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Simple Calculation of Phase Diagrams for Liquid–Liquid Phase Separation in Solutions of Two Macromolecular Solute Species
[Image: see text] A simple method is described for the calculation of two- and three-dimensional phase diagrams describing stability and coexistence curves or surfaces separating one- and two-phase regions in composition/temperature space of a solution containing solute species 1 and 2. The calculat...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical
Society
2020
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7104237/ https://www.ncbi.nlm.nih.gov/pubmed/32118433 http://dx.doi.org/10.1021/acs.jpcb.0c00402 |
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author | Minton, Allen P. |
author_facet | Minton, Allen P. |
author_sort | Minton, Allen P. |
collection | PubMed |
description | [Image: see text] A simple method is described for the calculation of two- and three-dimensional phase diagrams describing stability and coexistence curves or surfaces separating one- and two-phase regions in composition/temperature space of a solution containing solute species 1 and 2. The calculation requires a quantitative description of the intermolecular potentials of mean force acting between like (1–1 and 2–2) and unlike (1–2) species. Example calculations are carried out for solutions of species interacting via spherically symmetric square-well potentials as first-order models for protein–protein interaction. When the interaction between species 1 and 2 is more repulsive than those acting between like species, the two-phase region is characterized by an equilibrium between a phase enriched in 1 and depleted in 2 and a phase enriched in 2 and depleted in 1. When the interaction between species 1 and 2 is more attractive than those acting between like species, the two-phase region is characterized by an equilibrium between a phase enriched in both species and a phase depleted in both species. The latter example provides a first-order description of coacervate formation without postulating specific interactions between the two solute species. |
format | Online Article Text |
id | pubmed-7104237 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | American Chemical
Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-71042372020-03-31 Simple Calculation of Phase Diagrams for Liquid–Liquid Phase Separation in Solutions of Two Macromolecular Solute Species Minton, Allen P. J Phys Chem B [Image: see text] A simple method is described for the calculation of two- and three-dimensional phase diagrams describing stability and coexistence curves or surfaces separating one- and two-phase regions in composition/temperature space of a solution containing solute species 1 and 2. The calculation requires a quantitative description of the intermolecular potentials of mean force acting between like (1–1 and 2–2) and unlike (1–2) species. Example calculations are carried out for solutions of species interacting via spherically symmetric square-well potentials as first-order models for protein–protein interaction. When the interaction between species 1 and 2 is more repulsive than those acting between like species, the two-phase region is characterized by an equilibrium between a phase enriched in 1 and depleted in 2 and a phase enriched in 2 and depleted in 1. When the interaction between species 1 and 2 is more attractive than those acting between like species, the two-phase region is characterized by an equilibrium between a phase enriched in both species and a phase depleted in both species. The latter example provides a first-order description of coacervate formation without postulating specific interactions between the two solute species. American Chemical Society 2020-03-02 2020-03-26 /pmc/articles/PMC7104237/ /pubmed/32118433 http://dx.doi.org/10.1021/acs.jpcb.0c00402 Text en Copyright © 2020 American Chemical Society This is an open access article published under an ACS AuthorChoice License (http://pubs.acs.org/page/policy/authorchoice_termsofuse.html) , which permits copying and redistribution of the article or any adaptations for non-commercial purposes. |
spellingShingle | Minton, Allen P. Simple Calculation of Phase Diagrams for Liquid–Liquid Phase Separation in Solutions of Two Macromolecular Solute Species |
title | Simple Calculation of Phase Diagrams for Liquid–Liquid
Phase Separation in Solutions of Two Macromolecular Solute Species |
title_full | Simple Calculation of Phase Diagrams for Liquid–Liquid
Phase Separation in Solutions of Two Macromolecular Solute Species |
title_fullStr | Simple Calculation of Phase Diagrams for Liquid–Liquid
Phase Separation in Solutions of Two Macromolecular Solute Species |
title_full_unstemmed | Simple Calculation of Phase Diagrams for Liquid–Liquid
Phase Separation in Solutions of Two Macromolecular Solute Species |
title_short | Simple Calculation of Phase Diagrams for Liquid–Liquid
Phase Separation in Solutions of Two Macromolecular Solute Species |
title_sort | simple calculation of phase diagrams for liquid–liquid
phase separation in solutions of two macromolecular solute species |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7104237/ https://www.ncbi.nlm.nih.gov/pubmed/32118433 http://dx.doi.org/10.1021/acs.jpcb.0c00402 |
work_keys_str_mv | AT mintonallenp simplecalculationofphasediagramsforliquidliquidphaseseparationinsolutionsoftwomacromolecularsolutespecies |