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Mesoscale simulation and experimental studies of self-assembly behavior of a PLA-PEG-PLA triblock copolymer micelle for sustained drug delivery

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Abstract

Dissipative Particle Dynamic simulation (DPD) was employed to investigate PLA-PEG-PLA copolymer micelles to gain more understanding at the molecular level in addition to experimental studies. Critical micelle concentration (cmc), micelle size and small molecule encapsulation of these triblock copolymer micelles with different hydrophobic/hydrophilic (LA/EG) block ratios (2.56, 4.88 and 7.25 with fixed PEG length = 23 monomer units) were determined. Only the appropriated LA/EG block ratio (4.88 and 7.25) can induce the formation of spherical micelle in a dilute solution. The cmc and micelle size were decreased and increased, respectively, as a function of the LA/EG block ratio. Upon adding small solubilizate molecules, a larger micelle size was formed. Then, PLA-PEG-PLA with the same LA/EG block ratios as DPD simulation were synthesized and the micelle solution was prepared. Pyrene was used as the molecular probe to find the cmc by fluorescence spectroscopy. Light scattering was applied to determine the hydrodynamic radius (R H ) of these micelles. The cmc and RH were decreased and increased, respectively, with LA/EG ratio, qualitatively similar to the trends as simulation results. The behavior of these copolymer micelles to encapsulate the small solubilizate molecules was also studied by fluorescence technique. The partition coefficients of pyrene between the water phase and the micelle core were increased with a higher LA/EG block ratio similar to results from the simulation.

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Acknowledgments

MC thanks the National Science and Technology Development Agency (NSDTA) for the Thailand Graduated Institute of Science and Technology (TGIST) scholarship (No. TG-55-19-50-054D) and we thank Computational Nanoscience Consortium (CNC), National Nanotechnology Center, Thailand, for their permission to Material Studio software. We would like to kindly thank Prof. Takahiro Sato, Laboratory of Macromolecular Assemblies, Department of Macromolecular Science, Osaka University, Japan for support of the experiment and discussion. VV would like to thank the research support from Suranaree University of Technology. MC, NP and VV have contributed to this work as 50 %, 10 % and 40 %, respectively.

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Authors and Affiliations

  1. Laboratory of Computational and Applied Polymer Science (LCAPS), School of Chemistry, Institute of Science, Suranaree University of Technology, Nakhon Ratchasima, Thailand

    Mantana Chansuna & Visit Vao-soongnern

  2. Thailand National Science and Technology Development Agency, National Nanotechnology Center (NANOTECH), Pathum Thani, Thailand

    Nuttaporn Pimpha

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  1. Mantana Chansuna
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  2. Nuttaporn Pimpha
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  3. Visit Vao-soongnern
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Correspondence to Visit Vao-soongnern.

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Chansuna, M., Pimpha, N. & Vao-soongnern, V. Mesoscale simulation and experimental studies of self-assembly behavior of a PLA-PEG-PLA triblock copolymer micelle for sustained drug delivery. J Polym Res 21, 452 (2014). https://doi.org/10.1007/s10965-014-0452-1

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