title: Characterisation of tequila according to their major volatile composition using multilayer perceptron neural networks.
abstract: Differentiation of silver, gold, aged and extra-aged tequila using 1-propanol, ethyl acetate, 2-methyl-1-propanol, 3-methyl-1-butanol and 2-methyl-1-butanol and furan derivatives like 5-(hydroxymethyl)-2-furaldehyde and 2-furaldehyde has been carried out. The content of 1-propanol, ethyl acetate, 2-methyl-1-propanol, 3-methyl-1-butanol and 2-methyl-1-butanol was determined by means of head space solid phase microextraction gas chromatography mass-spectrometry. 5-(Hydroxymethyl)-2-furaldehyde and 2-furaldehyde were determined by high performance liquid chromatography with diode array detection. Kruskal-Wallis test was used to highlight significant differences between types of tequila. Principal component analysis was applied as visualisation technique. Linear discriminant analysis and multilayer perceptron artificial neural networks were used to construct classification models. The best classification performance was obtained when multilayer perceptron model was applied.
authors.affiliation: Facultad de Ciencias, Universidad de Colima, c/Bernal Díaz del Castillo 340, 28045 Colima, Mexico.
authors.forename: Silvia G
authors.initials: SG
authors.lastname: Ceballos-Magaña
authors.forename: Fernando
authors.initials: F
authors.lastname: de Pablos
authors.forename: José Marcos
authors.initials: JM
authors.lastname: Jurado
authors.forename: María Jesús
authors.initials: MJ
authors.lastname: Martín
authors.forename: Ángela
authors.initials: Á
authors.lastname: Alcázar
authors.forename: Roberto
authors.initials: R
authors.lastname: Muñiz-Valencia
authors.forename: Raquel
authors.initials: R
authors.lastname: Gonzalo-Lumbreras
authors.forename: Roberto
authors.initials: R
authors.lastname: Izquierdo-Hornillos
mesh_terms: D000434:Alcoholic Beverages / Q000032:analysis*; D016002:Discriminant Analysis; D008401:Gas Chromatography-Mass Spectrometry; D016571:Neural Networks, Computer; D052617:Solid Phase Microextraction; D055549:Volatile Organic Compounds / Q000737:chemistry*
chemical_list: D055549:Volatile Organic Compounds