Exploration of the effect of ultrasound treatment on starch-theanine-EGCG complexes based on multi-scale structure and prediction of the interaction by density functional theory calculations

IF 6.5 1区农林科学 Q1 CHEMISTRY, APPLIED

Food Chemistry: X Pub Date : 2025-05-01 DOI:10.1016/j.fochx.2025.102571

Zongwei Hao , Huijun Sun , Xinran Liu , Yixuan Xu , Jiameng Wang , Hui Xu , Zhongyun Zhao , Zongjun Wu , Mingming Zheng , Yibin Zhou , Zhenyu Yu

{"title":"Exploration of the effect of ultrasound treatment on starch-theanine-EGCG complexes based on multi-scale structure and prediction of the interaction by density functional theory calculations","authors":"Zongwei Hao , Huijun Sun , Xinran Liu , Yixuan Xu , Jiameng Wang , Hui Xu , Zhongyun Zhao , Zongjun Wu , Mingming Zheng , Yibin Zhou , Zhenyu Yu","doi":"10.1016/j.fochx.2025.102571","DOIUrl":null,"url":null,"abstract":"<div><div>Ultrasonication (US) is an emerging green modification technique in food science, yet its impact on starch-tea active ingredient interactions and digestibility remains underexplored. This study investigated the effects of US on maize starch (MS) complexed with epigallocatechin gallate (EGCG) and L-theanine (THE). US induced agglomeration and adhesion, increasing viscosity (<em>p</em> < 0.05) and enhancing the multi-scale structural order. The relative crystallinity increased to 30.82 %, improving thermal stability, while rapidly digestible starch decreased by 16.57 %, and resistant starch increased to 34.29 %. Pearson analysis indicated a strong correlation between starch digestibility and structural changes. Density functional theory calculations revealed hydrogen bonding and van der Waals forces as dominant interactions in MS-THE/EGCG complexes. These findings provide a theoretical basis for optimizing US conditions and enhancing the utilization of tea-derived bioactives in starch-based foods.</div></div>","PeriodicalId":12334,"journal":{"name":"Food Chemistry: X","volume":"28 ","pages":"Article 102571"},"PeriodicalIF":6.5000,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Food Chemistry: X","FirstCategoryId":"97","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2590157525004183","RegionNum":1,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, APPLIED","Score":null,"Total":0}

引用次数: 0

Abstract

Ultrasonication (US) is an emerging green modification technique in food science, yet its impact on starch-tea active ingredient interactions and digestibility remains underexplored. This study investigated the effects of US on maize starch (MS) complexed with epigallocatechin gallate (EGCG) and L-theanine (THE). US induced agglomeration and adhesion, increasing viscosity (p < 0.05) and enhancing the multi-scale structural order. The relative crystallinity increased to 30.82 %, improving thermal stability, while rapidly digestible starch decreased by 16.57 %, and resistant starch increased to 34.29 %. Pearson analysis indicated a strong correlation between starch digestibility and structural changes. Density functional theory calculations revealed hydrogen bonding and van der Waals forces as dominant interactions in MS-THE/EGCG complexes. These findings provide a theoretical basis for optimizing US conditions and enhancing the utilization of tea-derived bioactives in starch-based foods.

查看原文本刊更多论文

基于多尺度结构的超声处理对淀粉-茶氨酸- egcg复合物的影响及密度泛函理论计算的相互作用预测

超声处理技术是食品科学中一种新兴的绿色改性技术，但其对淀粉-茶活性成分相互作用和消化率的影响尚不清楚。本研究研究了US对玉米淀粉（MS）与表没食子儿茶素没食子酸酯（EGCG）和l -茶氨酸（the）复合物的影响。US诱导团聚和粘附，增加粘度(p <；0.05)，增强了多尺度结构秩序。相对结晶度提高到30.82%，提高了热稳定性，而快速消化淀粉降低了16.57%，抗性淀粉增加到34.29%。皮尔逊分析表明，淀粉消化率与结构变化之间存在很强的相关性。密度泛函理论计算表明，氢键和范德华力是ms - s /EGCG配合物中主要的相互作用。这些发现为优化美国条件和提高茶源生物活性物质在淀粉类食品中的利用提供了理论依据。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Food Chemistry: X CHEMISTRY, APPLIED-

CiteScore

4.90

自引率

6.60%

发文量

315

审稿时长

55 days

期刊介绍： Food Chemistry: X, one of three Open Access companion journals to Food Chemistry, follows the same aims, scope, and peer-review process. It focuses on papers advancing food and biochemistry or analytical methods, prioritizing research novelty. Manuscript evaluation considers novelty, scientific rigor, field advancement, and reader interest. Excluded are studies on food molecular sciences or disease cure/prevention. Topics include food component chemistry, bioactives, processing effects, additives, contaminants, and analytical methods. The journal welcome Analytical Papers addressing food microbiology, sensory aspects, and more, emphasizing new methods with robust validation and applicability to diverse foods or regions.