6 research outputs found
Comprehensive Chemical Fingerprinting of High-Quality Cocoa at Early Stages of Processing: Effectiveness of Combined Untargeted and Targeted Approaches for Classification and Discrimination
This
study investigates chemical information of volatile fractions
of high-quality cocoa (<i>Theobroma cacao</i> L. Malvaceae)
from different origins (Mexico, Ecuador, Venezuela, Columbia, Java,
Trinidad, and Sao Tomè) produced for fine chocolate. This study
explores the evolution of the entire pattern of volatiles in relation
to cocoa processing (raw, roasted, steamed, and ground beans). Advanced
chemical fingerprinting (e.g., combined untargeted and targeted fingerprinting)
with comprehensive two-dimensional gas chromatography coupled with
mass spectrometry allows advanced pattern recognition for classification,
discrimination, and sensory-quality characterization. The entire data
set is analyzed for 595 reliable two-dimensional peak regions, including
130 known analytes and 13 potent odorants. Multivariate analysis with
unsupervised exploration (principal component analysis) and simple
supervised discrimination methods (Fisher ratios and linear regression
trees) reveal informative patterns of similarities and differences
and identify characteristic compounds related to sample origin and
manufacturing step