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首页> 外文期刊>Proceedings of the National Academy of Sciences of the United States of America >Gas-liquid transfer data used to analyze hydrophobic hydration and find the nature of the Kauzmann-Tanford hydrophobic factor
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Gas-liquid transfer data used to analyze hydrophobic hydration and find the nature of the Kauzmann-Tanford hydrophobic factor

机译:气液转移数据用于分析疏水水合并发现Kauzmann-Tanford疏水因子的性质

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摘要

Hydrophobic free energy for protein folding is currently measured by liquid-liquid transfer, based on an analogy between the folding process and the transfer of a nonpolar solute from water into a reference solvent. The second part of the analogy (transfer into a nonaqueous solvent) is dubious and has been justified by arguing that transfer out of water probably contributes the major part of the free energy change. This assumption is wrong: transfer out of water contributes no more than half the total, often less. Liquid-liquid transfer of the solute from water to liquid alkane is written here as the sum of 2 gas-liquid transfers: (i) out of water into vapor, and (//) from vapor into liquid alkane. Both gas-liquid transfers have known free energy values for several alkane solutes. The comparable values of the two different transfer reactions are explained by the values, determined in 1991 for three alkane solutes, of the cavity work and the solute-solvent interaction energy. The transfer free energy is the difference between the positive cavity work and the negative solute-solvent interaction energy. The interaction energy has similar values in water and liquid alkane that are intermediate in magnitude between the cavity work in water and in liquid alkane. These properties explain why the transfer free energy has comparable values (with opposite signs) in the two transfers. The current hydrophobic free energy is puzzling and poorly defined and needs a new definition and method of measurement.
机译:基于折叠过程与非极性溶质从水到参比溶剂的转移之间的类比,目前通过液-液转移来测量蛋白质折叠的疏水性自由能。类推的第二部分(转移到非水溶剂中)是可疑的,并且通过论证从水中转移可能是自由能变化的主要部分而得到论证。这个假设是错误的:从水中转移出的水量不超​​过总数的一半,通常更少。溶质从水到液状烷烃的液-液转移在此处记为两种气-液转移的总和:(i)从水变成蒸气,和//从蒸气变成液态烷烃。两种气-液转移都具有几种烷烃溶质的自由能值。 1991年确定的三种烷烃溶质的空穴功和溶质与溶剂的相互作用能解释了两种不同转移反应的可比值。转移自由能是正腔功与负溶质-溶剂相互作用能之差。相互作用能在水和液态烷烃中具有相似的值,其大小介于水中的腔体功和液态烷烃之间。这些性质解释了为什么在两次转移中转移自由能具有可比较的值(带有相反的符号)。当前的疏水性自由能令人费解,定义不清,需要一种新的定义和测量方法。

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