Fractional Chemotaxis Diffusion Equations

We introduce mesoscopic and macroscopic model equations of chemotaxis with anomalous subdiffusion for modelling chemically directed transport of biological organisms in changing chemical environments with diffusion hindered by traps or macro-molecular crowding. The mesoscopic models are formulated using Continuous Time Random Walk master equations and the macroscopic models are formulated with fractional order differential equations. Different models are proposed depending on the timing of the chemotactic forcing. Generalizations of the models to include linear reaction dynamics are also derived. Finally a Monte Carlo method for simulating anomalous subdiffusion with chemotaxis is introduced and simulation results are compared with numerical solutions of the model equations. The model equations developed here could be used to replace Keller-Segel type equations in biological systems with transport hindered by traps, macro-molecular crowding or other obstacles.Comment: 25page

Fractional chemotaxis diffusion equations

We introduce mesoscopic and macroscopic model equations of chemotaxis with anomalous subdiffusion for modeling chemically directed transport of biological organisms in changing chemical environments with diffusion hindered by traps or macromolecular crowding. The mesoscopic models are formulated using continuous time random walk equations and the macroscopic models are formulated with fractional order differential equations. Different models are proposed depending on the timing of the chemotactic forcing. Generalizations of the models to include linear reaction dynamics are also derived. Finally a Monte Carlo method for simulating anomalous subdiffusion with chemotaxis is introduced and simulation results are compared with numerical solutions of the model equations. The model equations developed here could be used to replace Keller-Segel type equations in biological systems with transport hindered by traps, macromolecular crowding or other obstacles

A clarification of the Goodwin model of the growth cycle

We show that there is a difficulty in the original Goodwin model which isalso found in some more recent applications. In it both the labour share and theproportion employed can exceed unity, properties which are untenable. However, weshow that the underlying dynamic structure of the model can be reformulated toensure that these variables cannot exceed unity. An illustrative example extends theoriginal model, and we argue it is both plausible and satisfies the necessary unit boxrestrictions. We show that there is a difficulty in the original Goodwin model which isalso found in some more recent applications. In it both the labour share and theproportion employed can exceed unity, properties which are untenable. However, weshow that the underlying dynamic structure of the model can be reformulated toensure that these variables cannot exceed unity. An illustrative example extends theoriginal model, and we argue it is both plausible and satisfies the necessary unit boxrestrictions

Dissecting the Functions of Conserved Prolines within Transmembrane Helices of the D2 Dopamine Receptor

G protein-coupled receptors (GPCRs) contain a number of conserved proline residues in their transmembrane helices, and it is generally assumed these play important functional and/or structural roles. Here we use unnatural amino acid mutagenesis, employing α-hydroxy acids and proline analogues, to examine the functional roles of five proline residues in the transmembrane helices of the D2 dopamine receptor. The well-known tendency of proline to disrupt helical structure is important at all sites, while we find no evidence for a functional role for backbone amide cis–trans isomerization, another feature associated with proline. At most proline sites, the loss of the backbone NH is sufficient to explain the role of the proline. However, at one site, P210^(5.50), a substituent on the backbone N appears to be essential for proper function. Interestingly, the pattern in functional consequences that we see is mirrored in the pattern of structural distortions seen in recent GPCR crystal structures

Multiple core hole formation by free-electron laser radiation in molecular nitrogen

We investigate the formation of multiple-core-hole states of molecular nitrogen interacting with a free-electron laser pulse. We obtain bound and continuum molecular orbitals in the single-center expansion scheme and use these orbitals to calculate photo-ionization and Auger decay rates. Using these rates, we compute the atomic ion yields generated in this interaction. We track the population of all states throughout this interaction and compute the proportion of the population which accesses different core-hole states. We also investigate the pulse parameters that favor the formation of these core-hole states for 525 eV and 1100 eV photons

Generalised fractional diffusion equations for subdiffusion on arbitrarily growing domains

Many physical phenomena occur on domains that grow in time. When the timescales of the phenomena and domain growth are comparable, models must include the dynamics of the domain. A widespread intrinsically slow transport process is subdiffusion. Many models of subdiffusion include a history dependence. This greatly confounds efforts to incorporate domain growth. Here we derive the fractional partial differential equations that govern subdiffusion on a growing domain, based on a Continuous Time Random Walk. This requires the introduction of a new, comoving, fractional derivative.Comment: 12 pages, 1 figur

Fractional Fokker-Planck Equations for Subdiffusion with Space-and-Time-Dependent Forces

We have derived a fractional Fokker-Planck equation for subdiffusion in a general space-and- time-dependent force field from power law waiting time continuous time random walks biased by Boltzmann weights. The governing equation is derived from a generalized master equation and is shown to be equivalent to a subordinated stochastic Langevin equation.Comment: 5 page