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

Abstract

It has been widely accepted that the thermally excited motions of the molecules in a cell membrane is the prerequisite for a 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 the 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. Moreover, we unveil the role of water confined at the water-lipid interface in triggering collective vibrations in a lipid bilayer.

Authors:
; ; ;
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1572744
Alternate Identifier(s):
OSTI ID: 1482560
Report Number(s):
BNL-209459-2018-JAAM
Journal ID: ISSN 0005-2736; S0005273618301998; PII: S0005273618301998
Grant/Contract Number:  
SC0012704
Resource Type:
Published Article
Journal Name:
Biochimica et Biophysica Acta. Biomembranes
Additional Journal Information:
Journal Name: Biochimica et Biophysica Acta. Biomembranes Journal Volume: 1860 Journal Issue: 11; Journal ID: ISSN 0005-2736
Publisher:
Elsevier
Country of Publication:
Netherlands
Language:
English
Subject:
36 MATERIALS SCIENCE; Lateral lipid diffusion; Lipid bilayers; Picosecond lipid dynamics; Lipid phases; Acoustic and optical phonons

Citation Formats

Bolmatov, Dima, Cai, Yong Q., Zav’yalov, Dmitry, and Zhernenkov, Mikhail. Crossover from picosecond collective to single particle dynamics defines the mechanism of lateral lipid diffusion. Netherlands: N. p., 2018. Web. doi:10.1016/j.bbamem.2018.07.004.
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Bolmatov, Dima, Cai, Yong Q., Zav’yalov, Dmitry, & Zhernenkov, Mikhail. Crossover from picosecond collective to single particle dynamics defines the mechanism of lateral lipid diffusion. Netherlands. https://doi.org/10.1016/j.bbamem.2018.07.004
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Bolmatov, Dima, Cai, Yong Q., Zav’yalov, Dmitry, and Zhernenkov, Mikhail. Thu . "Crossover from picosecond collective to single particle dynamics defines the mechanism of lateral lipid diffusion". Netherlands. https://doi.org/10.1016/j.bbamem.2018.07.004.
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@article{osti_1572744,
title = {Crossover from picosecond collective to single particle dynamics defines the mechanism of lateral lipid diffusion},
author = {Bolmatov, Dima and Cai, Yong Q. and Zav’yalov, Dmitry and Zhernenkov, Mikhail},
abstractNote = {It has been widely accepted that the thermally excited motions of the molecules in a cell membrane is the prerequisite for a 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 the 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. Moreover, we unveil the role of water confined at the water-lipid interface in triggering collective vibrations in a lipid bilayer.},
doi = {10.1016/j.bbamem.2018.07.004},
journal = {Biochimica et Biophysica Acta. Biomembranes},
number = 11,
volume = 1860,
place = {Netherlands},
year = {Thu Nov 01 00:00:00 EDT 2018},
month = {Thu Nov 01 00:00:00 EDT 2018}
}
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Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1016/j.bbamem.2018.07.004
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Cited by: 16 works
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Figures / Tables:

Fig. 1 Fig. 1: Temperature evolution of longitudinal acoustic (LA) and optical (LO) vibrational modes. The wavenumber transfer vector Q lies parallel to the membrane surface, or perpendicular to the lipid tails. As temperature increases, both vibrational modes are softened, which results in a decrease of the energy at which they getmore » excited. Every mode is dubbed “Longitudinal” (either acoustic or optical) as they are obtained from the fit of the longitudinal current correlation spectra, CL(Q,E).« less
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