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利用甜度计、感官分析、电子舌和分子动力学模拟鉴定甜橙油的特征化合物及其对蔗糖溶液的增甜效果。

Identification of characteristic compounds of sweet orange oil and their sweetening effects on the sucrose solution with sweetness meter, sensory analysis, electronic tongue, and molecular dynamics simulation.

机构信息

State Key Laboratory of Bioreactor Engineering, School of Biotechnology, East China University of Science and Technology, Shanghai 200237, China; School of Perfume and Aroma Technology, Shanghai Institute of Technology, Shanghai 201418, China.

School of Perfume and Aroma Technology, Shanghai Institute of Technology, Shanghai 201418, China.

出版信息

Food Chem. 2024 Dec 15;461:140815. doi: 10.1016/j.foodchem.2024.140815. Epub 2024 Aug 10.

DOI:10.1016/j.foodchem.2024.140815
PMID:39146686
Abstract

The characteristic aroma compounds of five-fold sweet orange oil were analyzed using gas chromatography-mass spectrometry combined with the odor aroma value (OAV) method. The results indicated that limonene, linalool, dodecanol, (E,E)-2,4-decadienal, (E)-citral, linalool, (E)-2-decenal, and geraniol are important contributors. The sweetening effects of key compounds on sucrose solutions were experimentally investigated. The results showed that the sweetness effects of five compounds (limonene, citronellal, geraniol, β-sinensal and β-caryophyllene) were better than those of (E)-citral, linalool and octanal. Molecular dynamics implied that the hydrogen bonding residues of the T1R2/T1R3-sucrose system were converted from LYS65, GLU302, ASP278, and SER144 to ASP278, SER144, ASP142, and ASP213 after the addition of limonene. Meanwhile, the hydrophobic interaction forces of the system are significantly enhanced. The total energy of the T1R2/T1R3-sucrose system decreased from -32.08 kcal/mol to -63.57 kcal/mol. The synergistic sweetening mechanism of characteristic aroma compounds of sweet orange oil on sucrose was revealed.

摘要

采用气相色谱-质谱联用结合香气活值(OAV)法分析了五倍子甜橙油的特征香气成分。结果表明,柠檬烯、芳樟醇、十二醇、(E,E)-2,4-十二烯醛、(E)-柠檬醛、芳樟醇、(E)-2-癸烯醛和香叶醇是重要的贡献者。实验研究了关键化合物对蔗糖溶液的增甜效果。结果表明,五种化合物(柠檬烯、香茅醛、香叶醇、β-丁香烯和β-石竹烯)的甜味效果优于(E)-柠檬醛、芳樟醇和辛醛。分子动力学表明,柠檬烯加入后,T1R2/T1R3-蔗糖体系中氢键残基由 LYS65、GLU302、ASP278 和 SER144 转换为 ASP278、SER144、ASP142 和 ASP213。同时,体系的疏水相互作用力显著增强。T1R2/T1R3-蔗糖体系的总能量从-32.08 kcal/mol 降低到-63.57 kcal/mol。揭示了甜橙油特征香气成分对蔗糖的协同增甜机制。

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