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由电荷异质性驱动的液-液相分离。

Liquid-liquid phase separation driven by charge heterogeneity.

作者信息

Notarmuzi Daniele, Bianchi Emanuela

机构信息

Institut für Theoretische Physik, TU Wien, Wiedner Hauptstraße 8-10, A-1040 Wien, Austria.

CNR-ISC, Uos Sapienza, Piazzale A. Moro 2, 00185 Roma, Italy.

出版信息

Commun Phys. 2024;7(1):412. doi: 10.1038/s42005-024-01875-4. Epub 2024 Dec 19.

Abstract

Despite the intrinsic charge heterogeneity of proteins plays a crucial role in the liquid-liquid phase separation (LLPS) of a broad variety of protein systems, our understanding of the effects of their electrostatic anisotropy is still in its early stages. We approach this issue by means of a coarse-grained model based on a robust mean-field description that extends the DLVO theory to non-uniformly charged particles. We numerically investigate the effect of surface charge patchiness and net particle charge on varying these features independently and with the use of a few parameters only. The effect of charge anisotropy on the LLPS critical point is rationalized via a thermodynamic-independent parameter based on orientationally averaged pair properties, that estimates the particle connectivity and controls the propensity of the liquid phase to condensate. We show that, even though directional attraction alone is able to lower the particle bonding valence-thus shifting the critical point towards lower temperatures and densities-directional repulsion significantly and systematically diminishes the particle functionality, thus further reducing the critical parameters. This electrostatically-driven shift can be understood in terms of the additional morphological constraints introduced by the directional repulsion, that hinder the condensation of dense aggregates.

摘要

尽管蛋白质固有的电荷异质性在多种蛋白质系统的液-液相分离(LLPS)中起着关键作用,但我们对其静电各向异性影响的理解仍处于早期阶段。我们通过基于稳健平均场描述的粗粒化模型来处理这个问题,该模型将DLVO理论扩展到非均匀带电粒子。我们通过数值研究表面电荷斑块性和粒子净电荷对这些特征的独立变化以及仅使用几个参数的影响。电荷各向异性对LLPS临界点的影响通过基于取向平均对性质的热力学无关参数进行合理化,该参数估计粒子连通性并控制液相凝聚的倾向。我们表明,即使仅定向吸引力就能降低粒子键合价——从而将临界点移向更低的温度和密度——定向排斥会显著且系统地降低粒子功能,从而进一步降低临界参数。这种由静电驱动的转变可以根据定向排斥引入的额外形态约束来理解,这些约束阻碍了致密聚集体的凝聚。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ada9/11721519/79ed2e48a413/42005_2024_1875_Fig1_HTML.jpg

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