Team:UIUC Illinois/Modeling

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Mathematical Modeling of Caffeine Degradation Pathway

To predict the result of bioreactor, we used mathematica to solve differential using Michaelis-Menton equation. The strength of utilizing mathematica rather than matlab was that it allowed us to set up the value of several constants as varying rather than setting it as invariant. Kcat & Km values were obtained through research papers by Swati & Sathyanarayana (2006), and Ryan M.Summers (2010).

This is caffeine demehtlyation pathway by demethlyase. It goes from Caffeine to theobromine to 7-methylxanthine to xanthine. The other pathway is caffeine dehydrogenase. It goes from Caffeine to Trimethyl Uric acid.

First equation corresponds to caffeine concentration at different time. Second corresponds to the concentration of next product at different time.

Parameters

Name	Description
Vm	Maximum rate of system
Kcat	Maximum number of substrate molecules converted into products
Km	Substrate concentration where the reaction rate is half of maximum (depend on both enzyme and substrate)