Application of ATR-FT-MIR for Tracing the Geographical Origin of Honey Produced in the Maltese Islands
Abstract
:1. Introduction
2. Materials and Methods
2.1. Honey Samples
2.2. FTIR Method
2.3. Chemometric Analysis
2.3.1. Variable Selection
2.3.2. Statistical Analysis
3. Results and Discussion
3.1. Geographical Classification Using ATR-FT-MIR
3.1.1. PLS-DA and Variable Selection
3.1.2. Other Models
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
References
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Whole Spectrum | Fingerprint Region | ||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|
Variable Selection | Pre-Treatment | #F | LOOCV | ERV | #F | LOOCV | ERV | ||||
Accuracy % | RMSE | Accuracy % | RMSE | Accuracy % | RMSE | Accuracy % | RMSE | ||||
None | MF | 14 | 100.0 | 0.096 | 95.7 | 0.201 | 10 | 100.0 | 0.157 | 98.6 | 0.177 |
1st DSG | 5 | 100.0 | 0.120 | 92.8 | 0.248 | 8 | 100.0 | 0.100 | 97.1 | 0.192 | |
2nd DSG | 4 | 98.6 | 0.166 | 95.7 | 0.261 | 6 | 100.0 | 0.184 | 97.1 | 0.257 | |
DR | 14 | 100.0 | 0.170 | 97.1 | 0.205 | 10 | 97.1 | 0.214 | 100.0 | 0.218 | |
DT | 9 | 100.0 | 0.199 | 92.8 | 0.258 | 10 | 100.0 | 0.123 | 98.6 | 0.123 | |
MSC | 12 | 100.0 | 0.101 | 95.7 | 0.211 | 11 | 100.0 | 0.101 | 98.6 | 0.170 | |
OSC | 13 | 100.0 | 0.110 | 95.7 | 0.197 | 9 | 100.0 | 0.186 | 100.0 | 0.193 | |
QN | 8 | 100.0 | 0.135 | 94.2 | 0.222 | 9 | 100.0 | 0.111 | 97.1 | 0.186 | |
SNV | 10 | 100.0 | 0.101 | 98.6 | 0.210 | 10 | 100.0 | 0.126 | 100.0 | 0.169 | |
SNVDT | 9 | 100.0 | 0.160 | 97.2 | 0.219 | 10 | 100.0 | 0.114 | 100.0 | 0.167 | |
VIP | MF | 15 | 100.0 | 0.047 | 100.0 | 0.111 | 12 | 100.0 | 0.106 | 97.1 | 0.171 |
1st DSG | 6 | 100.0 | 0.089 | 97.1 | 0.168 | 10 | 100.0 | 0.069 | 97.1 | 0.181 | |
2nd DSG | 4 | 98.6 | 0.166 | 95.7 | 0.215 | 8 | 100.0 | 0.148 | 97.1 | 0.224 | |
DR | 14 | 100.0 | 0.167 | 98.6 | 0.193 | 11 | 97.1 | 0.204 | 100.0 | 0.220 | |
DT | 14 | 100.0 | 0.034 | 94.2 | 0.259 | 13 | 100.0 | 0.072 | 100.0 | 0.163 | |
MSC | 14 | 100.0 | 0.095 | 97.1 | 0.181 | 14 | 100.0 | 0.060 | 100.0 | 0.170 | |
OSC | 13 | 100.0 | 0.104 | 95.7 | 0.178 | 12 | 100.0 | 0.111 | 95.7 | 0.174 | |
QN | 13 | 100.0 | 0.025 | 95.7 | 0.187 | 10 | 100.0 | 0.091 | 97.1 | 0.180 | |
SNV | 10 | 100.0 | 0.176 | 98.6 | 0.183 | 10 | 100.0 | 0.125 | 100.0 | 0.164 | |
SNVDT | 12 | 100.0 | 0.073 | 94.2 | 0.227 | 10 | 100.0 | 0.111 | 100.0 | 0.163 | |
SLCDA | MF | 15 | 100.0 | 0.089 | 100.0 | 0.133 | 15 | 100.0 | 0.094 | 100.0 | 0.149 |
1st DSG | 15 | 100.0 | 0.047 | 100.0 | 0.152 | 15 | 100.0 | 0.077 | 97.1 | 0.201 | |
2nd DSG | 14 | 100.0 | 0.048 | 97.1 | 0.163 | 15 | 100.0 | 0.100 | 98.6 | 0.155 | |
