Molecular Approach to the Synergistic Effect on Astringency Elicited by Mixtures of Flavanols
Molecular Approach to the Synergistic Effect on Astringency Elicited by Mixtures of Flavanols
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DOI：
10.1021/acs.jafc.7b01600
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发表时间：
2017-08-09
影响因子：
6.1
通讯作者：
Escribano Bailon, Maria Teresa
中科院分区：
文献类型：
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作者：
Maria Ramos-Pineda, Alba;Garcia-Estevez, Ignacio;Escribano Bailon, Maria Teresa
唾液蛋白和葡萄酒黄烷醇（儿茶素，表儿茶素，及其混合物）之间的相互作用进行了研究，通过HPLC-DAD，等温滴定量热法，和分子动力学模拟。色谱结果表明，这些黄烷醇混合物的存在下，可能会促进沉淀物的形成，损害可溶性聚集体。热力学参数之间的比较表明，显着更高的负值Δ G在系统中含有两个黄烷醇的混合物相比，系统中含有单独的黄烷醇，表明在混合系统中更合理的情况。同时，该体系的表观结合常数也较高。此外，分子动力学模拟表明，当两种类型的黄烷醇同时存在于溶液中时，儿茶素和表儿茶素与IB 7（14）肽的结合更快和更大。
The interactions between salivary proteins and wine flavanols (catechin, epicatechin, and mixtures thereof) have been studied by HPLC-DAD, isothermal titration microcalorimetry, and molecular dynamics simulations. Chromatographic results suggest that the presence of these flavanol mixtures could, facilitate the formation of precipitates to the detriment, of soluble aggregates. Comparison between the thermodynamic parameters obtained showed remarkably higher negative values of Delta G in the system containing the mixture of both flavanols in comparison to the systems containing individual flavanols, indicating a more favorable-scenario in mixing system. Also, the apparent binding constants were higher, in this System. Furthermore) molecular dynamics simulations suggested a faster and greater cooperative binding of catechin and, epicatechin to IB7(14) peptides when both types of flavanols are present simultaneously in solution.