Course-grained molecular dynamics investigation on the effects of uniform electric field on DPPC lipid bilayer: With and without vacuum space

John Isaac Enriquez, Al Rey Villagracia, Joaquin Lorenzo Moreno, Nelson Arboleda, Melanie David, Aristotle Ubando, Hui Lin Ong, Alvin Culaba, Joel L Cuello

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

2 Scopus citations

Abstract

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.

Original languageEnglish (US)
Title of host publicationHNICEM 2017 - 9th International Conference on Humanoid, Nanotechnology, Information Technology, Communication and Control, Environment and Management
PublisherInstitute of Electrical and Electronics Engineers Inc.
Pages1-6
Number of pages6
Volume2018-January
ISBN (Electronic)9781538609101
DOIs
Publication statusPublished - Jan 24 2018
Event9th IEEE International Conference on Humanoid, Nanotechnology, Information Technology, Communication and Control, Environment and Management, HNICEM 2017 - Manila, Philippines
Duration: Nov 29 2017Dec 1 2017

Other

Other9th IEEE International Conference on Humanoid, Nanotechnology, Information Technology, Communication and Control, Environment and Management, HNICEM 2017
CountryPhilippines
CityManila
Period11/29/1712/1/17

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Keywords

  • DPPC
  • electric field
  • Molecular Dynamics

ASJC Scopus subject areas

  • Computer Networks and Communications
  • Computer Science Applications
  • Human-Computer Interaction
  • Information Systems
  • Control and Optimization
  • Artificial Intelligence
  • Ecological Modeling
  • Management, Monitoring, Policy and Law

Cite this

Enriquez, J. I., Villagracia, A. R., Moreno, J. L., Arboleda, N., David, M., Ubando, A., ... Cuello, J. L. (2018). Course-grained molecular dynamics investigation on the effects of uniform electric field on DPPC lipid bilayer: With and without vacuum space. In HNICEM 2017 - 9th International Conference on Humanoid, Nanotechnology, Information Technology, Communication and Control, Environment and Management (Vol. 2018-January, pp. 1-6). Institute of Electrical and Electronics Engineers Inc.. https://doi.org/10.1109/HNICEM.2017.8269445