Molecular dynamics simulation of water pore formation in lipid bilayer induced by shock waves

Ken Ichiro Koshiyama, Tetsuya Kodama, Takeru Yano, Shigeo Fujikawa

Research output: Chapter in Book/Report/Conference proceedingConference contribution

3 Citations (Scopus)

Abstract

Water molecule penetration into a bilayer hydrophobic region with a shock wave impulse has been investigated using molecular dynamics simulations [Koshiyama et al., AIP Conference Proceedings, 754, 104-106, (2005)]. Here we report results of simulation of spontaneous water pore formation in a bilayer that contains water molecules in the hydrophobic region in an initial state. The bilayers of 128 DPPC lipid and 3655 water molecules with insertion of 392, 784, and 1176 water molecules in the hydrophobic region are simulated. A water pore is spontaneously formed when 1176 water molecules exist in the hydrophobic region. The water pore diameter is estimated to be c.a. 1.9 nm, which is three times larger than that of 5-fluorouracil (5FU) used in cancer treatment.

Original languageEnglish
Title of host publicationTHERAPEUTIC ULTRASOUND
Subtitle of host publication5th International Symposium on Therapeutic Ultrasound
Pages583-587
Number of pages5
DOIs
Publication statusPublished - 2006 May 8
EventTHERAPEUTIC ULTRASOUND: 5th International Symposium on Therapeutic Ultrasound - Boston, MA, United States
Duration: 2005 Oct 272005 Oct 29

Publication series

NameAIP Conference Proceedings
Volume829
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Other

OtherTHERAPEUTIC ULTRASOUND: 5th International Symposium on Therapeutic Ultrasound
CountryUnited States
CityBoston, MA
Period05/10/2705/10/29

Keywords

  • Gene therapy
  • Phospholipid bilayer
  • Shock wave

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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