Modelling Human Skin Morphology and Simulating Transdermal Transport of 50 Chemicals

TL;DR

This paper presents computational models of human skin to simulate the transdermal transport of 50 chemicals, providing insights into diffusion mechanisms relevant for pharmaceutical development.

Contribution

It introduces detailed 2D and 3D skin models and applies numerical simulations to analyze chemical permeation, advancing understanding of skin transport processes.

Findings

Diffusion coefficients significantly affect permeation rates.

Age-related skin differences influence chemical absorption.

Simulation results can guide formulation optimization.

Abstract

People use various products containing chemical substances that can diffuse through the human skin barrier and reach deeper layers. Therefore, it is essential to understand the transport mechanisms of these chemicals. We developed computable skin meshes for different anatomical regions of young and old skin in two and three dimensions. Numerical methods were applied to simulate the permeation of 50 chemicals. Diffusion coefficients, partition coefficients, and molecular weights were key factors that influenced diffusion and absorption. These findings provide insights into permeation pathways that can support the development and optimization of pharmaceutical formulations.