Brazilian cachaças (115 samples; 73 samples derived from distillation in copper pot stills, 42 samples derived from distillation in stainless steel columns), collected directly at the producers, were analyzed for the contents of 34 constituents by chromatography, inductively coupled plasma optical emission spectrometry, and atomic absorption spectrometry. The analytical data were subjected to principal component analysis (PCA) and linear discriminant analysis (LDA). The PCA treatment led to discrimination of the two groups of cachaças, explaining 65.0% of the database variance. Using LDA and ethanal, ethyl carbamate, dimethyl sulfide, isobutyl alcohol, n-propanal, copper, ethyl acetate, and phenylmethanal as chemical descriptors, a model was developed that presented 95.1% accuracy in predicting the type of distillation apparatus.
The differentiation between cachaça and rum using analytical data referred to alcohols (methanol, propanol, isobutanol, and isopentanol), acetaldehyde, ethyl acetate, organic acids (octanoic acid, decanoic acid, and dodecanoic acid), metals (Al, Ca, Co, Cu, Cr, Fe, Mg, Mn, Ni, Na, and Zn), and polyphenols (protocatechuic acid, sinapaldehyde, syringaldehyde, ellagic acid, syringic acid, gallic acid, (-)-epicatechin, vanillic acid, vanillin, p-coumaric acid, coniferaldehyde, coniferyl alcohol, kaempferol, and quercetin) is described. The organic and metal analyte contents were determined in 18 cachaça and 21 rum samples using chromatographic methods (GC-MS, GC-FID, and HPLC-UV-vis) and inductively coupled plasma atomic emission spectrometry, respectively. The analytical data of the above compounds, when treated by principal component analysis, hierarchical cluster analysis, discriminant analysis, and K-nearest neighbor analysis, provide a very good discrimination between the two classes of beverages.
To identify chemical descriptors to distinguish Cuban from non-Cuban rums, analyses of 44 samples of rum from 15 different countries are described. To provide the chemical descriptors, analyses of the the mineral fraction, phenolic compounds, caramel, alcohols, acetic acid, ethyl acetate, ketones, and aldehydes were carried out. The analytical data were treated through the following chemometric methods: principal component analysis (PCA), partial least square-discriminate analysis (PLS-DA), and linear discriminate analysis (LDA). These analyses indicated 23 analytes as relevant chemical descriptors for the separation of rums into two distinct groups. The possibility of clustering the rum samples investigated through PCA analysis led to an accumulative percentage of 70.4% in the first three principal components, and isoamyl alcohol, n-propyl alcohol, copper, iron, 2-furfuraldehyde (furfuraldehyde), phenylmethanal (benzaldehyde), epicatechin, and vanillin were used as chemical descriptors. By applying the PLS-DA technique to the whole set of analytical data, the following analytes have been selected as descriptors: acetone, sec-butyl alcohol, isobutyl alcohol, ethyl acetate, methanol, isoamyl alcohol, magnesium, sodium, lead, iron, manganese, copper, zinc, 4-hydroxy-3,5-dimethoxybenzaldehyde (syringaldehyde), methaldehyde (formaldehyde), 5-hydroxymethyl-2-furfuraldehyde (5-HMF), acetaldehyde, 2-furfuraldehyde, 2-butenal (crotonaldehyde), n-pentanal (valeraldehyde), iso-pentanal (isovaleraldehyde), benzaldehyde, 2,3-butanodione monoxime, acetylacetone, epicatechin, and vanillin. By applying the LDA technique, a model was developed, and the following analytes were selected as descriptors: ethyl acetate, sec-butyl alcohol, n-propyl alcohol, n-butyl alcohol, isoamyl alcohol, isobutyl alcohol, caramel, catechin, vanillin, epicatechin, manganese, acetaldehyde, 4-hydroxy-3-methoxybenzoic acid, 2-butenal, 4-hydroxy-3,5-dimethoxybenzoic acid, cyclopentanone, acetone, lead, zinc, calcium, barium, strontium, and sodium. This model allowed the discrimination of Cuban rums from the others with 88.2% accuracy.
