Molecular Structure and Permeability at the Interface between Phase-Separated Membrane Domains

The Journal of Physical Chemistry. B
Rodrigo M Cordeiro

Abstract

Phase-separated membrane domains, also known as lipid rafts, are believed to play an important role in cell function. Although most rafts are sterol-enriched membrane regions, evidence suggests that living cells may also contain gel-like rafts. Interactions between gel and fluid domains have a large impact on membrane properties, as is the case with permeability. The membrane permeability may reach a peak at the main phase transition temperature, by far exceeding the values recorded at the fluid phase. It has been proposed that gel-fluid interfaces are leaky, but the effect has not yet been demonstrated at the molecular level. Here, we performed atomistic molecular dynamics simulations of phospholipid bilayers with coexisting gel-like and fluid domains. We found that the thickness mismatch between both phases, the membrane elasticity, and the lipid packing acted together to promote the formation of a thickness minimum at the gel-fluid interface. Free energy calculations showed that pore-mediated ionic permeation was strongly facilitated at the constriction region, whereas water permeation by simple diffusion was only marginally affected. Long-lived, peristaltic undulations were recorded at the bulk fluid phase near the main tra...Continue Reading

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Citations

Oct 8, 2019·Soft Matter·David Stelter, Tom Keyes
Dec 11, 2019·Nature Communications·An GhyselsRichard W Pastor
Jul 1, 2020·Frontiers in Cell and Developmental Biology·Alena KhmelinskaiaRodrigo F M de Almeida
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Jan 19, 2020·Biochimica Et Biophysica Acta. Biomembranes·Mitchell DiPasqualeDrew Marquardt
Jun 4, 2021·Journal of Chemical Information and Modeling·Maria C OliveiraRodrigo M Cordeiro
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Feb 13, 2019·Chemical Reviews·Richard M VenableRichard W Pastor
Aug 17, 2019·Biomacromolecules·Christopher StubbsMatthew I Gibson

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