Docking simulations and QM/MM studies between isoniazid prodrug, catalase-peroxidase (KatG) and S315T mutant from mycobacterium tuberculosis.
Pharmacokinetics is an excellent way to introduce biomathematical modeling at the sophomore level. Students have the opportunity to develop a mathematical model of a biological phenomenon to which they all can relate. Exploring pharmacokinetics takes students through the necessary stages of mathematical modeling: determining the goals of the model, deciphering between the biological aspects to include in the model, defining the assumptions of the model, and finally, building, analyzing, using, and...
The dynamics of an activator-inhibitor model with general cubic polynomial source is investigated. Without diffusion, we consider the existence, stability and bifurcations of equilibria by both eigenvalue analysis and numerical methods. For the reaction-diffusion system, a Lyapunov functional is proposed to declare the global stability of constant steady states, moreover, the condition related to the activator source leading to Turing instability is obtained in the paper. In addition, taking the...
We derive a biomembrane model consisting of a fluid enclosed by a lipid membrane. The membrane is characterized by its Canham-Helfrich energy (Willmore energy with area constraint) and acts as a boundary force on the Navier-Stokes system modeling an incompressible fluid. We give a concise description of the model and of the associated numerical scheme. We provide numerical simulations with emphasis on the comparisons between different types of flow:...
The paper is devoted to mathematical modelling of erythropoiesis, production of red blood cells in the bone marrow. We discuss intra-cellular regulatory networks which determine self-renewal and differentiation of erythroid progenitors. In the case of excessive self-renewal, immature cells can fill the bone marrow resulting in the development of leukemia. We introduce a parameter characterizing the strength of mutation. Depending on its value, leukemia will or will not develop. The simplest...
A large variety of complex spatio-temporal patterns emerge from the processes occurring in biological systems, one of them being the result of propagating phenomena. This wave-like structures can be modelled via reaction-diffusion equations. If a solution of a reaction-diffusion equation represents a travelling wave, the shape of the solution will be the same at all time and the speed of propagation of this shape will be a constant. Travelling wave solutions of reaction-diffusion systems have been...
We analyze a stochastic neuronal network model which corresponds to an all-to-all network of discretized integrate-and-fire neurons where the synapses are failure-prone. This network exhibits different phases of behavior corresponding to synchrony and asynchrony, and we show that this is due to the limiting mean-field system possessing multiple attractors. We also show that this mean-field limit exhibits a first-order phase transition as a function...
The model analyzed in this paper is based on the model set forth by V.A. Kuznetsov and M.A. Taylor, which describes a competition between the tumor and immune cells. Kuznetsov and Taylor assumed that tumor-immune interactions can be described by a Michaelis-Menten function. In the present paper a simplified version of the Kuznetsov-Taylor model (where immune reactions are described by a bilinear term) is studied. On the other hand, the effect of time delay is taken into account in order to achieve...
This paper presents mathematical models for tuberculosis and its dynamics under the implementation of the direct observation therapy strategy (DOTS) in Nigeria. The models establish conditions for the eradication of tuberculosis in Nigeria based on the fraction of detected infectious individuals placed under DOTS for treatment. Both numerical and qualitative analysis of the models were carried out and the effect of the fraction of detected cases of active TB on the various epidemiological classes...
Für die Lösungen seminlinearer parabolischer Differentialgleichungen werden Einschliessungsaussagen hergeleitet. Hierbei werden Aussagen zur Stabilität von Lösungen ermittelt. Die Resultate werden am Beispiel der Fitzhugh-Nagumo Gleichungen diskutiert.
The calculus of looping sequences is a formalism for describing the evolution of biological systems by means of term rewriting rules. In this paper we enrich this calculus with a type discipline which preserves some biological properties depending on the minimum and the maximum number of elements of some type requested by the present elements. The type system enforces these properties and typed reductions guarantee that evolution preserves them. As an example, we model the hemoglobin structure and...
The calculus of looping sequences is a formalism for describing the evolution of biological systems by means of term rewriting rules. In this paper we enrich this calculus with a type discipline which preserves some biological properties depending on the minimum and the maximum number of elements of some type requested by the present elements. The type system enforces these properties and typed reductions guarantee that evolution preserves them. As an example, we model the hemoglobin structure...