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Terahertz Electric Field-Induced Membrane Electroporation by Molecular Dynamics Simulations

  • Jingchao Tang
  • Hairong Yin
  • Jialu Ma
  • Wenfei Bo
  • Yang Yang
  • Jin Xu
  • Yiyao Liu
  • Yubin Gong
Article
  • 76 Downloads

Abstract

In this paper, the membrane electroporation induced by the terahertz electric field is simulated by means of the molecular dynamics method. The influences of the waveform and frequency of the applied terahertz electric field on the electroporation and the unique features of the process of the electroporation with the applied terahertz electric field are given. It shows that whether the electroporation can happen depends on the waveform of the applied terahertz electric field when the magnitude is not large enough. No pore appears if the terahertz electric field direction periodically reverses, and dipole moments of the interfacial water and the bulk water keep reversing. The nm-scale single pore forms with the applied terahertz trapezoidal electric field. It is found that the average pore formation time is strongly influenced by the terahertz electric field frequency. An abnormal variation region that shows decline exists on the correlation curve of the average pore formation time and the trapezoidal electric field frequency, whereas the overall trend of the curve is increasing. The decrease of the water oriented polarization degree results in the increase of the electroporation time, and the abnormal variation region appearance may be related to the drastic change of average water hydrogen bond number that is resulted from the resonance of water hydrogen bond network and the applied electric field. Compared to the nanosecond electric pulse and constant electric field, the numbers of the water protrusions and the water bridges are smaller and the pore formation time is relatively longer with the applied terahertz electric field.

Keywords

Electroporation Frequency Molecular dynamics Picosecond Terahertz Waveform 

Notes

Compliance with Ethical Standards

Conflict of interest

All authors declare that they have no conflict of interest.

Ethical Approval

This article does not contain any studies with human participants or animals performed by any of the authors.

Informed Consent

Informed consent was obtained from all individual participants included in the study.

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Copyright information

© Springer Science+Business Media, LLC, part of Springer Nature 2018

Authors and Affiliations

  • Jingchao Tang
    • 1
    • 3
  • Hairong Yin
    • 1
    • 3
  • Jialu Ma
    • 1
    • 3
  • Wenfei Bo
    • 1
    • 3
  • Yang Yang
    • 1
    • 3
  • Jin Xu
    • 1
    • 3
  • Yiyao Liu
    • 2
  • Yubin Gong
    • 1
    • 3
  1. 1.School of Electronic Science and EngineeringUniversity of Electronic Science and Technology of ChinaChengduChina
  2. 2.School of Life Science and TechnologyUniversity of Electronic Science and Technology of ChinaChengduChina
  3. 3.Center for Information in MedicineUniversity of Electronic Science and Technology of ChinaChengduChina

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