The Development of a Robust Framework to Unlock the Full Potential of Explicit pH Modeling: An Exploration into Simulating pH within a Mathematical Optimization Framework.

Abstract

Historically, pH has been regarded as a controlled variable rather than an independent variable. The computation is complex, necessitating an understanding of various dissociation constants and exhibiting sensitivity to environmental conditions. Furthermore, numerous metabolic models inadequately incorporate pH-dependent effects. This dissertation addresses the computation of the pH of cell culture media within a mathematical optimization framework, with the objectives of automating the process and developing adaptable code that can be integrated into metabolic models.