Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Molecular Dynamics Simulations of Axonal Membrane in Traumatic Brain Injury
KTH, School of Technology and Health (STH).
2017 (English)Independent thesis Advanced level (degree of Master (Two Years)), 20 credits / 30 HE creditsStudent thesisAlternative title
Molekylärdynamisk simulering av axonmembranet för traumatisk hjärnskadeanalys (Swedish)
Abstract [en]

The following project presents in silico investigation of axonal damage in Diffuse Axonal Injury (DAI). When axons face a shear force, orientation of the lipids in the axonal membrane gets disrupted. Depending on the value of the force, a tensile strain causes the axons to get partially or fully deformed and in some cases a pore forms in the membrane. Using Molecular Dynamic (MD) simulation and a coarse grain model, a series of bilayers with various bilayer structure (single bilayer, parallel bilayer and cylindrical bilayer) and similar composition to biological axonal membrane were simulated. This was initially done to investigate the strain rate dependency of the bilayers, and their viscoelastic ability on returning to their original shape from their deformed forms. To achieve this, various deformation velocities were applied to the bilayers reaching 20% strain and relaxing the bilayer after. Additionally, the bilayers were deformed further until they reached a pore. It was found that the bilayers can almost recover from their deformed forms to their original length when they were deformed at 20% strain level. In conjunction, no correlation between the deformation velocity and lipid deformation was observed. Further, it was found that bilayers with different lipid percentage to axonal bilayer has different strain values for water penetration and for pore formation. The strain value for cylindrical bilayer was found very high compared to the strain values found in vitro. The strain for pore formation of parallel and single bilayer was found to be around 80% to 90% and for water penetration was found to be 70% for single bilayer and 50% for parallel bilayer. A slight difference in strain for pore formation between single and parallel bilayer was found which showed the bilayer structure can play a role in simulation results. The effect of the length in the simulations results was also observed where shorter bilayers showed lower strain for pore formation compared to longer bilayers. 

Place, publisher, year, edition, pages
2017. , 52 p.
Series
TRITA-STH, 2017:83
Keyword [en]
Traumatic brain injury, diffuse axonal injury, molecular simulation, axonal bilayer, strain, shear force, nano-scale deformation, lipid bilayer
National Category
Medical and Health Sciences
Identifiers
URN: urn:nbn:se:kth:diva-211109OAI: oai:DiVA.org:kth-211109DiVA: diva2:1127564
Subject / course
Medical Engineering
Educational program
Master of Science - Medical Engineering
Supervisors
Examiners
Available from: 2017-08-06 Created: 2017-07-17 Last updated: 2017-08-06Bibliographically approved

Open Access in DiVA

MD simulation of axonal membrane in TBI-Zohreh Alaei(5002 kB)58 downloads
File information
File name FULLTEXT01.pdfFile size 5002 kBChecksum SHA-512
1548eb4d16e6fdda12fb86fca7281c64cb4dce1d022eec7b5ccdc30f78a2a8127c1a2d6c721d9d6741edb483525c70b3222e607c32e93a9c82ce9dcbd9d62fb1
Type fulltextMimetype application/pdf

By organisation
School of Technology and Health (STH)
Medical and Health Sciences

Search outside of DiVA

GoogleGoogle Scholar
Total: 58 downloads
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

urn-nbn

Altmetric score

urn-nbn
Total: 140 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf