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Team:UIUC Illinois/Modeling
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Revision as of 06:07, 17 October 2014
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) |
Fig1. Caffeine Demethylation Pathway.
Modeling Dog's intestine
Description:
In addition to the model of the degradation of caffeine through the two pathways as shown above, it is possible to model the transport of caffeine through two body compartments: blood, small intestine. By doing so, we could understand the optimal levels of bacteria that we would need in order to degrade the maximum concentration of caffeine. In the research book “Solving Ordinary Equations in R” by Soetaert (2012), they list two equations which could model any drug concentration in the intestine represented by y_1 and in the blood represented by y_2
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