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Dissipative Particle Dynamics Simulation of Self-Assembly of Phosphorylcholine-Containing Poly(L-lactide)

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Abstract:

Using dissipative particle dynamics (DPD) approach, we study the self-assembly behaviors of phosphorylcholine-containing poly(L-lactide) (PLLA-PC-PLLA) at the microscopic level. Their evolution of aggregate morphologies and internal distribution are observed. Spherical, cylindrical and lamellar structures are obtained at various concentrations. Additionally, their self-assembly morphologies can also be regulated by the PLA chain length, and short PLA chains facilitate the formation of bilayer structure. Our simulation results agree very well with recent experiments and are consistent with theoretical observations of other kinds of phospholipids, which is useful for the future rational design of bio-inspired materials with tailored properties.

Keywords: DISSIPATIVE PARTICLE DYNAMICS; MICELLES; PHOSPHORYLCHOLINE; POLY(L-LACTIDE); SELF-ASSEMBLING

Document Type: Research Article

DOI: http://dx.doi.org/10.1166/jctn.2011.1900

Publication date: October 1, 2011

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  • Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
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