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Stochastic Lattice-Based Modeling of Macromolecule Release from Degradable Hydrogel

  • Ghodsiehsadat Jahanmir
    Ghodsiehsadat Jahanmir
    Department of Chemical and Biological Engineering, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon999077, Hong Kong SAR, China
  • Chi Ming Laurence Lau
    Chi Ming Laurence Lau
    Department of Chemical and Biological Engineering, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon999077, Hong Kong SAR, China
  • Yu Yu
    Yu Yu
    Pleryon Therapeutics, DBH Life Science Technology Park, 2028 Shenyan Road, Yantian, Shenzhen518000, China
    More by Yu Yu
  • , and 
  • Ying Chau*
    Ying Chau
    Department of Chemical and Biological Engineering, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon999077, Hong Kong SAR, China
    The Hong Kong University of Science and Technology Shenzhen Institute, Shenzhen518057, China
    *Email: [email protected]
    More by Ying Chau
Cite this: ACS Biomater. Sci. Eng. 2022, 8, 10, 4402–4412
Publication Date (Web):September 3, 2022
https://doi.org/10.1021/acsbiomaterials.2c00505
Copyright © 2022 American Chemical Society

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    Abstract

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    A three-dimensional lattice-based model has been developed to describe the release of a macromolecular drug encapsulated in a degradable hydrogel. The degradation-induced network heterogeneity is considered by assigning varying diffusion coefficients to the lattice sites based on the fitted exponential node-diffusivity relationship. As time passes, due to the degradation of crosslink nodes, diffusivity values in lattice sites progress to higher values. To overcome the size limitation of the computational model and to compare it with experimental data, a scaling ratio based on the random walk equation is developed. The model was able to describe the experimental release data from chemically crosslinked dextran hydrogels. The results showed that the effect of the initial network and the chemistry of crosslink nodes (hydrolysis rate) on the drug release profile cannot be decoupled.

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    The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acsbiomaterials.2c00505.

    • Crosslink node-free reduced diffusivity (D0) calculation (Figure S1); comparison between the proposed model and uniform diffusivity model (Table S1, Figures S2 and S3); scheme showing the basic concept of size scaling (Figure S4); initial grid of parameter μ for the gels (Table S2); result of one-way ANOVA to determine the optimum interval for each gel (Table S3); p-value obtained by one-way ANOVA (MATLAB) for gel H1_2, A2, H1, H2, and A4, respectively (Tables S4-S8). (PDF)

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