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Investigation of the Performance and Mechanism of Permeation through Biological Membranes

Alizadeh, Ali | 2013

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  1. Type of Document: Ph.D. Dissertation
  2. Language: Farsi
  3. Document No: 45111 (03)
  4. University: Sharif University
  5. Department: Chemistry
  6. Advisor(s): Parsafar, Gholamabbas
  7. Abstract:
  8. Ion channels are present in all cell membranes which are the important part of the performances in regulating the flow across the membrane as well as the signaling. We have investigated the water permeation through carbon nanotube (CNT) membranes as a model for the synthetic ion channels, i.e. peptide nanotube channels (PNCs). The effect of different charge configured CNTs which tailored based on these ion channels on the water permeation has been studied. In addition, the temperature dependence of the permeation using statistical models such as continuous time random walk model (CTRW) via molecular dynamics simulation has been investigated. We have found that there is a jump in the permeation which is somehow related to the characteristics of each channel and the temperature of this permeation jump changes according to the channel configuration. Our investigation on the channels shows that the temperature at which the permeation jump occurs is related to the height of energy barrier, in such a way that the jump for the larger barrier happens at a high temperature. In addition, the 2D phase transition diagram for each channel has been obtained using asymmetric execution process. So, in this regard, we could find the fundamental aspects for the classifications of any channels using some order parameters such as permeation jump, energy barrier of the channel and hopping rate of water molecules through the channels
  9. Keywords:
  10. Carbon Nanotubes ; Molecular Dynamic Simulation ; Percolation ; Biological Membrane ; Ion Channel

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