The area reactivity model of geminate recombination. 2014

Thorsten Prüstel, and Martin Meier-Schellersheim
Laboratory of Systems Biology, National Institute of Allergy and Infectious Diseases, National Institutes of Health, Bethesda, Maryland 20892, USA.

We investigate the reversible diffusion-influenced reaction of an isolated pair in the context of the area reactivity model that describes the reversible binding of a single molecule in the presence of a binding site in terms of a generalized version of the Feynman-Kac equation in two dimensions. We compute the corresponding exact Green's function in the Laplace domain for both the initially unbound and bound molecule. We discuss convolution relations that facilitate the calculation of the binding and survival probabilities. Furthermore, we calculate an exact analytical expression for the Green's function in the time domain by inverting the Laplace transform via the Bromwich contour integral and derive expressions for the binding and survival probability in the time domain as well. We numerically confirm the accuracy of the obtained expressions by propagating the generalized Feynman-Kac equation in the time domain. Our results should be useful for comparing the area reactivity model with the contact reactivity model.

UI MeSH Term Description Entries
D008956 Models, Chemical Theoretical representations that simulate the behavior or activity of chemical processes or phenomena; includes the use of mathematical equations, computers, and other electronic equipment. Chemical Models,Chemical Model,Model, Chemical
D004058 Diffusion The tendency of a gas or solute to pass from a point of higher pressure or concentration to a point of lower pressure or concentration and to distribute itself throughout the available space. Diffusion, especially FACILITATED DIFFUSION, is a major mechanism of BIOLOGICAL TRANSPORT. Diffusions
D000465 Algorithms A procedure consisting of a sequence of algebraic formulas and/or logical steps to calculate or determine a given task. Algorithm

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