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arXiv · 0901.1599

Ion specific effects on phase transitions in protein solutions

Steven Lettieri·Xiaofei Li·J. D. Gunton
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Abstract

A recent Monte Carlo simulation determined the potential of mean force between two lysozyme molecules in various aqueous solutions [M. Lund et al. Phys. Rev. Lett. 100, 258105 (2008)]. The study involved a combination of explicit solvent and continuum model simulations and showed that there are significant ion-specific protein-protein interactions due to hydrophobic patches on the protein surfaces. In this paper we use the results of their study to determine the phase diagram for lysozyme for aqueous solutions of NaCl and NaI. Two of the three phase diagrams have a stable fluid-fluid critical point, while the third has a slightly metastable critical point. This results from a secondary extremum in the potential associated with a repulsive interaction. This repulsive interaction reduces the effective range of the attractive interaction and produces a metastable critical point. We compare the results of one of these phase diagrams with that for a model that includes ion-dispersion forces, but does not contain solvent structural effects.

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Steven Lettieri, Xiaofei Li, J. D. Gunton. 2009-01-12. Ion specific effects on phase transitions in protein solutions. https://doi.org/10.1103/physreve.79.031904

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