Shear-induced rotation enhances protein adsorption

IF 5.4 2区医学 Q1 BIOPHYSICS

Colloids and Surfaces B: Biointerfaces Pub Date : 2025-01-08 DOI:10.1016/j.colsurfb.2025.114508

Zhengfu Zhang , Kaixuan Lyu , Bo Peng , Hongbo Chen , Quan Chen , Chuanfu Luo , Dapeng Wang

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引用次数: 0

Abstract

Theories predicted that shear promotes desorption, but due to the presence of factors such as aggregation effects, it is difficult to observe how shear influences the adsorption and desorption of individual protein molecules. In this study, we employed high-throughput single-molecule tracking and molecular dynamics simulations to investigate how shear flow affects the adsorption kinetics of plasma proteins (including human serum albumin, immunoglobulin G, and fibrinogen) at solid-liquid interfaces. Over the studied shear rate range of 0 – 10³ s⁻¹, shear stress did not trigger the protein desorption. Notably, we observed a significant increase, up to two orders of magnitude, in the adsorption rate constants k_a, in the dilute limit at solid-liquid interfaces. However, this shear-induced increase in k_a diminished with increasing the protein concentrations. At least in the scenarios studied, these trends were consistent across all three types of proteins and two types of surfaces investigated. Through a systematic analysis combining control experiments, coarse-grained, and all-atom molecular dynamics simulations, we identified that the shear-induced increase in k_a could be attributed to enhanced protein rotational diffusion, thereby increasing the likelihood of favorable surface proximity for adsorption.

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剪切引起的旋转增强了蛋白质吸附。

理论预测剪切促进了解吸，但由于聚集效应等因素的存在，很难观察到剪切如何影响单个蛋白质分子的吸附和解吸。在这项研究中，我们采用高通量单分子跟踪和分子动力学模拟来研究剪切流动如何影响血浆蛋白（包括人血清白蛋白、免疫球蛋白G和纤维蛋白原）在固液界面的吸附动力学。在0 ~ 103 s-1的剪切速率范围内，剪切应力没有触发蛋白质的脱附。值得注意的是，我们观察到吸附速率常数ka在固液界面的稀释极限上显著增加了两个数量级。然而，随着蛋白质浓度的增加，这种剪切诱导的ka增加减少。至少在研究的场景中，这些趋势在所有三种类型的蛋白质和两种类型的表面上是一致的。通过结合对照实验、粗粒度和全原子分子动力学模拟的系统分析，我们发现剪切诱导的ka增加可归因于蛋白质旋转扩散的增强，从而增加了有利于吸附的表面接近的可能性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Colloids and Surfaces B: Biointerfaces 生物-材料科学：生物材料

CiteScore

11.10

自引率

3.40%

发文量

730

审稿时长

42 days

期刊介绍： Colloids and Surfaces B: Biointerfaces is an international journal devoted to fundamental and applied research on colloid and interfacial phenomena in relation to systems of biological origin, having particular relevance to the medical, pharmaceutical, biotechnological, food and cosmetic fields. Submissions that: (1) deal solely with biological phenomena and do not describe the physico-chemical or colloid-chemical background and/or mechanism of the phenomena, and (2) deal solely with colloid/interfacial phenomena and do not have appropriate biological content or relevance, are outside the scope of the journal and will not be considered for publication. The journal publishes regular research papers, reviews, short communications and invited perspective articles, called BioInterface Perspectives. The BioInterface Perspective provide researchers the opportunity to review their own work, as well as provide insight into the work of others that inspired and influenced the author. Regular articles should have a maximum total length of 6,000 words. In addition, a (combined) maximum of 8 normal-sized figures and/or tables is allowed (so for instance 3 tables and 5 figures). For multiple-panel figures each set of two panels equates to one figure. Short communications should not exceed half of the above. It is required to give on the article cover page a short statistical summary of the article listing the total number of words and tables/figures.