Effect of Salt Identity on the Phase Diagram for a Globular Protein in aqueous Electolyte Solution

Date

2007

Authors

Bostrom, Mathias Anders
Tavares, Frederico W
Ninham, Barry
Prausnitz , John M

Journal Title

Journal ISSN

Volume Title

Publisher

American Chemical Society

Abstract

Monte Carlo simulations are used to establish the potential of mean force between two globular proteins in an aqueous electrolyte solution. This potential includes nonelectrostatic contributions arising from dispersion forces first, between the globular proteins, and second, between ions in solution and between each ion and the globular protein. These latter contributions are missing from standard models. The potential of mean force, obtained from simulation, is fitted to an analytic equation. Using our analytic potential of mean force and Barker-Henderson perturbation theory, we obtain phase diagrams for lysozyme solutions that include stable and metastable fluid-fluid and solid-fluid phases when the electrolyte is 0.2 M NaSCN or NaI or NaCl. The nature of the electrolyte has a significant effect on the phase diagram.

Description

Keywords

Keywords: Barker-Henderson perturbation theory; Dispersion forces; Computer simulation; Dispersions; Electrolytes; Mathematical models; Phase diagrams; Solutions; Proteins; electrolyte; inorganic salt; ion; lysozyme; article; chemistry; computer simulation; metabol

Citation

Source

Journal of Physical Chemistry B

Type

Journal article

Book Title

Entity type

Access Statement

License Rights

DOI

10.1021/jp061191g

Restricted until

2037-12-31