Study of the interaction mechanism of aroma components in Baijiu and associated brain response microstates

The complex aroma of Baijiu is influenced by the interactions of various flavor compounds. This study employed molecular dynamics simulations and headspace solid-phase microextraction to both simulate and validate the interaction mechanisms between two key aroma compounds in Baijiu: ethyl caprylate and ethyl acetate. The findings indicate that a reduction in electrostatic interactions and van der Waals forces enhances the volatility of these compounds within Baijiu. Electroencephalography microstate analysis revealed distinct neural responses to the aroma compounds in Baijiu. In the ethyl caprylate group, the frequency of occurrence for all microstate classes significantly decreased, whereas their duration significantly increased. In the ethyl acetate group, the duration and coverage ratio of microstate C significantly decreased, whereas all parameters of microstate D significantly increased. In the mixed aroma group, all parameters of microstate classes A and D significantly increased, whereas those of class B significantly decreased. These results suggest that brain microstate activity reflects the millisecond-level temporal dynamics associated with Baijiu flavor perception.