Hao Zongwei, Han Shengjun, Zhao Zhongyun, Wu Zongjun, Xu Hui, Li Chao, Zheng Mingming, Zhou Yibin, Du Yiqun, Yu Zhenyu
Key Laboratory of Jianghuai Agricultural Product Fine Processing and Resource Utilization, Ministry of Agriculture and Rural Affairs, Anhui Engineering Research Center for High Value Utilization of Characteristic Agricultural Products, State Key Laboratory of Tea Plant Biology and Utilization, College of Food and Nutrition, Anhui Agricultural University, Hefei 230036, China.
Key Laboratory of Oilseeds Processing, Ministry of Agriculture and Rural Affairs, Wuhan 430062, China.
Food Chem X. 2024 Oct 22;24:101919. doi: 10.1016/j.fochx.2024.101919. eCollection 2024 Dec 30.
In this study, the formation mechanism, physicochemical properties, and intermolecular interactions of ball milling pretreated high amylose corn starch (HACS)-ferulic acid (FA) complexes were elucidated by density functional theory (DFT) calculations, and examined their structural and digestive properties. The results showed that the average molecular weight decreased to 92.155 kDa during ball milling pretreatment. The complexation degree of the ball milling pretreated HACS-FA complexes was increased, the relative crystallinity was increased by 11.74 %, and the short-range ordering was significantly improved. Notably, the content of single helix and double helix showed an increasing trend, indicating that HACS-FA complexes had a more compact V-type structure, which corresponded to a 22.39 % increase in resistant starch. DFT calculations further showed that the intermolecular interactions between HACS and FA were mainly hydrophobic, hydrogen bonding, and van der Waals forces. This study is expected to provide a new method for the efficient preparation of HACS-FA complexes.
在本研究中，通过密度泛函理论（DFT）计算阐明了球磨预处理的高直链玉米淀粉（HACS）-阿魏酸（FA）复合物的形成机制、理化性质和分子间相互作用，并研究了它们的结构和消化特性。结果表明，在球磨预处理过程中，平均分子量降至92.155 kDa。球磨预处理的HACS-FA复合物的络合度增加，相对结晶度提高了11.74%，短程有序性显著改善。值得注意的是，单螺旋和双螺旋的含量呈增加趋势，表明HACS-FA复合物具有更紧凑的V型结构，这对应着抗性淀粉增加了22.39%。DFT计算进一步表明，HACS与FA之间的分子间相互作用主要是疏水作用、氢键和范德华力。本研究有望为高效制备HACS-FA复合物提供一种新方法。
