Stochastic self-assembly of incommensurate clusters

We examine the classic problem of homogeneous nucleation and growth by deriving and analyzing a fully discrete stochastic master equation. Upon comparison with results obtained from the corresponding mean-field Becker-D\"{o}ring equations we find striking differences between the two corresponding equilibrium mean cluster concentrations. These discrepancies depend primarily on the divisibility of the total available mass by the maximum allowed cluster size, and the remainder. When such mass incommensurability arises, a single remainder particle can "emulsify" or "disperse" the system by significantly broadening the mean cluster size distribution. This finite-sized broadening effect is periodic in the total mass of the system and can arise even when the system size is asymptotically large, provided the ratio of the total mass to the maximum cluster size is finite. For such finite ratios we show that homogeneous nucleation in the limit of large, closed systems is not accurately described by classical mean-field mass-action approaches.Comment: 5 pages, 4 figures, 1 tabl

State Transitions and the Continuum Limit for a 2D Interacting, Self-Propelled Particle System

We study a class of swarming problems wherein particles evolve dynamically via pairwise interaction potentials and a velocity selection mechanism. We find that the swarming system undergoes various changes of state as a function of the self-propulsion and interaction potential parameters. In this paper, we utilize a procedure which, in a definitive way, connects a class of individual-based models to their continuum formulations and determine criteria for the validity of the latter. H-stability of the interaction potential plays a fundamental role in determining both the validity of the continuum approximation and the nature of the aggregation state transitions. We perform a linear stability analysis of the continuum model and compare the results to the simulations of the individual-based one

Structure preserving schemes for mean-field equations of collective behavior

In this paper we consider the development of numerical schemes for mean-field equations describing the collective behavior of a large group of interacting agents. The schemes are based on a generalization of the classical Chang-Cooper approach and are capable to preserve the main structural properties of the systems, namely nonnegativity of the solution, physical conservation laws, entropy dissipation and stationary solutions. In particular, the methods here derived are second order accurate in transient regimes whereas they can reach arbitrary accuracy asymptotically for large times. Several examples are reported to show the generality of the approach.Comment: Proceedings of the XVI International Conference on Hyperbolic Problem

TCR cross-reactivity and allorecognition: new insights into the immunogenetics of allorecognition

Alloreactive T cells are core mediators of graft rejection and are a potent barrier to transplantation tolerance. It was previously unclear how T cells educated in the recipient thymus could recognize allogeneic HLA molecules. Recently it was shown that both naïve and memory CD4+ and CD8+ T cells are frequently cross-reactive against allogeneic HLA molecules and that this allorecognition exhibits exquisite peptide and HLA specificity and is dependent on both public and private specificities of the T cell receptor. In this review we highlight new insights gained into the immunogenetics of allorecognition, with particular emphasis on how viral infection and vaccination may specifically activate allo-HLA reactive T cells. We also briefly discuss the potential for virus-specific T cell infusions to produce GvHD. The progress made in understanding the molecular basis of allograft rejection will hopefully be translated into improved allograft function and/or survival, and eventually tolerance induction

Fluctuations in Polymer Translocation

We investigate a model of chaperone-assisted polymer translocation through a nanopore in a membrane. Translocation is driven by irreversible random sequential absorption of chaperone proteins that bind to the polymer on one side of the membrane. The proteins are larger than the pore and hence the backward motion of the polymer is inhibited. This mechanism rectifies Brownian fluctuations and results in an effective force that drags the polymer in a preferred direction. The translocated polymer undergoes an effective biased random walk and we compute the corresponding diffusion constant. Our methods allow us to determine the large deviation function which, in addition to velocity and diffusion constant, contains the entire statistics of the translocated length.Comment: 20 pages, 6 figure

The McKean-Vlasov Equation in Finite Volume

We study the McKean--Vlasov equation on the finite tori of length scale $L$ in $d$--dimensions. We derive the necessary and sufficient conditions for the existence of a phase transition, which are based on the criteria first uncovered in \cite{GP} and \cite{KM}. Therein and in subsequent works, one finds indications pointing to critical transitions at a particular model dependent value, $\theta^{\sharp}$ of the interaction parameter. We show that the uniform density (which may be interpreted as the liquid phase) is dynamically stable for $\theta < \theta^{\sharp}$ and prove, abstractly, that a {\it critical} transition must occur at $\theta = \theta^{\sharp}$. However for this system we show that under generic conditions -- $L$ large, $d \geq 2$ and isotropic interactions -- the phase transition is in fact discontinuous and occurs at some \theta\t < \theta^{\sharp}. Finally, for H--stable, bounded interactions with discontinuous transitions we show that, with suitable scaling, the \theta\t(L) tend to a definitive non--trivial limit as $L\to\infty$

