Fluid of fused spheres as a model for protein solution
| Autor: | Yu. V. Kalyuzhnyi, M. Kastelic, Vojko Vlachy |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2016 |
| Předmět: |
Work (thermodynamics)
liquid-liquid transition Materials science Physics and Astronomy (miscellaneous) Monte Carlo method Thermodynamics FOS: Physical sciences non-spherical proteins 02 engineering and technology Condensed Matter - Soft Condensed Matter 010402 general chemistry 01 natural sciences directional forces Molecule Perturbation theory aggregation Hard spheres 021001 nanoscience & nanotechnology Condensed Matter Physics Protein solution lcsh:QC1-999 0104 chemical sciences Soft Condensed Matter (cond-mat.soft) SPHERES thermodynamic perturbation theory 0210 nano-technology lcsh:Physics |
| Zdroj: | Condensed Matter Physics, Vol 19, Iss 2, p 23801 (2016) |
| Popis: | In this work we examine thermodynamics of fluid with "molecules" represented by two fused hard spheres, decorated by the attractive square-well sites. Interactions between these sites are of short-range and cause association between the fused-sphere particles. The model can be used to study the non-spherical (or dimerized) proteins in solution. Thermodynamic quantities of the system are calculated using a modification of Wertheim's thermodynamic perturbation theory and the results compared with new Monte Carlo simulations under isobaric-isothermal conditions. In particular, we are interested in the liquid-liquid phase separation in such systems. The model fluid serves to evaluate the effect of the shape of the molecules, changing from spherical to more elongated (two fused spheres) ones. The results indicate that the effect of the non-spherical shape is to reduce the critical density and temperature. This finding is consistent with experimental observations for the antibodies of non-spherical shape. 12 pages, 5 figures |
| Databáze: | OpenAIRE |
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