Self-organization of a stable pore structure in a phospholipid bilayer.
We demonstrate the self-organization process of a stable pore structure in a phospholipid bilayer by unsteady and nonequilibrium molecular dynamics simulations. The simulation is started from an initial state including some amount of water molecules in its hydrophobic region, which is a model of a cell membrane stimulated by ultrasound radiation for the membrane permeabilization (sonoporation). We show that, in several nanoseconds, the bilayer-water system can spontaneously develop into a water-filled pore structure without any mechanical and electrical forcing from outside, when the initial number of water molecules in the hydrophobic region exceeds a critical value. The increase in the initial number of water molecules enhances the probability of pore formation, and sometimes induces the formation of transient micellelike structures of phospholipid molecules.
Koshiyama
Kenichiro
K
Graduate School of Engineering Science, Osaka University, Toyonaka 560-8531, Japan.
Yano
Takeru
T
Kodama
Tetsuya
T
D057927:Hydrophobic and Hydrophilic Interactions; D008051:Lipid Bilayers / Q000737:chemistry*; D008968:Molecular Conformation; D056004:Molecular Dynamics Simulation; D010743:Phospholipids / Q000737:chemistry*; D016062:Porosity; D013997:Time Factors; D014867:Water / Q000737:chemistry
D008051:Lipid Bilayers; D010743:Phospholipids; D014867:Water