Journal
PHYSICAL REVIEW LETTERS
Volume 105, Issue 1, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.105.018105
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Funding
- JSPS [20300173, 21650124]
- MEXT [20760114, 20015005]
- MHLW [H19-nano-010]
- Grants-in-Aid for Scientific Research [20300173, 21650124, 20760114, 20015005] Funding Source: KAKEN
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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.
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