Rui Xu, Zi-lu Wang, Hua-ping Li, Xue-hao He. Dynamics of Micelle Formation from Mixed Lipid Droplets[J]. Chinese Journal of Chemical Physics , 2013, 26(2): 203-210. doi: 10.1063/1674-0068/26/02/203-210
Citation: Rui Xu, Zi-lu Wang, Hua-ping Li, Xue-hao He. Dynamics of Micelle Formation from Mixed Lipid Droplets[J]. Chinese Journal of Chemical Physics , 2013, 26(2): 203-210. doi: 10.1063/1674-0068/26/02/203-210

Dynamics of Micelle Formation from Mixed Lipid Droplets

doi: 10.1063/1674-0068/26/02/203-210
Funds:  This work was supported by the National Natu-ral Science Foundation of China (No.20974078 and No.91127046). Computation was carried out in High Performance Computing Center of Tianjin University.
  • Received Date: 2012-10-23
  • Amphiphilic lipid molecules can form various micelles depending on not only their molecular composition but also their self-assembly pathway. In this work, coarse-grained molecular dynamics simulations have been applied to study the micellization behaviors of mixed di-palmitoylphosphatidylcholine (DPPC)/hexadecylphosphocholine (HPC) droplets. By vary-ing DPPC/HPC composition and the size of lipid droplets, various micelles such as spherical and nonspherical (oblate or prolate) vesicles, disk-like micelles, double or single ring-like and worm-like micelles were observed. It is found that the lipid droplet as an initial state favors forming vesicles and ring-like micelles due to in situ micellization. Our simulation results demonstrate that using special initial conditions combined with various molecular compositions is an effective way to tune lipid micellar structure.
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    沈阳化工大学材料科学与工程学院 沈阳 110142

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Dynamics of Micelle Formation from Mixed Lipid Droplets

doi: 10.1063/1674-0068/26/02/203-210
Funds:  This work was supported by the National Natu-ral Science Foundation of China (No.20974078 and No.91127046). Computation was carried out in High Performance Computing Center of Tianjin University.

Abstract: Amphiphilic lipid molecules can form various micelles depending on not only their molecular composition but also their self-assembly pathway. In this work, coarse-grained molecular dynamics simulations have been applied to study the micellization behaviors of mixed di-palmitoylphosphatidylcholine (DPPC)/hexadecylphosphocholine (HPC) droplets. By vary-ing DPPC/HPC composition and the size of lipid droplets, various micelles such as spherical and nonspherical (oblate or prolate) vesicles, disk-like micelles, double or single ring-like and worm-like micelles were observed. It is found that the lipid droplet as an initial state favors forming vesicles and ring-like micelles due to in situ micellization. Our simulation results demonstrate that using special initial conditions combined with various molecular compositions is an effective way to tune lipid micellar structure.

Rui Xu, Zi-lu Wang, Hua-ping Li, Xue-hao He. Dynamics of Micelle Formation from Mixed Lipid Droplets[J]. Chinese Journal of Chemical Physics , 2013, 26(2): 203-210. doi: 10.1063/1674-0068/26/02/203-210
Citation: Rui Xu, Zi-lu Wang, Hua-ping Li, Xue-hao He. Dynamics of Micelle Formation from Mixed Lipid Droplets[J]. Chinese Journal of Chemical Physics , 2013, 26(2): 203-210. doi: 10.1063/1674-0068/26/02/203-210

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