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Experimental and Computational Study on the Microfluidic Control of Micellar Nanocarrier Properties

ACS Omega, vol. 6, pp. 23117–23128

Abstract

High Resolution Image Download MS PowerPoint Slide Microfluidic-based synthesis is a powerful technique to prepare well-defined homogenous nanoparticles (NPs). However, the mechanisms defining NP properties, especially size evolution in a microchannel, are not fully understood. Herein, microfluidic and bulk syntheses of riboflavin (RF)-targeted poly(lactic- co -glycolic acid)-poly(ethylene glycol) (PLGA-PEG-RF) micelles were evaluated experimentally and computationally. Using molecular dynamics (MD), a conventional “random” model for bulk self-assembly of PLGA-PEG-RF was simulated and a conceptual “interface” mechanism was proposed for the microfluidic self-assembly at an atomic scale. The simulation results were in agreement with the observed experimental outcomes. NPs produced by microfluidics were smaller than those prepared by the bulk method. The computational approach suggested that the size-determining factor in microfluidics is the boundary of solvents in the entrance region of the microchannel, explaining the size difference between the two experimental methods. Therefore, this computational approach can be a powerful tool to gain a deeper understanding and optimize NP synthesis.

Authors 10

  1. Urmia University of Technology · RWTH Aachen University

    Affiliation as printed

    Department of Chemical Engineering, Urmia University of Technology, 57166-93188 Urmia, Iran

    Institute for Experimental Molecular Imaging, Medical Faculty, RWTH Aachen International University, 52074 Aachen, Germany

  2. Universal Scientific Education and Research Network

    Affiliation as printed

    Computational Biology and Chemistry Group (CBCG), Universal Scientific Education and Research Network (USERN), Tehran 1449614535 Iran

  3. Charité - Universitätsmedizin Berlin · RWTH Aachen University

    Affiliation as printed

    Department of Experimental Neurology, Charité −Universitätsmedizin Berlin, 10117 Berlin, Germany

    Institute for Experimental Molecular Imaging, Medical Faculty, RWTH Aachen International University, 52074 Aachen, Germany

  4. Amirkabir University of Technology · Universal Scientific Education and Research Network

    Affiliation as printed

    Computational Biology and Chemistry Group (CBCG), Universal Scientific Education and Research Network (USERN), Tehran 1449614535 Iran

    Department of Chemical Engineering, Amirkabir University of Technology (Tehran Polytechnic), 424 Hafez Avenue, Tehran 1591634311, Iran

  5. DWI – Leibniz Institute for Interactive Materials

    Affiliation as printed

    DWI-Leibniz Institute for Interactive Materials, Forckenbeckstr. 50, 52074 Aachen, Germany

  6. Amirkabir University of Technology

    Affiliation as printed

    Department of Chemical Engineering, Amirkabir University of Technology (Tehran Polytechnic), 424 Hafez Avenue, Tehran 1591634311, Iran

  7. RWTH Aachen University

    Affiliation as printed

    Institute for Experimental Molecular Imaging, Medical Faculty, RWTH Aachen International University, 52074 Aachen, Germany

  8. Institut National de la Recherche Scientifique

    Affiliation as printed

    Centre Énergie Matériaux Télécommunications, Institut national de la recherché, 1650 Boul. Lionel-Boulet, Varennes, Quebec J3X 1S2, Canada

  9. Marquette University

    Affiliation as printed

    School of Dentistry, Marquette University, Milwaukee, Wisconsin 53233, United States

  10. RWTH Aachen University

    Affiliation as printed

    Institute for Experimental Molecular Imaging, Medical Faculty, RWTH Aachen International University, 52074 Aachen, Germany

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References 63