In this study, the Fourier transform mid-infrared (FT-MIR) spectroscopy technique combined with chemometrics methods was used to monitor adulteration of honey with sugar syrup. Spectral data were recorded from a wavenumber region of 4000600cm−1, with a spectral resolution of 4cm−1. Principal component analysis (PCA) and hierarchical cluster analysis (HCA) were used for qualitative analysis to discriminate between adulterated and nonadulterated honey. For quantitative analysis, we used partial least-squares regression (PLS-R) and the support vector machine (SVM) to develop optimal calibration models. The use of PCA shows that the first two principal components account for 96 of the total variability. PCA and HCA allow classifying the dataset into two groups: adulterated and unadulterated honey. The use of the PLS-R and SVM-R calibration models for the quantification of adulteration shows high-performance capabilities represented by a high value of correlation coefficients R2 greater than 98 and 95 with lower values of root mean square error (RMSE) less than 1.12 and 1.85 using PLS-R and SVM-R, respectively. Our results indicate that FT-MIR spectroscopy combined with chemometrics techniques can be used successfully as a simple, rapid, and nondestructive method for the quantification and discrimination of adulterated honey.
11 July 2020 in Journal of Analytical Methods in Chemistry
One of the most important issues in the field of quality assurance of olive oils is the detection of the freshness of olive oil. In this study, 400 nm laser-induced fluorescence spectroscopy was used with supervised and unsupervised multivariate analysis methods to develop a rapid method able to discriminate between freshly produced olive oils and oil that has been stored for a period of time ranging from 12 to 24 months. The fluorescence spectral data were firstly processed by the PCA. This method shows strong discrimination of the three oil classes using the first three components which present 96% of the total variability of the initial data, and then supervised classification models were constructed using the discriminant partial least square regression PLS-DA, support vector machine SVM, and linear discriminant analysis LDA. These methods show a high capacity in the classification of the three classes of olive oil. The validation of these classification models by external samples shows a high capacity of classification of the samples in their class with an accuracy of 100%. This study demonstrated the feasibility of the fluorescence spectroscopy fingerprint (routine technique) for the classification of olive oils according to their freshness and storage time.
One of the significant challenges in the food industry is the determination of the geographical origin, since products from different regions can lead to great variance in raw milk. Therefore, monitoring the origin of raw milk has become very relevant for producers and consumers worldwide. In this exploratory study, midinfrared spectroscopy combined with machine learning classification methods was investigated as a rapid and nondestructive method for the classification of milk according to its geographical origin. The curse of dimensionality makes some classification methods struggle to train efficient models. Thus, principal component analysis (PCA) has been applied to create a smaller set of features. The application of machine learning methods such as PLS-DA, PCA-LDA, SVM, and PCA-SVM demonstrates that the best results are obtained using PLS-DA, PCA-LDA, and PCA-SVM methods which show a correct classification rate (CCR) of 100% for PLS-DA and PCA-LDA and 94.95% for PCA-SVM, whereas the application of SVM without feature extraction gives a low CCR of 66.67%. These findings demonstrate that FT-MIR spectroscopy, combined with machine learning methods, is an efficient and suitable approach to classify the geographical origins of raw milk.
Eucalyptus essential oil is widely valued for its therapeutic properties and extensive commercial applications, with its chemical composition significantly influenced by species variety, geographical origin, and environmental conditions. This study aims to develop a reliable method for identifying the geographical origin and variety of eucalyptus oil samples through the application of advanced analytical techniques combined with chemometric methods. Essential oils from Eucalyptus globulus and Eucalyptus camaldulensis were analyzed using Gas Chromatography–Flame Ionization Detection (GC–FID) and Fourier Transform Infrared (FTIR) Spectroscopy. Chemometric analyses, including Orthogonal Partial Least Squares-Discriminant Analysis (O2PLS-DA) and Hierarchical Cluster Analysis (HCA), were utilized to classify the oils based on their volatile compound profiles. Notably, O2PLS-DA was applied directly to the raw FTIR data without additional spectral processing, showcasing its robustness in handling unprocessed data. For geographical origin determination, the GC–FID model achieved a Correct Classification Rate (CCR) of 100%, with 100% specificity and 100% sensitivity for both calibration and validation sets. FTIR spectroscopy achieved a CCR of 100%, specificity of 100%, and sensitivity of 100% for the calibration set, while the validation set yielded a CCR of 95.83%, specificity of 99.02%, and sensitivity of 94.44%. In contrast, the analysis based on species variety demonstrated 100% accuracy across all metrics CCR, specificity, and sensitivity—for both calibration and validation using both techniques. These findings underscore the effectiveness of volatile and infrared spectroscopy profiling for quality control and authentication, providing robust tools for ensuring the consistency and reliability of eucalyptus essential oils in various industrial and therapeutic applications.
25 May 2021 in Journal of the Science of Food and Agriculture