Beijing Advanced Innovation Center for Food Nutrition and Human Health, Beijing Engineering and Technology Research Center of Food Additives, Beijing Technology and Business University, Beijing 100048, China.
State Key Laboratory of Microbial Metabolism, School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai 200240, China.
Int J Biol Macromol. 2022 Oct 31;219:721-729. doi: 10.1016/j.ijbiomac.2022.08.051. Epub 2022 Aug 10.
The objective of this study was to design a chitosan (CS) derivative with good protective effect on the color stability of anthocyanins (ACNs) under accelerated storage. The binding affinities and interactions of 12 organic acids with cyanidin-3-O-glucoside (C3G) were evaluated using quantum mechanics method. Sinapic acid (SinA) showing the strongest interaction with C3G was selected for the synthesis of SinA-grafted-CS (SinA-g-CS), which was further characterized by FTIR and H NMR. Under accelerated storage conditions (40 °C), SinA-g-CS significantly improved the color stability of black rice anthocyanins (BRA) in the presence of l-ascorbic acid (pH 3.0), and showed a better protective effect than that of CS. Moreover, molecular dynamics simulation analysis showed SinA-g-CS formed more hydrogen bonds with C3G than CS. Our study demonstrated that SinA-g-CS designed by computational methods can effectively protect ACNs from degradation, and has the potential to be used in ACN-rich beverages as a replacement for CS.
本研究旨在设计一种壳聚糖（CS）衍生物，以在加速储存条件下对花色苷（ACNs）的颜色稳定性具有良好的保护作用。使用量子力学方法评估了 12 种有机酸与矢车菊素-3-O-葡萄糖苷（C3G）的结合亲和力和相互作用。选择与 C3G 相互作用最强的芥子酸（SinA）用于合成 SinA 接枝 CS（SinA-g-CS），并通过 FTIR 和 H NMR 进一步进行了表征。在加速储存条件（40°C）下，SinA-g-CS 在 l-抗坏血酸（pH 3.0）存在下显著提高了黑米花色苷（BRA）的颜色稳定性，并且比 CS 具有更好的保护效果。此外，分子动力学模拟分析表明，SinA-g-CS 与 C3G 形成的氢键比 CS 更多。我们的研究表明，通过计算方法设计的 SinA-g-CS 可以有效保护 ACNs 免受降解，并且有可能作为 CS 的替代品用于富含 ACN 的饮料中。
