TY - JOUR
T1 - Phase diagrams of confined solutions of dimyristoylphosphatidylcholine (DMPC) lipid and cholesterol in nanotubes
AU - Arai, Noriyoshi
AU - Yasuoka, Kenji
AU - Zeng, Xiao Cheng
N1 - Funding Information:
Acknowledgments N.A. and K.Y. were supported by the Core Research for Evolution Science and Technology (CREST) of the Japan Science and Technology Corporation (JST). XCZ was supported by grants from the NSF (CBET-1036171 and CBET-1066947) and ARL (W911NF1020099).
PY - 2013/6
Y1 - 2013/6
N2 - We have studied equilibrium morphologies of dimyristoylphosphatidylcholine lipid solution and cholesterol solution confined to nanotubes using dissipative particle dynamics (DPD) simulations. Phase diagrams regarding monomer concentration c versus radius of nanotube r for both solutions are attained. Three types of the inner surface of nanotubes, namely hydrophobic, hydrophilic, and hydroneutral are considered in the DPD simulations. A number of phases and molecular assemblies for the confined solutions are revealed, among others, such as the spiral wetting and bilayer helix. Several phases and assemblies have not been reported in the literature, and some are non-existence in bulk solutions. The ability to control the morphologies and self-assemblies within nanoscale confinement can be exploited for patterning interior surface of nanochannels for application in nanofluidics and nanomedical devices.
AB - We have studied equilibrium morphologies of dimyristoylphosphatidylcholine lipid solution and cholesterol solution confined to nanotubes using dissipative particle dynamics (DPD) simulations. Phase diagrams regarding monomer concentration c versus radius of nanotube r for both solutions are attained. Three types of the inner surface of nanotubes, namely hydrophobic, hydrophilic, and hydroneutral are considered in the DPD simulations. A number of phases and molecular assemblies for the confined solutions are revealed, among others, such as the spiral wetting and bilayer helix. Several phases and assemblies have not been reported in the literature, and some are non-existence in bulk solutions. The ability to control the morphologies and self-assemblies within nanoscale confinement can be exploited for patterning interior surface of nanochannels for application in nanofluidics and nanomedical devices.
KW - Dissipative particle dynamics
KW - Equilibrium morphology
KW - Nanoscale confinement
KW - Phase diagram
KW - Self-assembly
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U2 - 10.1007/s10404-012-1107-3
DO - 10.1007/s10404-012-1107-3
M3 - Article
AN - SCOPUS:84879689994
SN - 1613-4982
VL - 14
SP - 995
EP - 1010
JO - Microfluidics and Nanofluidics
JF - Microfluidics and Nanofluidics
IS - 6
ER -