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.
Department of Biochemistry, University of Oxford, Oxford, UK. jayne.wallace@bioch.ox.ac.
E Jayne
EJ
Wallace
Mark S P
MS
Sansom
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