English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Tools annual

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools monthly

Global: Zendy Plus monthly

Presents the access of premium content as premium feature

Premium Content

Global: Zendy Plus annual

Global: Zendy Free Plan

The excimer formation dynamics of pyrene-labeled molecules in lipid bilayersdepends on molecular motion over distances of the order of 1-2 nm. From theconcentration dependence of the excimer photoemission curve, it is possible toderive a value for the lipid self-diffusion coefficient. This technique hasbeen intensively used in the past twenty years, leading to rather largenumerical values for self-diffusion compared with other approaches based onfluorescent probes tracking. In most cases, the interpretation of theexperimental data rely on models for diffusion limited 2d reaction rates, orcomparison with 2d lattice random walks. Our approach uses realistic moleculardynamics trajectories to reinterpret these experiments. Based on a wellestablished coarse-grained model for lipid MD simulations (Martini), we showhow to relate simulation results to experimental data on excimer formation. Ourprocedure is quite general and is applicable to all diffusion-limited kineticprocesses. Key to our approach is the determination of the acceleration factorof lipid coarse-grained numerical models compared to reality. We find asignificant reduction of the diffusion coefficient values, in particular wheninterleaflet association is taken into account. Our work does not point todeviation from a diffusion-limited mechanism but indicates that the excimerformation across bilayer leaflets could be hindered.

Excimer formation of pyrene labeled lipids interpreted by means of coarse-grained molecular dynamics simulations