Modeling the Impact of Silicon-Carbide Nanotube on the Phospholipid Bilayer Membrane: Study of Nanoindentation and Removal Processes via Molecular Dynamics Simulation

The molecular dynamics simulation technique was extensively used to explore systematically the nanoindentation of a phospholipid bilayer by a silicon-carbide nanotube. Three different indentation speeds were examined. In addition, the process of removal of the silicon-carbide nanotube from the membrane was investigated. Throughout the simulation, the mean force, work, and deflection of the bilayer were estimated and analyzed for both processes. It is found that the silicon-carbide nanotube does not destroy the phospholipid bilayer, and the self-sealing process is quite effective when the removal process is completed. Our study suggests that the silicon-carbide nanotube might be considered as a potential tool to deliver specific molecular cargo to the cells and to work as an artificial trans-membrane channel between the interior of the cell and the external environment.