Using color histograms and SPA-LDA to classify bacteria.

In this work, a new approach is proposed to verify the differentiating characteristics of five bacteria (Escherichia coli, Enterococcus faecalis, Streptococcus salivarius, Streptococcus oralis, and Staphylococcus aureus) by using digital images obtained with a simple webcam and variable selection by the Successive Projections Algorithm associated with Linear Discriminant Analysis (SPA-LDA). In this sense, color histograms in the red-green-blue (RGB), hue-saturation-value (HSV), and grayscale channels and their combinations were used as input data, and statistically evaluated by using different multivariate classifiers (Soft Independent Modeling by Class Analogy (SIMCA), Principal Component Analysis-Linear Discriminant Analysis (PCA-LDA), Partial Least Squares Discriminant Analysis (PLS-DA) and Successive Projections Algorithm-Linear Discriminant Analysis (SPA-LDA)). The bacteria strains were cultivated in a nutritive blood agar base layer for 24 h by following the Brazilian Pharmacopoeia, maintaining the status of cell growth and the nature of nutrient solutions under the same conditions. The best result in classification was obtained by using RGB and SPA-LDA, which reached 94 and 100 % of classification accuracy in the training and test sets, respectively. This result is extremely positive from the viewpoint of routine clinical analyses, because it avoids bacterial identification based on phenotypic identification of the causative organism using Gram staining, culture, and biochemical proofs. Therefore, the proposed method presents inherent advantages, promoting a simpler, faster, and low-cost alternative for bacterial identification.

Tea authentication and determination of chemical constituents using digital image-based fingerprint signatures and chemometrics.

Tea (Camellia sinensis) fraud has been frequently identified and involves tampering with the labelling of inferior products or without geographical origin certification and even mixing them with superior quality teas to mask an adulteration. Consequently, economic losses and health damage to consumers are observed. Thus, a Chemometrics-assisted Color Histogram-based Analytical System (CACHAS) was employed a simple, cost-effective, reliable, and green analytical tool to screen the quality of teas. Data-Driven Soft Independent Modeling of Class Analogy was used to authenticate their geographical origin and category simultaneously, recognizing correctly all Argentinean and Sri Lankan black teas and Argentinean green teas. For the determination of moisture, total polyphenols, and caffeine, Partial Least Squares obtained satisfactory predictive abilities, with values of root mean squared error of prediction (RMSEP) of 0.50, 0.788, and 0.25 mg kg-1, rpred of 0.81, 0.902, and 0.81, and relative error of prediction (REP) of 6.38, 9.031, and 14.58%., respectively. CACHAS proved to be a good alternative tool for environmentally-friendly non-destructive chemical analysis.

Variable selection in the chemometric treatment of food data: A tutorial review.

Food analysis covers aspects of quality and detection of possible frauds to ensure the integrity of the food. The arsenal of analytical instruments available for food analysis is broad and allows the generation of a large volume of information per sample. But this instrumental information may not yet give the desired answer; it must be processed to provide a final answer for decision making. The possibility of discarding non-informative and/or redundant signals can lead to models of better accuracy, robustness, and chemical interpretability, in line with the principle of parsimony. Thus, in this tutorial review, we cover aspects of variable selection in food analysis, including definitions, theoretical aspects of variable selection, and case studies showing the advantages of variable selection-based models concerning the use of a wide range of non-informative and redundant instrumental information in the analysis of food matrices.

Scores selection via Fisher's discriminant power in PCA-LDA to improve the classification of food data.

This paper proposes an adaptation of the Fisher's discriminability criterion (named here as discriminant power, DP) for choosing principal components (obtained from Principal Component Analysis, PCA), which will be used to construct supervised Linear Discriminant Analysis (LDA) models for solving classification problems of food data. The proposed PCA-DP-LDA algorithm was then applied to (i) simulated data, (ii) classify soybean oils with respect to expiration date, and (iii) identify cachaça adulteration with wood extracts that simulated aging. For comparison, PCA-DP-LDA was evaluated against conventional PCA-LDA (based on explained variance) and Partial Least Squares-Discriminant Analysis (PLS-DA). Among them, PCA-DP-LDA achieved the most parsimonious and interpretable results, with similar or better classification performance. Therefore, the new algorithm can be considered a good alternative to the already well-established discriminant methods, being potentially applied where the discriminability of the principal components may not follow the same behavior of the explained variance.

Simultaneous identification of the wood types in aged cachaças and their adulterations with wood extracts using digital images and SPA-LDA.

Cachaça is a sugarcane-derived alcoholic spirit exclusively produced in Brazil. It can be aged in barrels made from different types of wood, similar to other distilled beverages. The choice of wood type promotes different effects on color, flavor, aroma and consequently the price of cachaça, favoring fraudulent activities. This paper proposes the simultaneous identification of different wood types in aged cachaças and their adulterations with wood extracts using a digital-image based methodology employing color histograms obtained from digital images associated with pattern recognition methods, without any sample preparation step. Linear Discriminant Analysis, coupled with Successive Projections Algorithm for variable selection (SPA-LDA), obtained the best results, reaching accuracy, sensitivity, and specificity rates higher than 90.0% in the test set. This can be a rapid and reliable tool to prevent fraudulent labeling; ensuring that what is on the label reflects the quality of aged cachaças, affording security to consumers and regulatory agencies.

Vis-NIR spectrometric determination of Brix and sucrose in sugar production samples using kernel partial least squares with interval selection based on the successive projections algorithm.

This paper proposes a new variable selection method for nonlinear multivariate calibration, combining the Successive Projections Algorithm for interval selection (iSPA) with the Kernel Partial Least Squares (Kernel-PLS) modelling technique. The proposed iSPA-Kernel-PLS algorithm is employed in a case study involving a Vis-NIR spectrometric dataset with complex nonlinear features. The analytical problem consists of determining Brix and sucrose content in samples from a sugar production system, on the basis of transflectance spectra. As compared to full-spectrum Kernel-PLS, the iSPA-Kernel-PLS models involve a smaller number of variables and display statistically significant superiority in terms of accuracy and/or bias in the predictions.