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Master's Dissertation
Full name
Olívia Moreira Sampaio
Knowledge Area
Date of Defense
São Carlos, 2006
Franco, Douglas Wagner (President)
Boscolo, Mauricio
Montanari, Carlos Alberto
Title in Portuguese
"Diferenciação entre rums cubanos e não cubanos"
Keywords in Portuguese
análises multivariadas
Abstract in Portuguese
Com o objetivo de definir a composição química do rum a e encontrar descritores que permitam distinguir rums cubanos de rums não cubanos, foram analisadas 44 amostras de rum provenientes de 15 países diferentes. Essas análises foram realizadas por GC-FID, HPLC-UV-Vis, AAS e ICP OES. Os resultados analíticos foram analisados utilizando quimiometria (PLS, PCA, QDA, LDA, HCA e FA), que permitiu determinar quais analitos apresentam características significativas para separação dos rums em duas classes: Cubanos e Não Cubanos.
Title in English
"Differentiate between cuban rums and non-cuban rums"
Keywords in English
multivariate analysis
Abstract in English
With the aim to define the chemical profile of rum and achieve descriptors that allows the distinction among Cubean rums and non- Cubean rums, the analysis of 44 samples of rum from 15 differents countries were reported. To provide the chemical descriptors, the analysis of mineral composition (cupper, iron, zinc, magnesium, manganese, cadmium, lead, nickel, cobalto, chromium, calcium, barium, sodium, lithium, strontium), phenolic profile (gallic acid, syringic acid, miricetin, ellagic acid, syringaldehyd, vanillin, vanillic acid, epicatechin, catechin, scopoletin, coniferaldehyde, sinapaldehyde, trans-resveratrol, quercetin, eugenol, coumarin), caramel content, alcohols composition (methanol, propanol, isobutanol, 2-butanol, butanol, isoamyl alcohol), acetic acid content, ethyl acetate content, aldehydes (formaldehyde, butyraldehyde, furfuraldehyde, 5-hydroxymethylfurfural, acetaldehyde, crotonaldehyde, propionaldehyde, isobutyraldehyde, benzaldehyde, valeraldehyde, isovaleraldehyde, acrolein), and ketones (2,3-butanodiona monoxime, ciclopentanone, acetilcetone, acetophenone, acetone, metil-isoamil-ketone) were carried out. The experimental results were theatead through exploratory and classification chemometric methods (principal component analysis, hierarchical cluster analysis, partial least squares, factor analysis, linear and quadratic discriminant analysis), that allowed determination of analytes which shown significant characteristics to separation rums into two distinct groups. The chemometric results highlighted that from all the classes of compounds studied were identified descriptors, with alternated participating loadings, that are capables to distinguish the spirit and classify it a acording to their origin. The PCA analysis present in this separation, an acumulative percentage in the first three principal components of 70.4%, having isoamyl alcohol and furfural as significant descriptors for PC1. In the classification of the Cuban rum and non –Cuban rum, the LDA model classified rums with 97.1% of accuracy using acetone, ethyl acetate, 2- butanol, 1-propanol, 1-butanol, isoamyl alcohol, caramel, barium, strontium, vanillic acid, vanillin, syringic acid, catechin, epicatechin, magnesium, acetaldehyde, ciclopentanonona, lead, isobutanol, zinc, calcium, sodium, and crotonaldehyde as descriptors, and with a inclusion of 10 blind samples to test the model, it was achived a percentage of correct assessment of 80% using those 23 chemical descriptors. These results suggested that the spirit, rum, show differences in its chemical composition related to mineral contents, aldehydes, ketones, alcohols, phenolic compounds, caramel, acetic acid and ethyl acetate, wich may be used to classify it according to the geographic origin.
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