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Molecular dynamics simulation of short-wavelength collective dynamics of phospholipid membranes

Valeria Conti Nibali¹, Giovanna D'Angelo^1,*, and Mounir Tarek^2,†

¹Dipartimento di Fisica, Università degli Studi di Messina, Messina, Italy
²UMR Structure et Réactivité des Systèmes Moléculaires Complexes, Nancy University, CNRS, Nancy, France

^*gdangelo@unime.it
^†mtarek@uhp-nancy.fr

Phys. Rev. E 89, 050301(R) – Published 12 May, 2014

DOI: https://doi.org/10.1103/PhysRevE.89.050301

Abstract

We investigated the short-wavelength longitudinal and transverse collective dynamics of the fluid and gel phases of phospholipid bilayers by means of molecular dynamics simulation. Similarly to a crystal, the spectrum of collective excitations in a bilayer consists of longitudinal and transverse acoustic modes, though modified by disorder. Beside acoustic modes, a series of broad dispersionless excitations are revealed. The dispersion curves of the observed excitations may be represented in a pseudo-Brillouin zone scheme centered around the spatial correlation peak of the acyl chains. The study provides evidence for a resonant interaction between the lowest frequency optical phonon and the longitudinal acoustic mode.

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Molecular dynamics simulation of short-wavelength collective dynamics of phospholipid membranes

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