模型带电之间的相互作用的解揭示了对液体-液体相分离负责的关键因素
1School of Chemical Sciences, Indian Association for the Cultivation of Science, Kolkata 700032, India.
The journal of physical chemistry. B
|July 22, 2023
概括
具有低灵活性的正电荷有利于二分化和聚合,而负电荷往往会留在溶液中. 了解这些相互作用有助于控制治疗应用的液体-液体相分离.
科学领域:
- 生物化学 生物化学
- 生物物理学的生物物理.
- 计算生物学 计算生物学
背景情况:
- 液-液相分离 (LLPS) 在生物过程和疾病中至关重要.
- 了解蛋白质相互作用及其因外部因素的调制是控制LLPS和预防病态聚合的关键.
研究的目的:
- 研究类似带电之间的相互作用,以确定凝结物形成的分子驱动因素.
- 探索氨基酸序列的变化和外部条件如何影响LLPS行为.
主要方法:
- 全原子分子动力学模拟和温度良好的元动力学来计算二元体形成的自由能量表面 (FES).
- 研究的模型具有交替充电 (氨酸,谷氨酸) 和可变 (糖氨酸,氨酸,氨酸) 残留物.
- 采用了对系统的无偏模拟,在高盐度下使用氨.
主要成果:
- 具有较低灵活性的正电荷因疏水性和氨酸-氨酸相互作用而表现出有利的二分化.
- 从溶解中释放的水影响了正电荷的二分化自由能量.
- 负电荷的FES在很大程度上受水相互作用的影响.
- 在高盐度下,通过疏水和子-π相互作用聚合的具有氨酸的正电荷.
- 负电荷更有可能留在稀释阶段.
结论:
- 质电荷,灵活性和疏水性是LLPS的关键决定因素.
- 带正电荷的比负电荷的更容易聚合.
- 这些发现可以指导在治疗应用中对受控LLPS系统的设计.
相关概念视频
Capillary Electrophoresis: Applications
438
Capillary electrophoretic separations offer various modes, each with unique applications. These modes include capillary zone electrophoresis, capillary gel electrophoresis, capillary array electrophoresis, capillary isoelectric focusing, capillary isotachophoresis, micellar electrokinetic chromatography, and capillary electrochromatography.
Capillary zone electrophoresis (CZE) separates ionic components based on their electrophoretic mobility. It has been used to separate proteins, amino acids,...
Capillary zone electrophoresis (CZE) separates ionic components based on their electrophoretic mobility. It has been used to separate proteins, amino acids,...
438
Theories of Dissolution: The Danckwerts' Model and Interfacial Barrier Model
343
Various dissolution theories provide insight into the factors that influence the dissolution rate. Danckwerts' Model suggests that turbulence, rather than a stagnant layer, characterizes the dissolution medium at the solid-liquid interface. In this model, the agitated solvent contains macroscopic packets that move to the interface via eddy currents, facilitating the absorption and delivery of the drug to the bulk solution. The regular replenishment of solvent packets maintains the...
343
Colloidal precipitates
624
The high insolubility of some precipitates can result in an unfavorable relative supersaturation. This can lead to colloidal particles with a large surface-to-mass ratio, where adsorption is promoted. For instance, in the precipitation of silver chloride, silver ions are adsorbed on the surface of the colloidal particles, forming a primary layer. This layer attracts ions of opposite charge (such as nitrate ions), forming a diffuse secondary layer of adsorbed ions. This electric double layer...
624
Intermolecular Forces
58.7K
Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen...
58.7K


