scholarly journals Fragility, Stokes–Einstein violation, and correlated local excitations in a coarse-grained model of an ionic liquid

2010 ◽  
Vol 12 (8) ◽  
pp. 2001 ◽  
Author(s):  
Daun Jeong ◽  
M. Y. Choi ◽  
Hyung J. Kim ◽  
YounJoon Jung
Keyword(s):  
Ionic Liquid ◽  
Coarse Grained ◽  
Coarse Grained Model

A coarse-grained model of ionic liquid crystals: the effect of stoichiometry on the stability of the ionic nematic phase

2019 ◽  
Vol 21 (36) ◽  
pp. 20327-20337 ◽  
Author(s):  
Giacomo Saielli ◽  
Katsuhiko Satoh
Keyword(s):  
Ionic Liquid ◽  
Nematic Phase ◽  
Stoichiometric Composition ◽  
Charged Particles ◽  
Coarse Grained ◽  
Thermal Range ◽  
Coarse Grained Model ◽  
Lennard Jones ◽  
Ionic Liquid Crystals ◽  
The Stability

The thermal range of the ionic nematic phase is strongly influenced by the stoichiometric composition of the [GB]n[LJ]msalt in mixtures of Gay-Berne and Lennard-Jones charged-particles.

Insights Into Crowding Effects on Protein Stability From a Coarse-Grained Model

2009 ◽  
Vol 131 (7) ◽  
Author(s):  
Vincent K. Shen ◽  
Jason K. Cheung ◽  
Jeffrey R. Errington ◽  
Thomas M. Truskett
Keyword(s):  
Protein Stability ◽  
Coarse Grained ◽  
Protein Solutions ◽  
Native State ◽  
High Concentration ◽  
Coarse Grained Model ◽  
Excluded Volume Effects ◽  
Thermodynamic Phase ◽  
Broad Interest ◽  
Liquid Liquid Phase Separation

Proteins aggregate and precipitate from high concentration solutions in a wide variety of problems of natural and technological interest. Consequently, there is a broad interest in developing new ways to model the thermodynamic and kinetic aspects of protein stability in these crowded cellular or solution environments. We use a coarse-grained modeling approach to study the effects of different crowding agents on the conformational equilibria of proteins and the thermodynamic phase behavior of their solutions. At low to moderate protein concentrations, we find that crowding species can either stabilize or destabilize the native state, depending on the strength of their attractive interaction with the proteins. At high protein concentrations, crowders tend to stabilize the native state due to excluded volume effects, irrespective of the strength of the crowder-protein attraction. Crowding agents reduce the tendency of protein solutions to undergo a liquid-liquid phase separation driven by strong protein-protein attractions. The aforementioned equilibrium trends represent, to our knowledge, the first simulation predictions for how the properties of crowding species impact the global thermodynamic stability of proteins and their solutions.

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