Chemometric Differentiation of Sole and Plaice Fish Fillets Using Three Near-Infrared Instruments
Abstract
:1. Introduction
2. Materials and Methods
2.1. NIR Instruments
2.2. Specimens and Spectra Acquisition
2.3. Data Processing and Chemometric Modelling
2.3.1. Raw Data Pre-Treatment and Assessment
2.3.2. Data Pre-Processing
2.3.3. Exploratory Data Analysis
2.3.4. Classification Modelling
- Specificity (Spec): it is the ability to avoid false positives i.e., PL samples wrongly classified as SO.
- Sensitivity (Sens): it is the ability to avoid false negatives i.e., SO samples wrongly classified as PL.
- Non-error rate (NER): it is computed as the mean of the sensitivities (one for each class) and corresponds to the overall capability of the model to correctly classify the samples (i.e., both SO and PL).
- Accuracy (Acc): it is an estimation of the model error, and it is computed as the sum of the true positives (TP, correctly classified sole samples) and true negatives (TN, correctly classified plaice samples) divided by the total number of samples.
2.4. Software and Toolboxes
3. Results
3.1. Exploratory Analysis Results
3.2. Classification Analysis Results: Prediction of Sole (SO) vs. Plaice (PL) Samples
- SCiO dataset: 2 out of 34 (one PL predicted as SO, one SO predicted as PL).
- MicroNIR dataset: 2 out of 34 (2 PL predicted as SO).
- MPA dataset: 3 out of 33 (3 SO predicted as PL).
- SCiO dataset: mainly three areas, i.e., 740–780 nm, 875–920 nm, 1045–1070 nm.
- MicroNIR dataset: several individual peaks and bands, mostly along the wavelength range 1000–1400 nm.
- MPA dataset: several individual peaks in the intervals 1010–1060 nm, 1290–1350 nm, and 1700–1910 nm; a wide “missing” signal can be identified in the central region of the spectrum, within the range 1380–1615 nm, but this region was removed due to its high content of noisy signals.
4. Discussion
Classification Analysis Results: VIP Scores Interpretation
5. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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Manufacturer | Size (cm, W × L × H) | Weight (g) | Cost ($) | Spectral Range (nm) | Spectral Range (cm–1) | |
---|---|---|---|---|---|---|
SCiO | Consumer Physics | 1.5 × 4 × 6.5 | <50 | <5000 | 740–1070 | 13,514–9346 |
MicroNIR | VIAVI | 4.6 × 4.6 × 5 | 64 | ≈35,000 | 908–1676 | 11,013–5966 |
MPA | Bruker Optics | 37.5 × 59.3 × 26.2 | 3500 | ≈150,000 | 800–2500 | 12,500–4000 |
SCiO | MicroNIR | MPA | |||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
LVs | Spec | Sens | NER | Acc | LVs | Spec | Sens | NER | Acc | LVs | Spec | Sens | NER | Acc | |
Cal | 100 | 100 | 100 | 100 | 100 | 100 | 100 | 100 | 100 | 100 | 100 | 100 | |||
CV | 7 | 100 | 97.1 | 98.5 | 98.5 | 11 | 94.1 | 96.9 | 95.5 | 95.4 | 11 | 91.2 | 93.5 | 92.4 | 92.3 |
Test | 94.1 | 94.1 | 94.1 | 94.1 | 100 | 89.5 | 94.7 | 94.1 | 100 | 84.2 | 92.1 | 90.9 |
SCiO | MicroNIR | MPA | |
---|---|---|---|
Water | 760 nm, 3rd overtone 1450 nm, 2nd overtone [22,24,44] | 1440 nm, 2nd overtone [22,24,44] | 1380–1615 nm, 2nd overtone |
Proteins | 875–920 nm 1045–1070 nm | 1050 nm, RNH2 3rd overtone | 1010–1060 nm, RNH2 3rd overtone 1600 nm, N–H 1st and 2nd overtones + N–H and C=O combination band [24,44] |
Aliphatic | / | 1120 nm, 1150 nm 1210 nm C–H stretching 2nd overtone [22,44] 1360 nm C–H stretching 2nd overtone | 1700–1910 nm 1st overtone C–H stretching [44] of fats [24] |
Other | <750 nm, related to red adsorption | 1310 nm-unassigned | 1290–1350 nm-unassigned |
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Cavallini, N.; Pennisi, F.; Giraudo, A.; Pezzolato, M.; Esposito, G.; Gavoci, G.; Magnani, L.; Pianezzola, A.; Geobaldo, F.; Savorani, F.; et al. Chemometric Differentiation of Sole and Plaice Fish Fillets Using Three Near-Infrared Instruments. Foods 2022, 11, 1643. https://doi.org/10.3390/foods11111643
Cavallini N, Pennisi F, Giraudo A, Pezzolato M, Esposito G, Gavoci G, Magnani L, Pianezzola A, Geobaldo F, Savorani F, et al. Chemometric Differentiation of Sole and Plaice Fish Fillets Using Three Near-Infrared Instruments. Foods. 2022; 11(11):1643. https://doi.org/10.3390/foods11111643
Chicago/Turabian StyleCavallini, Nicola, Francesco Pennisi, Alessandro Giraudo, Marzia Pezzolato, Giovanna Esposito, Gentian Gavoci, Luca Magnani, Alberto Pianezzola, Francesco Geobaldo, Francesco Savorani, and et al. 2022. "Chemometric Differentiation of Sole and Plaice Fish Fillets Using Three Near-Infrared Instruments" Foods 11, no. 11: 1643. https://doi.org/10.3390/foods11111643