Crossover from picosecond collective to single particle dynamics defines the mechanism of lateral lipid diffusion

Publication date: Available online 20 July 2018Source: Biochimica et Biophysica Acta (BBA) - BiomembranesAuthor(s): Dima Bolmatov, Yong Q. Cai, Dmitry Zav’yalov, Mikhail ZhernenkovAbstractIt has been widely accepted that the thermally excited motions of the molecules in a cell membrane is the prerequisite for the cell to carry its biological functions. On the other hand, the detailed mapping of the ultrafast picosecond single-molecule and the collective lipid dynamics in a cell membrane remains rather elusive. Here, we report all-atom molecular dynamics simulations of a 1,2-dipalmitoyl-sn-glycero-3-phosphocholine bilayer over a wide range of temperature. We elucidate a molecular mechanism underlying the lateral lipid diffusion in a cell membrane across gel, rippled and liquid phases using an analysis of the longitudinal and transverse current correlation spectra, the velocity auto-correlation functions, and the molecules mean square displacements. The molecular mechanism is based on the anomalous ultrafast vibrational properties of lipid molecules at the viscous-to-elastic crossover. The macroscopic lipid diffusion coefficients predicted by the proposed diffusion model are in a good agreement with experimentally observed values. Furthermore, we unveil the role of water confined at the water-lipid interface in triggering collective vibrations in a lipid bilayer.

Source: Biochimica et Biophysica Acta (BBA) Biomembranes - July 20, 2018 Category: Biochemistry Source Type: research