Separation of ions from aqueous solutions by the use of hydrophilic membranes can be described by the charge regulation (CR) model. This is an approach in which the Poisson-Boltzmann equation is combined with a boundary condition at the surface that relates the local ion concentrations in the soluti
Modeling the electrophoresis of highly charged peptides: Application to oligolysines
β Scribed by Hengfu Wu; Stuart A. Allison; Catherine Perrin; Herve Cottet
- Publisher
- John Wiley and Sons
- Year
- 2012
- Tongue
- English
- Weight
- 196 KB
- Volume
- 35
- Category
- Article
- ISSN
- 1615-9306
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β¦ Synopsis
Abstract
The βcoarseβgrainedβ bead modeling methodology, BMM, is generalized to treat electrostatics at the level of the nonlinear PoissonβBoltzmann equation. This improvement makes it more applicable to the important class of highly charged macroions and highly charged peptides in particular. In the present study, the new nonlinear PoissonβBoltzmann, NLPBβBMM procedure is applied to the free solution electrophoretic mobility of low molecular mass oligolysines (degree of polymerization 1β8) in lithium phosphate buffer at pH 2.5. The ionic strength is varied from 0.01 to 0.10βM) and the temperature is varied from 25 to 50Β°C. In order to obtain quantitative agreement between modeling and experiment, a small amount of specific phosphate binding must be included in modeling. This binding is predicted to increase with increasing temperature and ionic strength.
π SIMILAR VOLUMES
An improved point-charge model has been applied to study the relatively close-packing crystal Hg 2 F 2 compound. For this model, the point-charge values used for de5ning the Madelung potential are based on Mulliken population analysis, and then spherical expansions are made for the point charges. Bo
The charge regulation concept is combined with the Navier-Stokes and Nernst-Planck equations to describe the ion retention of nanofiltration membranes consisting of narrow cylindrical pores. The charge regulation approach replaces the assumption of a constant charge or a constant potential at the me
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