bi bi reaction ping pong mechanism (ODE model)

Community: MathModDB

continuous-time model	deterministic model	dimensional model	dynamic model	mathematical model	nonlinear model

Available identifiers

MaRDI QIDQ6675346

bi bi reaction model following a ping-pong mechanism

Description

Ordinary differential equations for the rates of change of all chemical species (substrate 1 and 2, enzyme, enzyme - substrate 1 - complex, intermediate, intermediate - substrate 2 - complex, product 1 and 2) in a Bi Bi Reaction following the Ping Pong Mechanism. kᵢ with positive or negative i represents the rate constant of the forward- or backward-reaction i-th reaction step.

List of contained entities

bi bi reaction ping pong mechanism ODE system	$\begin{matrix} \frac{d c_{S_{1}}}{d t} & = k_{- 1} c_{E S_{1}} - k_{1} c_{E} c_{S_{1}} \\ \frac{d c_{S_{2}}}{d t} & = k_{- 3} c_{E * S_{2}} - k_{3} c_{E } c_{S_{2}} \\ \frac{d c_{E}}{d t} & = k_{- 1} c_{E S_{1}} + k_{4} c_{E S_{2}} - k_{1} c_{E} c_{S_{1}} - k_{- 4} c_{E} c_{P_{2}} \\ \frac{d c_{E S_{1}}}{d t} & = k_{1} c_{E} c_{S_{1}} + k_{- 2} c_{E } c_{P_{1}} - k_{- 1} c_{E S_{1}} - k_{2} c_{E S_{1}} \\ \frac{d c_{E }}{d t} & = k_{2} c_{E S_{1}} + k_{- 3} c_{E * S_{2}} - k_{- 2} c_{E } c_{P_{1}} - k_{3} c_{E } c_{S_{2}} \\ \frac{d c_{E * S_{2}}}{d t} & = k_{3} c_{E } c_{S_{2}} + k_{- 4} c_{E} c_{P_{2}} - k_{- 3} c_{E S_{2}} - k_{4} c_{E * S_{2}} \\ \frac{d c_{P_{1}}}{d t} & = k_{2} c_{E S_{1}} - k_{- 2} c_{E } c_{P_{1}} \\ \frac{d c_{P_{2}}}{d t} & = k_{4} c_{E S_{2}} - k_{- 4} c_{P_{2}} c_{E} \end{matrix}$
	$\frac{d c_{E * S_{2}}}{d t}$ represents reaction rate of intermediate - substrate 2 complex
	$\frac{d c_{E *}}{d t}$ represents reaction rate of intermediate
	$\frac{d c_{E S_{1}}}{d t}$ represents reaction rate of enzyme - substrate 1 complex
	$\frac{d c_{E}}{d t}$ represents reaction rate of enzyme
	$\frac{d c_{P_{1}}}{d t}$ represents reaction rate of product 1
	$\frac{d c_{P_{2}}}{d t}$ represents reaction rate of product 2
	$\frac{d c_{S_{1}}}{d t}$ represents reaction rate of substrate 1
	$\frac{d c_{S_{2}}}{d t}$ represents reaction rate of substrate 2
	$c_{E * S_{2}}$ represents intermediate - substrate 2 complex concentration
	$c_{E *}$ represents intermediate concentration
	$c_{E S_{1}}$ represents enzyme - substrate 1 complex concentration
	$c_{E}$ represents enzyme concentration
	$c_{P_{1}}$ represents product 1 concentration
	$c_{P_{2}}$ represents product 2 concentration
	$c_{S_{1}}$ represents substrate 1 concentration
	$c_{S_{2}}$ represents substrate 2 concentration
	$k_{- 1}$ represents reaction rate constant
	$k_{- 2}$ represents reaction rate constant
	$k_{- 3}$ represents reaction rate constant
	$k_{- 4}$ represents reaction rate constant
	$k_{1}$ represents reaction rate constant
	$k_{2}$ represents reaction rate constant
	$k_{3}$ represents reaction rate constant
	$k_{4}$ represents reaction rate constant
	$t$ represents time

enzyme conservation	$c_{E_{0}} = c_{E} + c_{E X}$
	$c_{E X}$ represents complexed enzyme concentration
	$c_{E_{0}}$ represents enzyme concentration
	$c_{E}$ represents enzyme concentration

initial enzyme - substrate 1 - complex concentration (bi bi reaction ping pong - ODE model)	$c_{E S_{1}} (t = 0) = c_{{E S_{1}}_{0}}$	initial condition
	$c_{E S_{1}}$ represents concentration
	$t$ represents time

initial enzyme concentration (bi bi reaction ping pong - ODE model)	$c_{E} (t = 0) = c_{E_{0}}$	initial condition
	$c_{E}$ represents concentration
	$t$ represents time

initial intermediate - substrate 2 - complex concentration (bi bi reaction ping pong - ODE model)	$c_{E * S_{2}} (t = 0) = c_{E * S_{2_{0}}}$	initial condition
	$c_{E * S_{2}}$ represents concentration
	$t$ represents time

initial intermediate concentration (bi bi reaction ping pong - ODE model)	$c_{E} * (t = 0) = c_{E *_{0}}$	initial condition
	$c_{E *}$ represents concentration
	$t$ represents time

initial product 1 concentration (bi bi reaction ping pong - ODE model)	$c_{P_{1}} (t = 0) = c_{P_{1, 0}}$	initial condition
	$c_{P_{1}}$ represents concentration
	$t$ represents time

initial product 2 concentration (bi bi reaction ping pong - ODE model)	$c_{P_{2}} (t = 0) = c_{P_{2, 0}}$	initial condition
	$c_{P_{2}}$ represents concentration
	$t$ represents time

initial substrate 1 concentration (bi bi reaction ping pong - ODE model)	$c_{S_{1}} (t = 0) = c_{S_{1, 0}}$	initial condition
	$c_{S_{1}}$ represents concentration
	$t$ represents time

initial substrate 2 concentration (bi bi reaction ping pong - ODE model)	$c_{S_{2}} (t = 0) = c_{S_{2, 0}}$	initial condition
	$c_{S_{2}}$ represents concentration
	$t$ represents time

law of mass action	$v = k \prod_{i = 1}^{n} c_{i}$
	$c_{i}$ represents concentration
	$k$ represents reaction rate constant
	$n$ represents molecularity
	$v$ represents reaction rate

mass balance	$δ_{t} + \nabla F = 0$

List of computational tasks

parameter estimation of enzyme kinetics
sensitivity analysis of complex kinetic systems
simulation of complex kinetic systems

Described at:

Kinetic and reactor modelling of lipases catalyzed (R, S)-1-phenylethanol resolution	(review)

Mathematical models specializing bi bi reaction ping pong mechanism (ODE model)

bi bi reaction Ping Pong mechanism Michaelis Menten model with products 1 and 2 (steady state assumption)	assumes	steady state assumption
bi bi reaction ping pong mechanism Michaelis Menten model with product 1 (steady state assumption)	assumes	steady state assumption
bi bi reaction ping pong mechanism Michaelis Menten model with product 2 (steady state assumption)	assumes	steady state assumption
bi bi reaction ping pong mechanism Michaelis Menten model without products (steady state assumption)	assumes	steady state assumption

Further items linking to bi bi reaction ping pong mechanism (ODE model)

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