title: Modeling excitation-emission fluorescence matrices with pattern recognition algorithms for classification of Argentine white wines according grape variety.
abstract: 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.
authors: Facultad de Ciencias Exactas y Naturales, Universidad Nacional de La Pampa, and Instituto de Ciencias de la Tierra y Ambientales de La Pampa (INCITAP), Av. Uruguay 151, (6300) Santa Rosa, La Pampa, Argentina.
authors: Silvana M
authors: SM
authors: Azcarate
authors: Laboratório de Automação e Instrumentação em Química Analítica e Quimiometria (LAQA), Universidade Federal da Paraíba, CCEN, Departamento de Química, Caixa Postal 5093, CEP 58051-970 João Pessoa, PB, Brazil.
authors: Adriano
authors: A
authors: de Araújo Gomes
authors: Laboratorio de Desarrollo Analítico y Quimiometría (LADAQ), Cátedra de Química Analítica I, Facultad de Bioquímica y Ciencias Biológicas, Universidad Nacional del Litoral-CONICET, Ciudad Universitaria, Santa Fe (S3000ZAA), Argentina.
authors: Mirta R
authors: MR
authors: Alcaraz
authors: Laboratório de Automação e Instrumentação em Química Analítica e Quimiometria (LAQA), Universidade Federal da Paraíba, CCEN, Departamento de Química, Caixa Postal 5093, CEP 58051-970 João Pessoa, PB, Brazil.
authors: Mário C
authors: MC
authors: Ugulino de Araújo
authors: Facultad de Ciencias Exactas y Naturales, Universidad Nacional de La Pampa, and Instituto de Ciencias de la Tierra y Ambientales de La Pampa (INCITAP), Av. Uruguay 151, (6300) Santa Rosa, La Pampa, Argentina. Electronic address: jcaminia@exactas.unlpam.edu.ar.
authors: José M
authors: JM
authors: Camiña
authors: Laboratorio de Desarrollo Analítico y Quimiometría (LADAQ), Cátedra de Química Analítica I, Facultad de Bioquímica y Ciencias Biológicas, Universidad Nacional del Litoral-CONICET, Ciudad Universitaria, Santa Fe (S3000ZAA), Argentina. Electronic address: hgoico@fbcb.unl.edu.ar.
authors: Héctor C
authors: HC
authors: Goicoechea
mesh_terms: D000465:Algorithms; D016002:Discriminant Analysis; D005163:Factor Analysis, Statistical; D005453:Fluorescence; D025341:Principal Component Analysis / Q000379:methods*; D027843:Vitis / Q000737:chemistry*; D014920:Wine / Q000032:analysis*
keywords: Excitation–emission matrices; N-PLS-DA; SIMCA; SPA–LDA; U-PLS-DA; White wine