Modeling excitation-emission fluorescence matrices with pattern recognition algorithms for classification of Argentine white wines according grape variety

卷:184

Azcarate, Silvana M. ; de Araujo Gomes, Adriano ; Alcaraz, Mirta R. ; Ugulino de Araujo, Mario C. ; Camina, Jose M. ; Goicoechea, Hector C.

关键词: White wine;    Excitation-emission matrices;    SIMCA;    U-PLS-DA;    N-PLS-DA;    SPA-LDA;   

DOI  :  10.1016/j.foodchem.2015.03.081

学科分类：食品科学和技术

【 摘 要 】

This paper reports the modeling of excitation emission matrices for classification of Argentinean white wines according to the grape variety employing chemometric tools for pattern recognition. The discriminative power of the data was first investigated using Principal Component Analysis (PCA) and Parallel Factor Analysis (PARAFAC). The score plots showed strong overlapping between classes. A forty-one samples set was partitioned into training and test sets by the Kennard Stone algorithm. The algorithms evaluated were SIMCA, N- and U-PLS-DA and SPA LDA. The fit of the implemented models was assessed by mean of accuracy, sensitivity and specificity. These models were then used to assign the type of grape of the wines corresponding to the twenty samples test set. The best results were obtained for U-PLS-DA and SPA LDA with 76% and 80% accuracy. (C) 2015 Elsevier Ltd. All rights reserved.