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首页> 外文期刊>The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical >Salting-in with a Salting-out Agent: Explaining the Cation Specific Effects on the Aqueous Solubility of Amino Acids
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Salting-in with a Salting-out Agent: Explaining the Cation Specific Effects on the Aqueous Solubility of Amino Acids

机译：用盐析剂盐析：解释阳离子对氨基酸水溶解度的影响

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摘要

Although the understanding of ion specific effects on the aqueous solubilities of biomolecules is crucial for the development of many areas of biochemistry and life sciences, a consensual and well-supported molecular picture of the phenomena has not yet been established. Mostly, the influence of cations and the nature of the molecular interactions responsible for the reversal of the Hofmeister trend in aqueous solutions of amino acids and proteins are still defectively understood. Aiming at contributing to the understanding of the molecular-level mechanisms governing the cation specific effects on the aqueous solubilities of biocompounds, experimental solubility measurements and classical molecular dynamics simulations were performed for aqueous solutions of three amino acids (alanine, valine, and isoleucine), in the presence of a series of inorganic salts. The evidence gathered suggests that the mechanism by which salting-in inducing cations operate in aqueous solutions of amino acids is different from that of anions, and allows for a novel and consistent molecular description of the effect of the cation on the solubility based on specific interactions of the cations with the negatively charged moieties of the biomolecules.
机译：尽管对离子特异性作用对生物分子的水溶性的理解对于生物化学和生命科学许多领域的发展至关重要，但尚未建立这种现象的共识性和良好支持的分子图像。大多数情况下，人们对氨基酸和蛋白质水溶液中阳离子的影响以及导致霍夫迈斯特趋势逆转的分子相互作用的性质仍知之甚少。为了有助于理解控制阳离子对生物化合物的水溶性的分子水平机制的作用，对三种氨基酸（丙氨酸，缬氨酸和异亮氨酸）的水溶液进行了实验溶解度测量和经典分子动力学模拟，在一系列无机盐的存在下。收集到的证据表明，在氨基酸水溶液中诱导盐析的阳离子的机理不同于阴离子的机理，并且可以基于特定的相互作用对阳离子对溶解度的影响进行新颖一致的分子描述。带有带负电荷的生物分子的阳离子。

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