Effects of deformability and thermal motion of lipid membrane on electroporation: By molecular dynamics simulations

Journal Article · Fri Jan 14 04:00:00 EST 2011 · Biochemical and Biophysical Research Communications

DOI:https://doi.org/10.1016/J.BBRC.2010.12.042· OSTI ID:22204756

Sun, Sheng; Yin, Guangyao ^[1]; Lee, Yi-Kuen ^[2]; Wong, Joseph T.Y. ^[3]; Zhang, Tong-Yi ^[2]

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1. Bioengineering Graduate Program, Hong Kong University of Science and Technology, Hong Kong Special Administrative Region (China)
2. Department of Mechanical Engineering, Hong Kong University of Science and Technology, Hong Kong Special Administrative Region (China)
3. Division of Life Science, Hong Kong University of Science and Technology, Hong Kong Special Administrative Region (China)

Research highlights: {yields} MD simulations show that deformability and thermal motion of membrane affect electroporation. {yields} Stiffer membrane inhibits electroporation and makes water penetrate from both sides. {yields} Higher temperature accelerates electroporation. -- Abstract: Effects of mechanical properties and thermal motion of POPE lipid membrane on electroporation were studied by molecular dynamics simulations. Among simulations in which specific atoms of lipids were artificially constrained at their equilibrium positions using a spring with force constant of 2.0 kcal/(mol A{sup 2}) in the external electric field of 1.4 kcal/(mol A e), only constraint on lateral motions of lipid tails prohibited electroporation while non-tail parts had little effects. When force constant decreased to 0.2 kcal/(mol A{sup 2}) in the position constraints on lipid tails in the external electric field of 2.0 kcal/(mol A e), water molecules began to enter the membrane. Position constraints of lipid tails allow water to penetrate from both sides of membrane. Thermal motion of lipids can induce initial defects in the hydrophobic core of membrane, which are favorable nucleation sites for electroporation. Simulations at different temperatures revealed that as the temperature increases, the time taken to the initial pore formation will decrease.

• OSTI ID: 22204756
• Journal Information: Biochemical and Biophysical Research Communications, Journal Name: Biochemical and Biophysical Research Communications Journal Issue: 2 Vol. 404; ISSN BBRCA9; ISSN 0006-291X
• Country of Publication: United States
• Language: English

Related Subjects

60 APPLIED LIFE SCIENCES
ELECTRIC FIELDS
LIMITING VALUES
LIPIDS
MECHANICAL PROPERTIES
MOLECULAR DYNAMICS METHOD
MOLECULES
NUCLEATION
SIMULATION