Mechanistic Modeling of Implantable Bioresorbable Drug Release Systems

This repository contains the model scripts for the paper Mechanistic Modeling of Implantable Bioresorbable Drug Release Systems:

Patrick A. Giolando, Kelsey Hopkins, Barrett Davis, Joseph Rispoli, Nicole Vike, Adib Ahmadzadegan, Arezoo Arekandi, Pavlos Vlachos, Luis Solorio, Tamara L. Kinzer-Ursem, "Mechanistic Modeling of Implantable Bioresorbable Drug Release Systems," Advanced Materials. 2023. [Accepted].

• Purdue Research Repository Link: link
• Advanced Materials: link

Repository contents

• implant_model.py: main modeling script
• implant_model_10um.py: modeling script for 10 µm beads
• diffusivity_fitter.py: script to calibrate diffusivity parameters
• precipitation_fitter.py: script to calibrate polymer precipitation parameters

Installation

Unix/macOS

To download, edit, and run the files included in this repository, users are recommended to first install or update the python package manager pip and virtual environment tool virtualenv.

python3 -m ensurepip --upgrade
python3 -m pip install --user virtualenv

A new, virtual environment can then be created and activated. Here, this environment will be called isfi.

python3 -m venv isfi       
source isfi/bin/activate

All necessary packages can then be installed with the requirements file requirements.txt.

python3 -m pip install -r requirements.txt

And the contents of this repository cloned (shown below) or manually downloaded from this page. Change directories into the newly-created folder to run its contents. See this page for further help on cloning a repository.

git clone https://github.itap.purdue.edu/TamaraKinzerursemGroup/DrugReleaseSystemModel.git
cd DrugReleaseSystemModel

To confirm installation was successful, call the model file implant_model.py.

python3 ImplantModel.py

Windows

To download, edit, and run the files included in this repository, users are recommended to first install or update the python package manager pip and virtual environment tool virtualenv.

py -m ensurepip --upgrade
py -m pip install --user virtualenv

A new, virtual environment can then be created and activated. Here, this environment will be called isfi.

py -m venv isfi
.\env\Scripts\activate

All necessary packages can then be installed with the requirements file requirements.txt.

py -m pip install -r requirements.txt

And the contents of this repository cloned (shown below) or manually downloaded from this page. Change directories into the newly-created folder to run its contents. See this page for further help on cloning a repository.

git clone https://github.itap.purdue.edu/TamaraKinzerursemGroup/DrugReleaseSystemModel.git
cd DrugReleaseSystemModel

To confirm installation was successful, call the model file implant_model.py.

py ImplantModel.py

Example Output

A successful call to the model file implant_model.py will print timepoints to the users terminal or command prompt during the simulated experimental timecourse.

Day = 0     DrugLeft = 0.979
Day = 1     DrugLeft = 0.822
Day = 2     DrugLeft = 0.802
...
Day = 21    DrugLeft = 0.017
Day = 22    DrugLeft = 0.010

Ultimately, this will generate a figure as below. Normalized drug release (navy) vs experimental data (black).

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Last Updated: 2023-05-09