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A numerical framework for drug transport in a multi-layer system with discontinuous interlayer condition.

Kristinn Gudnason1, Sven Sigurdsson1, Bergthora S Snorradottir2

  • 1Faculty of Industrial Engineering, Mechanical Engineering and Computer Science, University of Iceland, Iceland.

Mathematical Biosciences
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This study introduces a finite element drug delivery framework to model complex material interactions. The model aids in inferring pharmacokinetic properties for optimizing targeted drug delivery systems.

Keywords:
Controlled releaseDiscontinuous boundary conditionsTargeted drug delivery

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Area of Science:

  • Pharmaceutical Sciences
  • Computational Modeling
  • Biomaterials

Background:

  • Discontinuous boundary conditions are common in physical phenomena and challenging to model numerically.
  • In pharmaceutical sciences, partitioning and membrane mass transfer lead to concentration jumps across materials.
  • Accurate modeling is crucial for understanding drug behavior in delivery systems.

Purpose of the Study:

  • To develop a general one-dimensional finite element framework for drug delivery.
  • To incorporate diffusion, binding, dissolution, and inter-material transfer conditions.
  • To enable inference of pharmacokinetic properties for material optimization.

Main Methods:

  • Developed a one-dimensional finite element drug delivery framework.
  • Integrated physical processes: diffusion, reversible binding, dissolution.
  • Incorporated discontinuous boundary conditions for partitioning and mass transfer.
  • Modeled experimental setups using the developed framework.

Main Results:

  • The framework successfully models drug partitioning and mass transfer between material layers.
  • Experimental data combined with the framework allowed inference of pharmacokinetic properties.
  • Identified key material properties influencing drug delivery efficacy.

Conclusions:

  • The finite element framework provides a robust tool for analyzing drug delivery systems.
  • Understanding inferred material properties is essential for optimizing targeted drug delivery.
  • This approach facilitates the development of advanced drug delivery materials.