Issue 61, 2014

Large-scale dissipative particle dynamics simulations of self-assembled amphiphilic systems

Abstract

We present large-scale simulation results on the self-assembly of amphiphilic systems in bulk solution and under soft confinement. Self-assembled unilamellar and multilamellar vesicles are formed from amphiphilic molecules in bulk solution. The system is simulated by placing amphiphilic molecules inside large unilamellar vesicles (LUVs) and the dynamic soft confinement-induced self-assembled vesicles are investigated. Moreover, the self-assembly of sickle hemoglobin (HbS) is simulated in a crowded and fluctuating intracellular space and our results demonstrate that the HbS self-assembles into polymer fibers causing the LUV shape to be distorted.

Graphical abstract: Large-scale dissipative particle dynamics simulations of self-assembled amphiphilic systems

Supplementary files

Article information

Article type
Communication
Submitted
26 avr. 2014
Accepted
06 juin 2014
First published
06 juin 2014

Chem. Commun., 2014,50, 8306-8308

Author version available

Large-scale dissipative particle dynamics simulations of self-assembled amphiphilic systems

X. Li, Y. Tang, H. Liang and G. E. Karniadakis, Chem. Commun., 2014, 50, 8306 DOI: 10.1039/C4CC03096F

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