Quantitative chemical profile and multivariate statistical analysis of alembic distilled sugarcane spirit fractions

TL;DR: In this paper, the results were evaluated using analysis of variance (ANOVA), Tukey's test, principal component analysis (PCA), hierarchical cluster analysis (HCA), and linear discriminant analysis (LDA).

Abstract: As concentracoes de 39 compostos orgânicos foram determinadas em tres fracoes (cabeca, coracao e cauda) obtidas da destilacao em alambique do caldo de cana fermentado. Os resultados foram avaliados utilizando-se analise de variância (ANOVA), teste de Tukey, analise de componentes principais (PCA), agrupamento hierarquico (HCA) e analise discriminante linear (LDA). De acordo com PCA e HCA, os dados experimentais conduzem a formacao de tres agrupamentos. As fracoes de cabeca deram origem a um grupo mais definido. As fracoes coracao e cauda apresentaram alguma sobreposicao coerente com sua composicao em acidos. As habilidades preditivas de calibracao e validacao dos modelos gerados pela LDA para a classificacao das tres fracoes foram de 90,5 e 100%, respectivamente. Este modelo reconheceu como coracao doze de treze cachacas comerciais (92,3%) com boas caracteristicas sensoriais, apresentando potencial para a orientacao do processo de cortes. Concentrations of 39 organic compounds were determined in three fractions (head, heart and tail) obtained from the pot still distillation of fermented sugarcane juice. The results were evaluated using analysis of variance (ANOVA), Tukey's test, principal component analysis (PCA), hierarchical cluster analysis (HCA) and linear discriminant analysis (LDA). According to PCA and HCA, the experimental data lead to the formation of three clusters. The head fractions give rise to a more defined group. The heart and tail fractions showed some overlap consistent with its acid composition. The predictive ability of calibration and validation of the model generated by LDA for the three fractions classification were 90.5 and 100%, respectively. This model recognized as the heart twelve of the thirteen commercial cachacas (92.3%) with good sensory characteristics, thus showing potential for guiding the process of cuts.