ArticleThe journal of physical chemistry. B2006
Mechanisms of passive ion permeation through lipid bilayers: insights from simulations.
Article in The journal of physical chemistry. B, 2006. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 31 papers.
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Who cites it
31 citing papers in PubMed, 84 citations in OpenAlex.
- Review
- Evidence for long-term potentiation in phospholipid membranes.Proceedings of the National Academy of Sciences of the United States of America · 2022Article
- Quantifying proton-induced membrane polarization in single biomimetic giant vesicles.Biophysical journal · 2022Article
- Quantum Mechanical Aspects in the Pathophysiology of Neuropathic Pain.Brain sciences · 2022Article
- Peptide Permeation across a Phosphocholine Membrane: An Atomically Detailed Mechanism Determined through Simulations and Supported by Experimentation.The journal of physical chemistry. B · 2022Article
- Article
- The Quantum Tunneling of Ions Model Can Explain the Pathophysiology of Tinnitus.Brain sciences · 2022Article
- Elucidating the Mechanism Behind Sodium-Coupled Neurotransmitter Transporters by Reconstitution.Neurochemical research · 2022Review
- The Effect of the Osmotically Active Compound Concentration Difference on the Passive Water and Proton Fluxes across a Lipid Bilayer.International journal of molecular sciences · 2021Article
- Defect-Assisted Permeation Through a Phospholipid Membrane: Experimental and Computational Study of the Peptide WKW.The journal of physical chemistry. B · 2019Article
- An update of the chemiosmotic theory as suggested by possible proton currents inside the coupling membrane.Open biology · 2019Review
- Partition of Positively and Negatively Charged Tryptophan Ions in Membranes with Inverted Phospholipid Heads: Simulations and Experiments.The journal of physical chemistry. B · 2019Article
- Ion Permeation through a Phospholipid Membrane: Transition State, Path Splitting, and Calculation of Permeability.Journal of chemical theory and computation · 2019Article
- Sequence-Dependent Interfacial Adsorption and Permeation of Dipeptides across Phospholipid Membranes.The journal of physical chemistry. B · 2017Article
- The Flip-Flop Diffusion Mechanism across Lipids in a Hybrid Bilayer Membrane.Biophysical journal · 2016Article
- Article
- Membrane-mediated amyloid formation of PrP 106-126: A kinetic study.Biochimica et biophysica acta · 2015Article
- Membrane permeation of a peptide: it is better to be positive.The journal of physical chemistry. B · 2015Article
- A Permeability Study of O2 and the Trace Amine p-Tyramine through Model Phosphatidylcholine Bilayers.PloS one · 2015Article
- Interaction of daptomycin with lipid bilayers: a lipid extracting effect.Biochemistry · 2014Article
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Authors and funding
2 authors at 1 institution in 2 countries.
Funding
Abstract
Multistate empirical valence bond and classical molecular dynamics simulations were used to explore mechanisms for passive ion leakage through a dimyristoyl phosphatidylcholine lipid bilayer. In accordance with a previous study on proton leakage (Biophys. J. 2005, 88, 3095), it was found that the permeation mechanism must be a highly concerted one, in which ion, solvent, and membrane coordinates are coupled. The presence of the ion itself significantly alters the response of those coordinates, suggesting that simulations of transmembrane water structures without explicit inclusion of the ionic solute are insufficient for elucidating transition mechanisms. The properties of H(+), Na(+), OH(-), and bare water molecules in the membrane interior were compared, both by biased sampling techniques and by constructing complete and unbiased transition paths. It was found that the anomalous difference in leakage rates between protons and other cations can be largely explained by charge delocalization effects rather than the usual kinetic picture (Grotthuss hopping of the proton). Permeability differences between anions and cations through phosphatidylcholine bilayers are correlated with suppression of favorable membrane breathing modes by cations.
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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.