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 Plus annual

Presents the access of premium content as premium feature

Premium Content

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 annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

We use a long, all-atom molecular dynamics (MD) simulation combined withtheoretical modeling to investigate the dynamics of selected lipid atoms andlipid molecules in a hydrated diyristoyl-phosphatidylcholine (DMPC) lipidbilayer. From the analysis of a 0.1 $\mu$s MD trajectory we find that the timeevolution of the mean square displacement, [\delta{r}(t)]^2, of lipid atoms andmolecules exhibits three well separated dynamical regions: (i) ballistic, with[\delta{r}(t)]^2 ~ t^2 for t < 10 fs; (ii) subdiffusive, with [\delta{r}(t)]^2~ t^{\beta} with \beta<1, for 10 ps < t < 10 ns; and (iii) Fickian diffusion,with [\delta{r}(t)]^2 ~ t for t > 30 ns. We propose a memory function approachfor calculating [\delta{r}(t)]^2 over the entire time range extending from theballistic to the Fickian diffusion regimes. The results are in very goodagreement with the ones from the MD simulations. We also examine theimplications of the presence of the subdiffusive dynamics of lipids on theself-intermediate scattering function and the incoherent dynamics structurefactor measured in neutron scattering experiments.

Subdiffusion and lateral diffusion coefficient of lipid atoms and molecules in phospholipid bilayers