Team:UIUC Illinois/Modeling

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Modeling

"All science requires mathematics. The knowledge of mathematical things is almost innate in us.... This is the easiest of sciences, a fact which is obvious in that no one's brain rejects it; for laymen and people who are utterly illiterate know how to count and reckon."

-Roger Bacon

Overview: 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.

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

Initial concentration of caffeine, 10 uM and decreases as it degrades to theobromine, 7-methylxanthine, and finally xanthine with final concentration of 10uM, only if our designed bacteria has efficiency of 100%.

Fig2. Caffeine Dehydrogenase Pathway

Denotes initial concentration of caffeine 10 uM and gradually degrades to Trimethyl Uric Acid with final concentration of 10uM

Modeling Dog's intestine

Description:

K_T is the rate of transfer, C_i is concentration of caffeine in intestine of dog, C_b is concentration of caffeine in blood which should be coming down from intestine.
A_i is the surface area of the intestine, V_i is the volume of the intestine, V_b is the volume of blood.
K_cl is the clearance rate.

Fig3. Dog's Intestine & Blood Model

Initial Concentration of Caffeine decreases exponentially in the intestine as caffeine is delivered into the blood and degraded by bacteria. Concentration of caffeine increases in the blood then decreases due to the clearance factor K_cl