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Kinetic modeling competition function

From the viewpoint of modeling, the ultimate goal of the kinetic analysis of pressure-dependent reaction systems is to provide reliable time-independent rate expressions k(T, p) which can be incorporated into large kinetic models. The functional forms of these rate expressions can be rather complicated for multi-channel multiple wells systems, since—as we saw from the examples—the competition of product channels leads to strongly non-Arrhenius behavior. On the other hand, pressure-dependent rate constants for single-well single-channel reaction systems are comparably easy to describe. Therefore, we will divide this discussion into two sections going from simple fall-off systems to complex systems. [Pg.175]

None of the methods so far were able to deal with dynamics of intracellular networks. They were not able to describe the changes in the concentrations of the network intermediates as function of time upon perturbations made to the network, such as the addition of nutrients, growth factors, or drugs. This is what kinetic modelling does. A kinetic model starts from equation (2) by substituting rate equations into the rate vector. Rate equations describe the dependence of a rate of a reaction in the network with respects to its substrates, products, and effectors by the identification of the enzyme mechanism and the parameterisation of its kinetic constants. An example of a rate equation is the following two substrate ( i and 2) and two product (p and p2) reaction with the non-competitive inhibitory effect of x ... [Pg.245]

Cyclodextrins as catalysts and enzyme models It has long been known that cyclodextrins may act as elementary models for the catalytic behaviour of enzymes (Breslow, 1971). These hosts, with the assistance of their hydroxyl functions, may exhibit guest specificity, competitive inhibition, and Michaelis-Menten-type kinetics. All these are characteristics of enzyme-catalyzed reactions. [Pg.167]

Fig. 5. Zero pressure extrapolated cross sections for the competitive collision-induced dissociation processes of (H20)Na+(NH3) with xenon in the threshold region as a function of kinetic energy in the center-of-mass frame (lower axis) and laboratory frame (upper axis). Solid lines show the best fits to the data using the model of Eq. (7) convoluted over the neutral and ion kinetic energies and the internal energies of the reactants, using common scaling factors. Dashed lines show the model cross sections in the absence of experimental energy broadening for reactants with an internal energy of 0 K. Adapted from [45]... Fig. 5. Zero pressure extrapolated cross sections for the competitive collision-induced dissociation processes of (H20)Na+(NH3) with xenon in the threshold region as a function of kinetic energy in the center-of-mass frame (lower axis) and laboratory frame (upper axis). Solid lines show the best fits to the data using the model of Eq. (7) convoluted over the neutral and ion kinetic energies and the internal energies of the reactants, using common scaling factors. Dashed lines show the model cross sections in the absence of experimental energy broadening for reactants with an internal energy of 0 K. Adapted from [45]...

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