ArticleBiophysical journal2008
Molecular dynamics simulations of asymmetric NaCl and KCl solutions separated by phosphatidylcholine bilayers: potential drops and structural changes induced by strong Na+-lipid interactions and finite size effects.
Article in Biophysical journal, 2008. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 46 papers.
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Who cites it
46 citing papers in PubMed, 116 citations in OpenAlex.
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- Efficient Simulations of Solvent Asymmetry Across Lipid Membranes Using Flat-Bottom Restraints.Journal of chemical theory and computation · 2023Article
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- Transmembrane potential of physiologically relevant model membranes: Effects of membrane asymmetry.The Journal of chemical physics · 2020Article
- Discrete Helmholtz model: a single layer of correlated counter-ions. Metal oxides and silica interfaces, ion-exchange and biological membranes.Chemical science · 2020Review
- Possible environmental effects on the spread of COVID-19 in China.The Science of the total environment · 2020Article
- Ionic transport through a protein nanopore: a Coarse-Grained Molecular Dynamics Study.Scientific reports · 2019Article
- Competing for the same space: protons and alkali ions at the interface of phospholipid bilayers.Biophysical reviews · 2019Review
- Neurodegenerative Disease-Associated Variants in TREM2 Destabilize the Apical Ligand-Binding Region of the Immunoglobulin Domain.Frontiers in neurology · 2019Article
- Membrane potential and dynamics in a ternary lipid mixture: insights from molecular dynamics simulations.Physical chemistry chemical physics : PCCP · 2018Article
- Phosphorylation of KLHL3 at serine 433 impairs its interaction with the acidic motif of WNK4: a molecular dynamics study.Protein science : a publication of the Protein Society · 2017Article
- Introducing Membrane Charge and Membrane Potential to T Cell Signaling.Frontiers in immunology · 2017Review
- Structural Insight for Roles of DR5 Death Domain Mutations on Oligomerization of DR5 Death Domain-FADD Complex in the Death-Inducing Signaling Complex Formation: A Computational Study.Journal of molecular modeling · 2016Article
- Molecular Modeling of the Structural and Dynamical Changes in Calcium Channel TRPV5 Induced by the African-Specific A563T Variation.Biochemistry · 2016Article
- Biological Membranes in Extreme Conditions: Simulations of Anionic Archaeal Tetraether Lipid Membranes.PloS one · 2016Article
- Poisson-Boltzmann versus Size-Modified Poisson-Boltzmann Electrostatics Applied to Lipid Bilayers.The journal of physical chemistry. B · 2014Article
- Anomalous surface diffusion of protons on lipid membranes.Biophysical journal · 2014Article
Corrections and comments
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Authors and funding
3 authors at 2 institutions in 1 country.
Funding
Abstract
Differences of ionic concentrations across lipid bilayers are some of the primary energetic driving forces for cellular electrophysiology. While macroscopic models of asymmetric ionic solutions are well-developed, their connection to ion, water, and lipid interactions at the atomic scale are much more poorly understood. In this study, we used molecular dynamics to examine a system of two chambers of equal ionic strength, but differing amounts of NaCl and KCl, separated by a lipid bilayer. Our expectation was that the net electrostatic potential difference between the two chambers should be small or zero. Contrary to our expectation, a large potential difference (-70 mV) slowly evolved across the two water chambers over the course of our 172-ns simulation. This potential primarily originated from strong Na(+) binding to the carbonyls of the phosphatidylcholine lipids. This ion adsorption also led to significant structural and mechanical changes in the lipid bilayer. We discuss this surprising result in the context of indirect experimental evidence for Na(+) interaction with bilayers as well as potential caveats in current biomembrane simulation methodology, including force-field parameters and finite size effects.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.