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首页> 外文期刊>The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical >Equilibrium Dialysis Data and the Relationships between Preferential Interaction Parameters for Biological Systems in Terms of Kirkwood-Buff Integrals
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Equilibrium Dialysis Data and the Relationships between Preferential Interaction Parameters for Biological Systems in Terms of Kirkwood-Buff Integrals

机译:柯克伍德-布夫积分的生物系统平衡透析数据与优先相互作用参数之间的关系

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摘要

Equilibrium dialysis data has provided valuable information concerning the preferential interaction of a cosolvent with a biomolecule in aqueous solutions.Here,we formulate the experimental data in terms of Kirkwood-Buff(KB)theory,resulting in equations that provide a simple physical picture of the dialysis experiment and thereby the interaction of a cosolvent with a biomolecule.These results are then used to establish exact relationships between preferential interaction coefficients,defined in different ensembles and/or using different concentration scales,in terms of KB integrals.It is then argued that the molality based equilibrium dialysis data represent the situation most relevant to computer simulations performed in either open or closed systems.
机译:平衡透析数据为共溶剂与生物分子在水溶液中的优先相互作用提供了有价值的信息。在此,我们根据柯克伍德-布夫(KB)理论来公式化实验数据,得出的方程式提供了简单的物理图像。渗析实验以及助溶剂与生物分子的相互作用,然后将这些结果用于建立优先相互作用系数之间的确切关系,这些优先相互作用系数在KB积分方面和/或使用不同的浓度标度,以KB积分表示。基于摩尔浓度的平衡透析数据表示与在开放或封闭系统中执行的计算机模拟最相关的情况。

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