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通过分子动力学模拟和等温滴定量热法对具有增强油水界面性质的OSA-淀粉/茶多酚复合物进行表征

Characterization of OSA-starch/tea polyphenol complexes with enhanced oil-water interfacial properties by molecular dynamics simulation and isothermal titration calorimetry.

作者信息

Pan Lidan, Liu Xiaorui, Dong Die, Guo Li, Zhao Meng, Cui Bo

机构信息

Shandong Key Laboratory of Healthy Food Resources Exploration and Creation, Qilu University of Technology (Shandong Academy of Sciences), Jinan 250353, China; School of Food Science and Engineering, Qilu University of Technology (Shandong Academy of Sciences), Jinan 250353, China; State Key Laboratory of Biobased Material and Green Papermaking, Qilu University of Technology (Shandong Academy of Sciences), Jinan 250353, China.

Shandong Key Laboratory of Healthy Food Resources Exploration and Creation, Qilu University of Technology (Shandong Academy of Sciences), Jinan 250353, China; School of Food Science and Engineering, Qilu University of Technology (Shandong Academy of Sciences), Jinan 250353, China; State Key Laboratory of Biobased Material and Green Papermaking, Qilu University of Technology (Shandong Academy of Sciences), Jinan 250353, China.

出版信息

Food Chem. 2025 Oct 1;488:144888. doi: 10.1016/j.foodchem.2025.144888. Epub 2025 May 24.

DOI:10.1016/j.foodchem.2025.144888
PMID:40435643
Abstract

Modifying the structure of natural emulsifiers can significantly alter their bulk properties and interfacial behavior. In this study, the binding mechanisms and interfacial adsorption of octenyl succinic anhydride starch (OSA-starch)/ epigallocatechin-3-gallate (EGCG) complexes were investigated for developing functional emulsifiers. Molecular dynamics simulations and isothermal titration calorimetry demonstrated that OSA-starch and EGCG interacted via van der Waals forces, electrostatic interactions, and hydrogen bonding. With EGCG concentrations increased from 0.05 % to 0.20 %, the number of hydrogen bonds between OSA-starch and EGCG changed from 8 to 26. The improved oil-water interfacial properties were evidenced by contact angle measurements and dynamic interfacial tension analysis. Specifically, when EGCG concentration was 0.05 %, the contact angle of the OSA-starch/EGCG complexes was increased to 71.29°, while the interfacial diffusion rate was rose to 0.0252 mN m s. The structural features and interfacial behaviors of OSA-starch/EGCG complexes were closely interconnected, offering significant insights into the regulation of interfaces.

摘要

改变天然乳化剂的结构可显著改变其整体性质和界面行为。在本研究中,为开发功能性乳化剂,对辛烯基琥珀酸酐淀粉(OSA-淀粉)/表没食子儿茶素-3-没食子酸酯(EGCG)复合物的结合机制和界面吸附进行了研究。分子动力学模拟和等温滴定量热法表明,OSA-淀粉和EGCG通过范德华力、静电相互作用和氢键相互作用。随着EGCG浓度从0.05%增加到0.20%,OSA-淀粉与EGCG之间的氢键数量从8个变为26个。接触角测量和动态界面张力分析证明了油水界面性质的改善。具体而言,当EGCG浓度为0.05%时,OSA-淀粉/EGCG复合物的接触角增加到71.29°,而界面扩散速率上升到0.0252 mN m s。OSA-淀粉/EGCG复合物的结构特征和界面行为密切相关,为界面调控提供了重要见解。

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