DR | 15 | 100.0 | 0.136 | 94.2 | 0.301 | 15 | 100.0 | 0.138 | 100.0 | 0.188 | |
DT | 15 | 100.0 | 0.041 | 98.6 | 0.122 | 15 | 100.0 | 0.064 | 100.0 | 0.148 | |
MSC | 15 | 100.0 | 0.089 | 100.0 | 0.128 | 15 | 100.0 | 0.076 | 100.0 | 0.139 | |
OSC | 15 | 100.0 | 0.102 | 100.0 | 0.144 | 15 | 100.0 | 0.109 | 98.6 | 0.141 | |
QN | 15 | 100.0 | 0.042 | 100.0 | 0.087 | 15 | 100.0 | 0.077 | 100.0 | 0.085 | |
SNV | 15 | 100.0 | 0.047 | 100.0 | 0.111 | 10 | 100.0 | 0.126 | 100.0 | 0.169 | |
SNVDT | 15 | 100.0 | 0.048 | 100.0 | 0.104 | 15 | 100.0 | 0.062 | 100.0 | 0.145 |
Data Pre-Treatment Method | Whole | Fingerprint | ||
---|---|---|---|---|
Accuracy (%) | RMSE | Accuracy (%) | RMSE | |
Median Filter | 97.1 | 0.1299 | 97.1 | 0.1761 |
First Derivative (SG) | 92.8 | 0.2429 | 95.7 | 0.1717 |
Second Derivative (SG) | 95.7 | 0.2186 | 95.7 | 0.1915 |
Deresolve | 100.0 | 0.0609 | 98.6 | 0.0791 |
Detrending | 95.6 | 0.1648 | 97.1 | 0.1713 |
MSC | 98.6 | 0.1019 | 98.6 | 0.1198 |
OSC | 97.1 | 0.1604 | 97.1 | 0.1636 |
Quantile Normalise | 95.7 | 0.1940 | 95.7 | 0.1958 |
SNV | 98.6 | 0.1142 | 98.6 | 0.1175 |
SNVDT | 98.6 | 0.0841 | 97.1 | 0.1427 |
Data Pre-Treatment Method | Whole | Fingerprint | ||||
---|---|---|---|---|---|---|
LDA | SVM | LDA | SVM | |||
Accuracy (%) | RMSE | Accuracy (%) | Accuracy (%) | RMSE | Accuracy (%) | |
Median Filter | 100.0 | 0.0003 | 100.0 | 98.6 | 0.0842 | 98.6 |
First Derivative (SG) | 100.0 | 0.0000 | 100.0 | 100.0 | 0.0128 | 97.1 |
Second Derivative (SG) | 100.0 | 0.0000 | 100.0 | 98.6 | 0.1095 | 92.8 |
Deresolve | 98.6 | 0.1205 | 95.7 | 100.0 | 0.0658 | 98.6 |
Detrending | 100.0 | 0.0000 | 100.0 | 100.0 | 0.0000 | 98.6 |
MSC | 100.0 | 0.0003 | 100.0 | 100.0 | 0.0000 | 98.6 |
OSC | 100.0 | 0.0125 | 100.0 | 100.0 | 0.0003 | 100.0 |
Quantile Normalise | 100.0 | 0.0000 | 100.0 | 100.0 | 0.0000 | 98.6 |
SNV | 100.0 | 0.0000 | 100.0 | 100.0 | 0.0000 | 100.0 |
SNVDT | 100.0 | 0.0000 | 100.0 | 100.0 | 0.0000 | 98.6 |
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Formosa, J.P.; Lia, F.; Mifsud, D.; Farrugia, C. Application of ATR-FT-MIR for Tracing the Geographical Origin of Honey Produced in the Maltese Islands. Foods 2020, 9, 710. https://doi.org/10.3390/foods9060710
Formosa JP, Lia F, Mifsud D, Farrugia C. Application of ATR-FT-MIR for Tracing the Geographical Origin of Honey Produced in the Maltese Islands. Foods. 2020; 9(6):710. https://doi.org/10.3390/foods9060710
Chicago/Turabian StyleFormosa, Jean Paul, Frederick Lia, David Mifsud, and Claude Farrugia. 2020. "Application of ATR-FT-MIR for Tracing the Geographical Origin of Honey Produced in the Maltese Islands" Foods 9, no. 6: 710. https://doi.org/10.3390/foods9060710