Deciphering the key interfacial molecules and core structure contributing to fat globule stability in UHT Milk: Omics analysis and computer simulation

IF 11 1区农林科学 Q1 CHEMISTRY, APPLIED

Food Hydrocolloids Pub Date : 2025-06-25 DOI:10.1016/j.foodhyd.2025.111702

Yi Wang , Jinghua Yu , Fazheng Ren , Pengjie Wang , Peipei Wu , Mengyuan Guo , Wentao Qian , Menghui Wang , Jinhui Yang , Jie Luo

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Abstract

Creaming is an issue in UHT milk due to extended storage periods and higher storage temperatures. Therefore, this study aims to unravel the key interfacial molecules and core structure behind the stability of UHT milk fat globules. Raw milk from Holstein, Jersey, and goat breeds, which differ in interfacial components, was selected. The fat globules were standardized for particle size using the UHT system, and stability analysis was performed using Turbiscan to establish high, medium, and low stability fat globule models. Omics analysis revealed that the abundance of 3 interfacial proteins (butyrophilin, adipophilin, and xanthine oxidoreductase) and 2 interfacial phospholipids (phosphatidylserine and sphingomyelin) significantly increased as the fat globule stability increased. Support vector machine was used to identify key interfacial molecules. The results showed that the high abundance of butyrophilin, adipophilin, phosphatidylserine, and sphingomyelin contributed to fat globule stability. Molecular docking and CHARMM-GUI further determined that butyrophilin interacted with adipophilin mainly through hydrogen bonds (ΔG = −47.8 kcal/mol and interaction area = 3088.4 Å²). The abundance of this complex in high-stability fat globules was 2.2 times greater than that in medium-stability fat globules and 4.9 times greater than that in low-stability fat globules, respectively. We hypothesize that the butyrophilin-adipophilin complex may anchor both the inner monolayer and the outer bilayer, forming the backbone of the entire interface. Therefore, this study first reveals that the key molecules contributing to the stability of UHT milk fat globules are butyrophilin, adipophilin, phosphatidylserine, and sphingomyelin, with the butyrophilin-adipophilin complex serving as the core structure.

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解析UHT牛奶中脂肪球稳定性的关键界面分子和核心结构：组学分析和计算机模拟

由于超高温牛奶的储存时间延长和储存温度升高，形成乳脂是一个问题。因此，本研究旨在揭示UHT乳脂球稳定性背后的关键界面分子和核心结构。选择了界面成分不同的荷斯坦、泽西和山羊品种的原料奶。使用UHT系统对脂肪球进行粒度标准化，并使用Turbiscan进行稳定性分析，建立高、中、低稳定性脂肪球模型。组学分析显示，随着脂肪球稳定性的提高，3种界面蛋白（亲丁酸蛋白、亲脂蛋白和黄嘌呤氧化还原酶）和2种界面磷脂（磷脂酰丝氨酸和鞘磷脂）的丰度显著增加。采用支持向量机对关键界面分子进行识别。结果表明，高丰度的亲丁酸蛋白、亲脂蛋白、磷脂酰丝氨酸和鞘磷脂有助于脂肪球的稳定性。分子对接和CHARMM-GUI进一步确定了亲丁醇与亲脂素主要通过氢键相互作用（ΔG =−47.8 kcal/mol，相互作用面积= 3088.4 Å2）。这种复合物在高稳定性脂肪球中的丰度分别是中稳定性脂肪球的2.2倍和低稳定性脂肪球的4.9倍。我们假设亲丁醇-亲脂蛋白复合物可以锚定内单层和外双层，形成整个界面的骨干。因此，本研究首次揭示了影响超高温乳脂球稳定性的关键分子是亲丁醇、亲脂蛋白、磷脂酰丝氨酸和鞘磷脂，其中亲丁醇-亲脂蛋白复合物是核心结构。

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来源期刊

Food Hydrocolloids 工程技术-食品科技

CiteScore

19.90

自引率

14.00%

发文量

871

审稿时长

37 days

期刊介绍： Food Hydrocolloids publishes original and innovative research focused on the characterization, functional properties, and applications of hydrocolloid materials used in food products. These hydrocolloids, defined as polysaccharides and proteins of commercial importance, are added to control aspects such as texture, stability, rheology, and sensory properties. The research's primary emphasis should be on the hydrocolloids themselves, with thorough descriptions of their source, nature, and physicochemical characteristics. Manuscripts are expected to clearly outline specific aims and objectives, include a fundamental discussion of research findings at the molecular level, and address the significance of the results. Studies on hydrocolloids in complex formulations should concentrate on their overall properties and mechanisms of action, while simple formulation development studies may not be considered for publication. The main areas of interest are: -Chemical and physicochemical characterisation Thermal properties including glass transitions and conformational changes- Rheological properties including viscosity, viscoelastic properties and gelation behaviour- The influence on organoleptic properties- Interfacial properties including stabilisation of dispersions, emulsions and foams- Film forming properties with application to edible films and active packaging- Encapsulation and controlled release of active compounds- The influence on health including their role as dietary fibre- Manipulation of hydrocolloid structure and functionality through chemical, biochemical and physical processes- New hydrocolloids and hydrocolloid sources of commercial potential. The Journal also publishes Review articles that provide an overview of the latest developments in topics of specific interest to researchers in this field of activity.