Collective motion of active Brownian particles in one dimension

We analyze a model of active Brownian particles with non-linear friction and velocity coupling in one spatial dimension. The model exhibits two modes of motion observed in biological swarms: A disordered phase with vanishing mean velocity and an ordered phase with finite mean velocity. Starting from the microscopic Langevin equations, we derive mean-field equations of the collective dynamics. We identify the fixed points of the mean-field equations corresponding to the two modes and analyze their stability with respect to the model parameters. Finally, we compare our analytical findings with numerical simulations of the microscopic model.Comment: submitted to Eur. Phys J. Special Topic

Moth Mating: Modeling Female Pheromone Calling and Male Navigational Strategies to Optimize Reproductive Success

Male and female moths communicate in complex ways to search for and to select a mate. In a process termed calling, females emit small quantities of pheromones, generating plumes that spread in the environment. Males detect the plume through their antennae and navigate toward the female. The reproductive process is marked by female choice and male–male competition, since multiple males aim to reach the female but only the first can mate with her. This provides an opportunity for female selection on male traits such as chemosensitivity to pheromone molecules and mobility. We develop a mathematical framework to investigate the overall mating likelihood, the mean first arrival time, and the quality of the first male to reach the female for four experimentally observed female calling strategies unfolding over a typical one-week mating period. We present both analytical solutions of a simplified model as well as results from agent-based numerical simulations. Our findings suggest that, by adjusting call times and the amount of released pheromone, females can optimize the mating process. In particular, shorter calling times and lower pheromone titers at onset of the mating period that gradually increase over time allow females to aim for higher-quality males while still ensuring that mating occurs by the end of the mating period

Abacavir-Reactive memory T Cells are present in drug naïve individuals

Background Fifty-five percent of individuals with HLA-B*57:01 exposed to the antiretroviral drug abacavir develop a hypersensitivity reaction (HSR) that has been attributed to naïve T-cell responses to neo-antigen generated by the drug. Immunologically confirmed abacavir HSR can manifest clinically in less than 48 hours following first exposure suggesting that, at least in some cases, abacavir HSR is due to re-stimulation of a pre-existing memory T-cell population rather than priming of a high frequency naïve T-cell population. Methods To determine whether a pre-existing abacavir reactive memory T-cell population contributes to early abacavir HSR symptoms, we studied the abacavir specific naïve or memory T-cell response using HLA-B*57:01 positive HSR patients or healthy controls using ELISpot assay, intra-cellular cytokine staining and tetramer labelling. Results Abacavir reactive CD8+ T-cell responses were detected in vitro in one hundred percent of abacavir unexposed HLA-B*57:01 positive healthy donors. Abacavir-specific CD8+ T cells from such donors can be expanded from sorted memory, and sorted naïve, CD8+ T cells without need for autologous CD4+ T cells. Conclusions We propose that these pre-existing abacavir-reactive memory CD8+ T-cell responses must have been primed by earlier exposure to another foreign antigen and that these T cells cross-react with an abacavir-HLA-B*57:01-endogenous peptide ligand complex, in keeping with the model of heterologous immunity proposed in transplant rejection

Chaperone-assisted translocation of a polymer through a nanopore

Using Langevin dynamics simulations, we investigate the dynamics of chaperone-assisted translocation of a flexible polymer through a nanopore. We find that increasing the binding energy $\epsilon$ between the chaperone and the chain and the chaperone concentration $N_c$ can greatly improve the translocation probability. Particularly, with increasing the chaperone concentration a maximum translocation probability is observed for weak binding. For a fixed chaperone concentration, the histogram of translocation time $\tau$ has a transition from long-tailed distribution to Gaussian distribution with increasing $\epsilon$. $\tau$ rapidly decreases and then almost saturates with increasing binding energy for short chain, however, it has a minimum for longer chains at lower chaperone concentration. We also show that $\tau$ has a minimum as a function of the chaperone concentration. For different $\epsilon$, a nonuniversal dependence of $\tau$ on the chain length $N$ is also observed. These results can be interpreted by characteristic entropic effects for flexible polymers induced by either crowding effect from high chaperone concentration or the intersegmental binding for the high binding energy.Comment: 10 pages, to appear in J. Am. Chem. So