title: Chemical data as markers of the geographical origins of sugarcane spirits.
abstract: In an attempt to classify sugarcane spirits according to their geographic region of origin, chemical data for 24 analytes were evaluated in 50 cachaças produced using a similar procedure in selected regions of Brazil: São Paulo - SP (15), Minas Gerais - MG (11), Rio de Janeiro - RJ (11), Paraiba -PB (9), and Ceará - CE (4). Multivariate analysis was applied to the analytical results, and the predictive abilities of different classification methods were evaluated. Principal component analysis identified five groups, and chemical similarities were observed between MG and SP samples and between RJ and PB samples. CE samples presented a distinct chemical profile. Among the samples, partial linear square discriminant analysis (PLS-DA) classified 50.2% of the samples correctly, K-nearest neighbor (KNN) 86%, and soft independent modeling of class analogy (SIMCA) 56.2%. Therefore, in this proof of concept demonstration, the proposed approach based on chemical data satisfactorily predicted the cachaças' geographic origins.
authors.affiliation: Departamento de Química e Física Molecular, IQSC, Universidade de São Paulo, Avenida Trabalhador São Carlense 400, CP 780, CEP 13560-970 São Carlos, SP, Brazil.
authors.forename: F A T
authors.initials: FA
authors.lastname: Serafim
authors.affiliation: Grupo de Análise Instrumental Aplicada (GAIA), Departamento de Química (DQ), Universidade Federal de São Carlos (UFSCar), CP 676, CEP 13565-905 São Carlos, SP, Brazil.
authors.forename: Edenir R
authors.initials: ER
authors.lastname: Pereira-Filho
authors.affiliation: Departamento de Química e Física Molecular, IQSC, Universidade de São Paulo, Avenida Trabalhador São Carlense 400, CP 780, CEP 13560-970 São Carlos, SP, Brazil. Electronic address: douglas@iqsc.usp.br.
authors.forename: D W
authors.initials: DW
authors.lastname: Franco
mesh_terms: D000434:Alcoholic Beverages / Q000032:analysis; D001938:Brazil; D016002:Discriminant Analysis; D000431:Ethanol / Q000032:analysis* / Q000592:standards; D005843:Geography; D015999:Multivariate Analysis; D025341:Principal Component Analysis; D031786:Saccharum
chemical_list: D000431:Ethanol
keywords: Geographical origin; Recognition pattern; Sugarcane spirits