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The formation of a solution is an example of a spontaneous process, which is a process that occurs under specified conditions without energy from some external source.
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Solubility equilibria are established when the dissolution and precipitation of a solute species occur at equal rates. These equilibria underlie many natural and technological processes, ranging from tooth decay to water purification. An understanding of the factors affecting compound solubility is, therefore, essential to the effective management of these processes. This section applies previously introduced equilibrium concepts and tools to systems involving dissolution and precipitation.
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When a substance such as sodium chloride is added to water, it dissolves, forming an aqueous solution. The extent of dissolution is called solubility. The process of dissolution can exist in equilibrium, just like other chemical processes. Solubility equilibria are also called precipitation equilibria because the process of solubility can be reversible. The reverse of the solubility process is called precipitation.
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在使用分子动力学模拟的各种深层欧性溶剂中,酶的稳定性.

Akshatha Hebbar1, Poulumi Dey2, Anoop Kishore Vatti1

  • 1Department of Chemical Engineering, Manipal Institute of Technology (MIT), Manipal Academy of Higher Education (MAHE), Manipal, India.

Journal of biomolecular structure & dynamics
|November 1, 2023
PubMed
概括

深度浸泡溶剂 (DES) 可以稳定像酶这样的蛋白质. 分子动力学模拟表明,DES提供比水更刚性的蛋白质结构,增强工业应用的稳定性.

关键词:
莱索酶是什么 莱索酶是什么深层欧性溶剂 深层欧性溶剂分子动力学模拟,分子动力学模拟蛋白质-DESs相互作用稳定的稳定性 稳定的稳定性

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科学领域:

  • 生物化学 生物化学
  • 计算化学计算化学
  • 材料科学 材料科学 材料科学

背景情况:

  • 蛋白质,包括酶和治疗剂,容易因工业压力而变质.
  • 深度浸泡溶剂 (DES) 正在成为蛋白质的潜在稳定剂.

研究的目的:

  • 为了研究各种基于胆化物的DESs对模型蛋白质lyszyme的结构稳定性的影响.
  • 用分子动力学模拟来比较DES中的蛋白质行为与水.

主要方法:

  • 在水中和六种不同的DES中对酶的分子动力学模拟.
  • 分析根平均平方偏差 (RMSD),根平均平方波动 (RMSF),旋转半径和端到端距离.
  • 通过结和辐射分布函数 (RDF) 评估蛋白质溶剂相互作用.

主要成果:

  • 与水相比,大多数DESs导致了更为刚性的酶结构.
  • 雷林和勒林促进了蛋白质的紧性,而氧素则导致了扩张.
  • 马利辛和牛素的表面积暴露增加表明残留物与溶剂的相互作用更大.

结论:

  • 某些DESs,特别是基于reline,levuline和polyol的DESs,可以稳定lyszyme.
  • 尽管有轻微的结构变化,但DES提供了水的有希望的替代品,用于在压力下保持蛋白质完整性.