Effect of salt identity on the phase diagram for a globularprotein in aqueous electrolyte solution

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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 ... continued below

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Bostrom, Mathias; Tavares, Frederico W.; Ninham, Barry W. & Prausnitz, John M. February 22, 2006.

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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.

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  • Journal Name: Journal of Physical Chemistry B; Journal Volume: 110; Journal Issue: 48; Related Information: Journal Publication Date: 11/07/2006

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  • Report No.: LBNL--59857
  • Grant Number: DE-AC02-05CH11231
  • DOI: 10.1021/jp061191g | External Link
  • Office of Scientific & Technical Information Report Number: 919763
  • Archival Resource Key: ark:/67531/metadc896810

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  • February 22, 2006

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  • Sept. 27, 2016, 1:39 a.m.

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  • Dec. 16, 2016, 1:03 p.m.

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Bostrom, Mathias; Tavares, Frederico W.; Ninham, Barry W. & Prausnitz, John M. Effect of salt identity on the phase diagram for a globularprotein in aqueous electrolyte solution, article, February 22, 2006; United States. (digital.library.unt.edu/ark:/67531/metadc896810/: accessed June 17, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.