A rapid aroma quantification method: Colorimetric sensor-coupled multidimensional spectroscopy applied to black tea aroma

Abstract

Aroma affects the quality of black tea, and the rapid evaluation of aroma quality is the key to realize the intelligent processing of black tea. A simple colorimetric sensor array coupled with a hyperspectral system was proposed for the rapid quantitative detection of key volatile organic compounds (VOCs) in black tea. Feature variables were screened based on competitive adaptive reweighted sampling (CARS). Furthermore, the performance of the models for VOCs quantitative prediction was compared. For the quantitative prediction of linalool, benzeneacetaldehyde, hexanal, methyl salicylate, and geraniol, the CARS–least-squares support vector machine model's correlation coefficients were 0.89, 0.95, 0.88, 0.80, and 0.78, respectively. The interaction mechanism of array dyes with VOCs was based on density flooding theory. The optimized highest occupied molecular orbital levels, lowest unoccupied molecular orbital energy levels, dipole moments, and intermolecular distances were determined to be strongly correlated with interactions between array dyes and VOCs.