Unveiling the nectar-like aroma in sauce-flavor baijiu: From molecular sensory science to molecular docking

The nectar-like aroma is a crucial sensory attribute of sauce-flavor Baijiu (SFB). However, the specific odor-active compounds responsible for this characteristic remain unclear. In this study, the nectar-like aroma of representative SFB samples was systematically characterized using molecular sensory science approaches. Based on absolute quantification and odor activity values (OAVs ≥1), nineteen compounds were identified as important contributors to the nectar-like aroma. Omission experiments further suggested that phenylacetaldehyde, 2-phenylethanol, ethyl octanoate, hexanal, and furfural might serve as putative odor-active compounds (POACs). Notably, the nectar-like aroma was more likely driven by the combined contributions of multiple odor-active components rather than by a single POAC. Molecular docking analysis estimated the binding energies and generated structural hypotheses regarding possible ligand-receptor interactions. Overall, this study elucidated the compositional basis of the nectar-like aroma in SFB, and provided a theoretical foundation for aroma modulation during Baijiu production.