Recebido em 20/2/08; aceito em 6/10/08; publicado na web em 5/2/09 DISTINCTION BETWEEN CaChaçaS DISTIllED IN POT STIllS aND IN COlUmNS USING ChEmOmETRICS. One hundred fifteen cachaça samples derived from distillation in copper stills (73) or in stainless steels (42) were analyzed for thirty five itens by chromatography and inductively coupled plasma optical emission spectrometry. The analytical data were treated through Factor analysis (Fa), Partial least Square Discriminant analysis (PlS-Da) and Quadratic Discriminant analysis (QDa). The Fa explained 66.0% of the database variance. PlS-Da showed that it is possible to distinguish between the two groups of cachaças with 52.8% of the database variance. QDa was used to build up a classification model using acetaldehyde, ethyl carbamate, isobutyl alcohol, benzaldehyde, acetic acid and formaldehyde as chemical descriptors. O impacto desta produção e a ampliação do mercado vêm incentivando melhorias, implementação de controles mais rígidos 4,5 e estudos mais detalhados, quer sobre o processo de produção, quer sobre as qualidades químicas e sensoriais da cachaça. [6][7][8][9][10][11][12][13][14] Os dois processos de destilação do vinho (mosto fermentado) mais utilizados para a produção de cachaça são destilação em alambique de cobre (destilação em batelada) e destilação em coluna de aço inoxidável (destilação contínua). Outros sistemas de destilação já foram testados, 12,13 mas não apresentaram melhorias significativas na qualidade da cachaça em relação aos processos supracitados.Na destilação em alambique, o destilado é dividido ("corte" do destilado, pela medida da graduação alcoólica) em três frações: cabeça (78% v/v), coração (57% v/v) e cauda (27% v/v). 12,13,[15][16][17][18] O resíduo da destilação, conhecido como vinhaça, pobre em etanol e rico em água, pode ser reutilizado como repositor de minerais e água na lavoura. 18,19 Na destilação realizada em coluna de aço inoxidável não ocorre a separação do destilado em frações, pelo fato de que este sistema é contínuo, ou seja, a alimentação da coluna com vinho e a saída do destilado acontecem simultaneamente e durante todo o processo. 18,19 Outro fator importante na destilação em coluna é a quantidade de pratos teóricos que esta possui. 18 Um alambique simples possui apenas um prato, enquanto que nas colunas de baixo grau (utilizadas na produção de aguardente) o número varia de 15 a 20 pratos. 18,20 O número de pratos, a composição do material da coluna e do alambique e o fato de que no alambique se separam as frações explicam em grande parte as diferenças na composição química das aguardentes de coluna e de alambique. 18,19 alambiques e colunas também são utilizados na produção de outros destilados. Destilados de cidra produzidos em alambique 17 apresentam maiores teores de metanol que os destilados em coluna, enquanto que esta produz um destilado mais rico em álcoois superiores. Furfuraldeído é mais abundante nos destilados de alambique que nos de coluna. 15 Experimentos realizados com destilado de pêra, 16 utili...
This study aims to differentiate the many sugarcane spirits that are produced throughout Brazil’s São Paulo State using chemical analysis with chemometric tools. This contribution is expected to improve the production process of cachaças, map the regions that produce the best cachaças, and assure consumers about a product’s provenance.
Aos meus pais Clóvis (In memorian) e Vera, por sempre estarem ao meu lado em todas as situações. Ao meu irmão Tiago e à minha cunhada Karine, por me presentearem com a menininha mais linda do mundo, minha sobrinha Larissa. A todos meus parentes que me ajudaram nos momentos em que precisei. A Nina e a Pretinha por me ajudarem muito nos momentos em que a tristeza parecia que iria me vencer. A todos os amigos do laboratório,
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