Geographical origin discrimination of lentils (Lens culinaris Medik.) using 1H NMR fingerprinting and multivariate statistical analyses

Lentil samples coming from two different countries, i.e. Italy and Canada, were analysed using untargeted H-1 NMR fingerprinting in combination with chemometrics in order to build models able to classify them according to their geographical origin. For such aim, Soft Independent Modelling of Class Analogy (SIMCA), k-Nearest Neighbor (k-NN), Principal Component Analysis followed by Linear Discriminant Analysis (PCA-LDA) and Partial Least Squares-Discriminant Analysis (PLS-DA) were applied to the NMR data and the results were compared. The best combination of average recognition (100%) and cross-validation prediction abilities (96.7%) was obtained for the PCA-LDA. All the statistical models were validated both by using a test set and by carrying out a Monte Carlo Cross Validation: the obtained performances were found to be satisfying for all the models, with prediction abilities higher than 95% demonstrating the suitability of the developed methods. Finally, the metabolites that mostly contributed to the lentil discrimination were indicated. (C) 2017 Elsevier Ltd. All rights reserved.