QSAR Study Of Flavor Compounds In Rice Wine Between Their Molecular Structure And Flavor Intensity

The volatile flavor substances of yellow wine were analyzed by GC-MS combining withhead-space solid-phase micro-extraction(HS-SPME). The optimal detection condition weredetermined by single tests of headspace solid microextraction(HSME) and response surfacemethodology. When extraction fibre was polyacrylate, extraction temperature was45℃,extraction balance time was40min and desorption time was4min, the number of thechromatographic peak was48and the area of the chromatographic peak was5.15×104. Usingthe ACSCENT system determinate the Olfactory threshold in wine flavor substances. Andcombining the content of the flavor substances in wine, Further determine the flavor intensityin these substances. Therefore confirm the key flavor substances which have importantcontributions in yellow wine flavor.The head space-solid phase microextraction (HS-SPME) method and gaschromatography-mass spectrometry (GC-MS) method were used to determine the relativecontent in volatile flavor components from different stage of brewing (primary fermentation,secondary fermentation, clarification, sterilization) in rice wine. Qualitative and quantitativeanalysis for these gustatory in rice wine of different ages and types were conducted usingHPLC in this paper.In this paper, quantitative structure-activity relationship(QSAR) study had been carriedout in flavor components of rice wine based on quantum-chemical parameters derived byB3LYP method. To build QSAR models, a multiple linear regression stepwise method wasused. The models have high statistical significance.