To improve starch functionalities such as digestibility and antioxidant activity, rice starch was complexed with antioxidant dodecyl gallate (DG). Molecular dynamics simulation showed that the starch–DG inclusion complex was favorable, and in 50 ns, the dodecyl segment resided in the helix of the amylose cavities but the gallate tail left outside. This theoretical finding was validated by UV–vis spectroscopy, calorimetric, and crystalline measurements, indicating V-type crystalline structures containing type I and type II inclusion complexes can be formed after DG complexation. Meritedly, starch digestibility was mitigated by synchronously increasing slowly digestible starch (5.12–22.83%) and resistant starch content (8.69–14.17%), and the antioxidant activity was also significantly increased. Such inclusion complexes thereby acted as a carrier for targeting delivery of DG to the human lower gastrointestinal tract with potent antioxidant activity. Complexation with DG synergistically improved starch digestibility and antioxidant activity, favoring the intervention against chronic diseases, by ameliorating the postprandial glycemic response and oxidative stress.

中文翻译：

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十二烷基没食子酸酯配合物改善稻米淀粉的营养特性：分子动力学模拟和体外研究

为了改善淀粉的功能性，例如消化率和抗氧化活性，大米淀粉与抗氧化十二烷基没食子酸酯（DG）配合使用。分子动力学模拟表明，淀粉-DG包合物是有利的，并且在50 ns内，十二烷基片段位于直链淀粉腔的螺旋中，而没食子酸酯尾巴则位于外部。紫外可见光谱，量热法和晶体测量结果验证了这一理论发现，表明DG络合后可形成包含I型和II型夹杂物的V型晶体结构。值得一提的是，同步增加缓慢消化的淀粉（5.12–22.83％）和抗性淀粉含量（8.69–14.17）可以减轻淀粉的消化率，并且抗氧化活性也显着提高。这样的包合复合物因此充当载体，用于以有效的抗氧化剂活性将DG靶向递送至人下胃肠道。与DG的络合物可改善餐后血糖反应和氧化应激，从而协同改善淀粉的消化率和抗氧化活性，有利于干预慢性疾病。