Excluded volume effect and orientational ordering near charged surface in solution of ions and Langevin dipoles

Iglič, Aleš; Gongadze, Ekaterina; Bohinc, Klemen

doi:10.1016/j.bioelechem.2010.05.003

Cited by 93 publications

(129 citation statements)

References 36 publications

Supporting

Mentioning

124

Contrasting

Order By: Relevance

“…In accordance with the results of other authors (Butt et al 2003;Iglič et al 2010), it can be concluded that due to the preferential orientation of water dipoles in the close vicinity of the charged membrane surface, the effective permittivity ε eff near the membrane surface is reduced relative to its bulk value. The decrease of ε eff is more pronounced for larger values of σ (Fig.…”

Section: Theoretical Predictionssupporting

confidence: 91%

“…The Langevin dipole describes the water molecule with a non-zero dipole moment (p). Recently, using the calculus of variation, the ion and water number density profiles corresponding to the minimum free energy (consisting of electrostatic field energy, translational entropy of ions and orientational entropy of water Langevin dipoles) of the system were calculated within a lattice-statistical model (Iglič et al 2010 …”

Section: Theoretical Predictionsmentioning

confidence: 99%

“…In the presented model, the dielectric permittivity is consistently related to the distribution of electric field strength and distribution of ions. The water molecules were modeled as Langevin dipoles (Outhwaite 1976(Outhwaite , 1983Coalson and Duncan 1996;Iglič et al 2010), which is considered a very rough treatment of the dielectric properties of the solvent (Booth 1951).…”

Section: Introductionmentioning

confidence: 99%

“…The finite volume of ions (Bikerman 1942;Kralj-Iglič and Iglič 1996;Lamperski and Outhwaite 2002;Iglič et al 2010) in the electrolyte solution (i.e. the excluded volume effect) is not taken into account.…”

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Langevin Poisson-Boltzmann equation: point-like ions and water dipoles near a charged surface

Gongadze

Rienen²,

Kralj-Iglič³

et al. 2011

gpb

104

View full text Add to dashboard Cite

Abstract. Water ordering near a charged membrane surface is important for many biological processes such as binding of ligands to a membrane or transport of ions across it. In this work, the mean-field Poisson-Boltzmann theory for point-like ions, describing an electrolyte solution in contact with a planar charged surface, is modified by including the orientational ordering of water. Water molecules are considered as Langevin dipoles, while the number density of water is assumed to be constant everywhere in the electrolyte solution. It is shown that the dielectric permittivity of an electrolyte close to a charged surface is decreased due to the increased orientational ordering of water dipoles. The dielectric permittivity close to the charged surface is additionally decreased due to the finite size of ions and dipoles.

show abstract

Section: Theoretical Predictionssupporting

confidence: 91%

Section: Theoretical Predictionsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Langevin Poisson-Boltzmann equation: point-like ions and water dipoles near a charged surface

Gongadze

Rienen²,

Kralj-Iglič³

et al. 2011

gpb

104

View full text Add to dashboard Cite

show abstract

“…3 takes into account the finite size of ions and the spatial variation of relative permittivity due to orientational ordering of water molecules near the charged surface of the BAR domain. The following boundary conditions were taken into account [20][21][22]:…”

Section: The Modelmentioning

confidence: 99%

Exploring the binding dynamics of BAR proteins

Kabaso¹,

Gongadze²,

Jorgačevski³

et al. 2011

Cellular and Molecular Biology Letters

Self Cite

View full text Add to dashboard Cite

Abstract:We used a continuum model based on the Helfrich free energy to investigate the binding dynamics of a lipid bilayer to a BAR domain surface of a crescent-like shape of positive (e.g. I-BAR shape) or negative (e.g. F-BAR shape) intrinsic curvature. According to structural data, it has been suggested that negatively charged membrane lipids are bound to positively charged amino acids at the binding interface of BAR proteins, contributing a negative binding energy to the system free energy. In addition, the cone-like shape of negatively charged lipids on the inner side of a cell membrane might contribute a positive intrinsic curvature, facilitating the initial bending towards the crescent-like shape of the BAR domain. In the present study, we hypothesize that in the limit of a rigid BAR domain shape, the negative binding energy and the coupling between the intrinsic curvature of negatively charged lipids and the membrane curvature drive the bending of the membrane. To estimate the binding energy, the electric potential at the charged surface of a BAR domain was calculated using the Langevin-Bikerman equation. Results of numerical simulations reveal that the binding energy is important for the initial instability (i.e. bending of a membrane), while the coupling between the intrinsic shapes of lipids and membrane curvature could be crucial for the curvature-dependent aggregation of negatively charged lipids near the surface of the BAR domain. In the discussion,

show abstract

Mean Field Electrostatics Beyond the Point Charge Description

Frydel¹

2016

Advances in Chemical Physics

View full text Add to dashboard Cite

This review explores the number of mean-field constructions for ions whose structure goes beyond the point-charge description, a representation used in the standard Poisson-Boltzmann equation. The exploration is motivated by a body of experimental work which indicates that ion-specific effects play a significant role, where ions of the same valence charge but different size, polarizability, or shape yield quite different, and sometimes surprising results. Furthermore, there are many large ions encountered in soft-matter and biophysics that do not fit into a point-charge description, and their extension in space and shape must be taken into account of any reasonable representation.

show abstract

Excluded volume effect and orientational ordering near charged surface in solution of ions and Langevin dipoles

Cited by 93 publications

References 36 publications

Langevin Poisson-Boltzmann equation: point-like ions and water dipoles near a charged surface

Langevin Poisson-Boltzmann equation: point-like ions and water dipoles near a charged surface

Exploring the binding dynamics of BAR proteins

Mean Field Electrostatics Beyond the Point Charge Description

Contact Info

Product

Resources

About