TY - GEN
T1 - Course-grained molecular dynamics investigation on the effects of uniform electric field on DPPC lipid bilayer
T2 - 9th IEEE International Conference on Humanoid, Nanotechnology, Information Technology, Communication and Control, Environment and Management, HNICEM 2017
AU - Enriquez, John Isaac
AU - Villagracia, Al Rey
AU - Moreno, Joaquin Lorenzo
AU - Arboleda, Nelson
AU - David, Melanie
AU - Ubando, Aristotle
AU - Ong, Hui Lin
AU - Culaba, Alvin
AU - Cuello, Joel
N1 - Funding Information: This study is supported by the United States Agency for International Development (USAID) under the Science, Technology, Research, and Innovation for Development (STRIDE) program, and University Research Coordination Office (URCO) of De La Salle University. Publisher Copyright: © 2017 IEEE.
PY - 2017/7/2
Y1 - 2017/7/2
N2 - One of the potential ways to decrease the cost of extraction of microalgae products is through the use of high-voltage electrical pulses to electroporate cell membranes. At present, its applicability on industrial scale has yet to be demonstrated. Molecular-level understanding of the electroporation on lipid membranes is needed to optimize the treatment parameters. In this study, the effects of uniform electric field on the area per lipid, bilayer thickness, lateral diffusion and pore formation time of dipalmitoylphosphatidylcholine (DPPC) lipid bilayer with and without vacuum space were studied using molecular dynamics. Exposing the lipid membrane to uniform electric field with a magnitude of 0.272 V/nm would cause pore formation in less than 4 nanoseconds. Increasing the magnitude of electric field will decrease the pore formation time. Electric field magnitudes below this threshold have considerable effect to the structure of the lipid, and minimal effect on its lateral diffusion. Our simulations of isolated fully-hydrated lipid bilayer slabs suggest that the mechanism of electroporation is primarily caused by the water permeation on lipid membrane. Moreover, the rotation of lipids reported by previous studies is not only caused by its reaction to electric field, but also by its hydrophilic and hydrophobic properties.
AB - One of the potential ways to decrease the cost of extraction of microalgae products is through the use of high-voltage electrical pulses to electroporate cell membranes. At present, its applicability on industrial scale has yet to be demonstrated. Molecular-level understanding of the electroporation on lipid membranes is needed to optimize the treatment parameters. In this study, the effects of uniform electric field on the area per lipid, bilayer thickness, lateral diffusion and pore formation time of dipalmitoylphosphatidylcholine (DPPC) lipid bilayer with and without vacuum space were studied using molecular dynamics. Exposing the lipid membrane to uniform electric field with a magnitude of 0.272 V/nm would cause pore formation in less than 4 nanoseconds. Increasing the magnitude of electric field will decrease the pore formation time. Electric field magnitudes below this threshold have considerable effect to the structure of the lipid, and minimal effect on its lateral diffusion. Our simulations of isolated fully-hydrated lipid bilayer slabs suggest that the mechanism of electroporation is primarily caused by the water permeation on lipid membrane. Moreover, the rotation of lipids reported by previous studies is not only caused by its reaction to electric field, but also by its hydrophilic and hydrophobic properties.
KW - DPPC
KW - Molecular Dynamics
KW - electric field
UR - http://www.scopus.com/inward/record.url?scp=85047757223&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85047757223&partnerID=8YFLogxK
U2 - 10.1109/HNICEM.2017.8269445
DO - 10.1109/HNICEM.2017.8269445
M3 - Conference contribution
T3 - HNICEM 2017 - 9th International Conference on Humanoid, Nanotechnology, Information Technology, Communication and Control, Environment and Management
SP - 1
EP - 6
BT - HNICEM 2017 - 9th International Conference on Humanoid, Nanotechnology, Information Technology, Communication and Control, Environment and Management
PB - Institute of Electrical and Electronics Engineers Inc.
Y2 - 29 November 2017 through 1 December 2017
ER -