–5.06 | RS, PLS | 0.935 | 0.050 | [175] |
Fat, % | 2.27–5.61 | RS, PLS | 0.924 | 0.154 | [175] | |
0.9–4.2 | 13MM-LBC, iSPA-PLS | 0.96 | 0.20 | [209] | ||
Protein, % | 2.33–3.41 | RS, PLS | 0.888 | 0.111 | [175] | |
2.95–5.03 | 13MM-BO-LBC, PLS | 0.96 | 0.047 | [209] | ||
Total solid content, % | 10.30–13.76 | RS, PLS | 0.899 | 0.334 | [175] | |
Fat free solids, % | 7.19–8.81 | RS, PLS | 0.812 | 0.191 | ||
Freezing point, °C | −0.599–−0.527 | RS, PLS | 0.833 | 0.005 | ||
Titratable acidity, °SH | 4.60–8.20 | RS, PLS | 0.878 | 0.469 | ||
pH | 5.69–6.92 | RS, PLS | 0.703 | 0.076 | ||
Adulteration, | 1.0154–100 | SPA, PLS | 0.9955 | 3.66 | [209] | |
cow milk, % | ||||||
water, urea, bovine, whey or cow milk | 0–20% | 1st der., MC, SNC, PLS-DA | for authentication and adulteration sensitivity and specificity 100% | [199] | ||
Classification | adulterated | PLS-DA | accuracy: 100% | [209] | ||
Goat milk powder | Adulteration, % | [207] | ||||
urea | 0.5–10 | area normalization, PLS | 0.992 | 0.321 | ||
melamine | 0.01–10 | Area normalization, PLS | 1.000 | 0.042 | ||
starch | 1–30 | smoothing, PLS | 1.000 | 0.139 | ||
Goat dairy products | adulteration with cow milk, % | 10; 15; 20% | MC, 2nd der., PLS-DA with iPLS | Sensitivity, specificity 100% for both sample groups |
[211] | |
yoghurt | ||||||
cheese | ||||||
cheese | 0–50 | PLS | 0.783 | 2.454 | [183] | |
Camel milk | Adulteration with cow milk, % | 0–20 | 1st der., PLS | 0.92 | 1.32 | [208] |
Classification | pure or adulterated | PLS-DA | 0.97 | 0.08 | ||
Plant milk | Sugar, % (glucose) | 0.5–7.6 | 1st der, MNSN, iPLS | 0.84 | 0.98 |