为了探究果香物质对烘烤香的香气风味影响，首先用阈值法测定了17种常见的食用型果香香气物质的阈值。根据阈值分别将这些物质以不同质量浓度与2，3，5-三甲基吡嗪进行混合，运用 S 曲线法对果香香气物质与烘烤香吡嗪类化合物的二元混合物之间香气的相互作用展开研究。研究发现，13种果香香气物质与吡嗪类化合物产生协同作用，2种物质（杨梅醛、己酸戊酯）表现为加成作用，2种物质（圆柚酮、柠檬烯）对吡嗪类化合物有掩盖作用。根据感官结果选取表现为协同作用的乙酸乙酯和表现为掩盖作用的圆柚酮进行200ns的分子动力学模拟，以此来进一步验证配体与受体的相互作用。通过均方根偏差（RMSD）以及氢键和疏水键的数量可以客观地表现出果香物质和吡嗪类化合物的加入对整个蛋白体系稳定性的影响，用来研究两种化合物之间的相互作用，所得出的结果与S曲线法获得的结果一致。因此分子动力学模拟可以对感官结果进行进一步的验证，对化合物之间的相互作用研究提供了理论基础，为今后的食品生产和加香提供理论指导。

To investigate the influence of fruit aroma substances on the aroma and flavor of baked fragrance, the threshold value method was used to determine the threshold values of 17 common edible fruit aroma substances. Based on the threshold values, these substances were mixed with 2,3,5-trimethylpyrazine at different mass concentrations and the interaction between fruit aroma substances and pyrazine-type compounds in binary mixtures was studied using the S-curve method. The study found that 13 of the fruit aroma substances had synergistic effects with pyrazine-type compounds, while two substances (farnesol and pentyl lactate) showed additive effects, and two substances (bergamot ketone and limonene) had masking effects on pyrazine-type compounds. The sensory results showed that ethyl acetate and bergamot ketone had synergistic effects and circular mandarin ketone had masking effects. The 200ns molecular dynamics simulation was carried out for ethyl acetate and circular mandarin ketone to further verify the interaction between the ligand and the receptor. The stability of the entire protein system can be objectively expressed by the root mean square deviation (RMSD) and the number of hydrogen bonds and hydrophobic bonds, which can be used to study the interaction between the two compounds. The results obtained by the RMSD and the number of hydrogen bonds and hydrophobic bonds are consistent with those obtained by the S-curve method. Therefore, molecular dynamics simulation can further verify the sensory results, provide a theoretical basis for the study of compound interactions, and provide theoretical guidance for future food production and flavoring.