Carbon nanotube self-assembly with lipids and detergent: a molecular dynamics study.
The dispersion of carbon nanotubes (CNTs) in aqueous media is of potential importance in a number of biomedical applications. CNT solubilization has been achieved via the non-covalent adsorption of lipids and detergent onto the tube surface. We use coarse-grained molecular dynamics to study the self-assembly of CNTs with various amphiphiles, namely a bilayer-forming lipid, dipalmitoylphosphatidylcholine (DPPC), and two species of detergent, dihexanoylphosphatidylcholine (DHPC) and lysophosphatidylcholine (LPC). We find that for a low amphiphile/CNT ratio, DPPC, DHPC and LPC all wrap around the CNT. Upon increasing the number of amphiphiles, a transition in adsorption is observed: DPPC encapsulates the CNT within a cylindrical micelle, whilst both DHPC and LPC adsorb onto CNTs in hemimicelles. This study highlights differences in adsorption mechanism of bilayer-forming lipids and detergents on CNTs which may in the future be exploitable to enable enhancement of CNT solubilization whilst minimizing perturbation of cell membrane integrity.
Wallace
E Jayne
EJ
Department of Biochemistry, University of Oxford, Oxford, UK. jayne.wallace@bioch.ox.ac.
Sansom
Mark S P
MS
D015060:1,2-Dipalmitoylphosphatidylcholine / Q000737:chemistry*; D000327:Adsorption; D003198:Computer Simulation; D003902:Detergents / Q000737:chemistry*; D008244:Lysophosphatidylcholines / Q000737:chemistry; D008956:Models, Chemical; D037742:Nanotubes, Carbon / Q000737:chemistry*; D010713:Phosphatidylcholines / Q000737:chemistry
D003902:Detergents; D008244:Lysophosphatidylcholines; D037742:Nanotubes, Carbon; D010713:Phosphatidylcholines; D015060:1,2-Dipalmitoylphosphatidylcholine; C032166:1,2-hexanoylphosphatidylcholine