Identification of key aromatic compounds responsible for sweetening sensory effect in Jinmudan black tea though flavoromics and molecular modeling

Innovative Jinmudan black tea shows pronounced sweet aroma and taste, but the mechanisms by which volatile compounds enhance sweetness remain unclear. This study combined flavoromics, molecular modeling, and sensory analysis to identify key aroma compounds responsible for the sweetening sensory effect. HS-SPME-GC–MS and multivariate analysis characterized 93 sweet-related volatiles, of which 30 were screened by Partial Least Squares-Discriminant Analysis (PLS-DA). Six representative compounds covering major sweet-aroma subtypes were selected for in silico analysis. Molecular docking and dynamics revealed stronger and more stable binding of these volatiles to the sweet receptor T1R3 than to T1R2. Aroma addition tests using a low-sweetness Jinmudan black tea confirmed that five compounds enhanced perceived sweetness, with (Z)-3-hexen-1-ol benzoate and 2-methyl-2-phenylethyl propanoic acid showing the greatest effects. These findings clarify aroma-taste interactions in innovative black tea and provide a reference for sweetness modulation in tea-based foods.