Hofmeister effects in membrane biology: The role of ionic dispersion potentials

Boström, Mathias; Williams, D. R. M.; Stewart, P. R.; Ninham, Barry W.

doi:10.1103/physreve.68.041902

Cited by 57 publications

(62 citation statements)

References 43 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…Note that, although these effects can be important, preferential hydration and ion-ion competition are not routinely considered in simulations, mainly due to limitations in current computational methodology. While there is active work in improving the theoretical and computational treatment of these effects (Boström et al, 2003;Shimizu, 2004;Shimizu and Smith, 2004;Broering and Bommarius, 2005;Zhou, 2005;Boström et al, 2006), they are currently beyond the scope of this chapter.…”

Section: Iia Biomolecule-ion Interactionsmentioning

confidence: 99%

Computational Methods for Biomolecular Electrostatics

Dong

Olsen

Baker

2008

Methods in Cell Biology

116

View full text Add to dashboard Cite

An understanding of intermolecular interactions is essential for insight into how cells develop, operate, communicate and control their activities. Such interactions include several components: contributions from linear, angular, and torsional forces in covalent bonds, van der Waals forces, as well as electrostatics. Among the various components of molecular interactions, electrostatics are of special importance because of their long range and their influence on polar or charged molecules, including water, aqueous ions, and amino or nucleic acids, which are some of the primary components of living systems. Electrostatics, therefore, play important roles in determining the structure, motion and function of a wide range of biological molecules. This chapter presents a brief overview of electrostatic interactions in cellular systems with a particular focus on how computational tools can be used to investigate these types of interactions.

show abstract

Section: Iia Biomolecule-ion Interactionsmentioning

confidence: 99%

Computational Methods for Biomolecular Electrostatics

Dong

Olsen

Baker

2008

Methods in Cell Biology

116

View full text Add to dashboard Cite

show abstract

“…The binding mechanism itself is not yet understood. A first quantitative analytical attempt (28,35,36) is still under experimental testing using basic observables such as surface tension and ion pair formation (28,37,38).…”

Section: Salt Screening (Low Vs High Frequencies)mentioning

confidence: 99%

Salt screening and specific ion adsorption determine neutral-lipid membrane interactions

Petrache

Zemb

Belloni

et al. 2006

Proc. Natl. Acad. Sci. U.S.A.

259

306

View full text Add to dashboard Cite

The simplest, single-component biological membrane challenges accepted models of macromolecular interactions: lipid lamellar phases swell when immersed in monovalent salt solutions. Moreover, typical of a Hofmeister series, Br salts swell multilayers more than Cl salts, offering an excellent opportunity to investigate long-standing questions of ionic specificity. In accord with earlier measurements of liposome mobilities in electric fields, we find an added electrostatic repulsion of membranes due to anion binding, with a much stronger Br binding compared with Cl. However, contrary to the expectation that electrostatic repulsion should vanish in high salinity, swelling of lipid multilayers is monotonic with increasing salt concentration for both Br and Cl salts. The apparent contradiction is resolved by recognizing that although the electrostatic repulsion is progressively screened by increasing salt concentration, so is the van der Waals (vdW) attraction. Negligible in low salt, weakening of vdW forces becomes significant by the time electrostatic forces vanish. The result is a smooth monotonic swelling curve with no apparent distinction between low and high salt concentration regimes. Furthermore, when compared with theoretical predictions, measured vdW forces decay much too slowly with added salt. However, by accounting for the recently measured salt deficit near lipid bilayers, the expected scaling with Debye screening length is recovered. The combination of ion-specific binding and nonspecific ionic screening of lowfrequency fluctuations explains salt effects on lipid membrane interactions and, by extension, explains specific (Hofmeister) effects at macromolecular interfaces between low and high dielectric.electrostatics ͉ halides ͉ ion binding ͉ van der Waals ͉ hydration

show abstract

“…In particular, the specific interaction of cations near the bilayer headgroups has a strong effect on the structure, dynamics, and stability of the membranes. [1][2][3] For example, the concentration of intracellular Ca 2+ has recently been recognized to play key roles in some biological processes, such as membrane fusion, [4][5][6] DNA-zwitterionic lipid association, [7][8][9] and the regulation of cell death (necrosis, apoptosis, and autophagy). 10 In addition to the divalent cation, monovalent ions such as K + and Na + with its counter anion Cl are also present in biological membranes and affect the physical properties of membrane.…”

Section: Introductionmentioning

confidence: 99%

Molecular dynamics study of structure and vibrational spectra at zwitterionoic lipid/aqueous KCl, NaCl, and CaCl2 solution interfaces

Ishiyama

Shirai

Okumura

et al. 2018

The Journal of Chemical Physics

View full text Add to dashboard Cite

Molecular dynamics (MD) simulations of KCl, NaCl, and CaCl 2 solution/ dipalmytoylphosphatidylcholine lipid interfaces were performed to analyze heterodyne-detected vibrational sum frequency generation (HD-VSFG) spectra in relation to the interfacial water structure. The present MD simulation well reproduces the experimental spectra and elucidates a specific cation effect on the interfacial structure. The K + , Na + , and Ca 2+ cation species penetrate in the lipid layer more than the anions in this order, due to the electrostatic interaction with negative polar groups of lipid, and the electric double layer between the cations and anions cancels the intrinsic orientation of water at the water/lipid interface. These mechanisms explain the HD-VSFG spectrum of the water/lipid interface and its spectral perturbation by adding the ions. The lipid monolayer reverses the order of surface preference of the cations at the solution/lipid interface from that at the solution/air interface. Published by AIP Publishing. https://doi

show abstract

Hofmeister effects in membrane biology: The role of ionic dispersion potentials

Cited by 57 publications

References 43 publications

Computational Methods for Biomolecular Electrostatics

Computational Methods for Biomolecular Electrostatics

Salt screening and specific ion adsorption determine neutral-lipid membrane interactions

Molecular dynamics study of structure and vibrational spectra at zwitterionoic lipid/aqueous KCl, NaCl, and CaCl2 solution interfaces

Contact Info

Product

Resources

About