Stochastically switching diffusion with partially reactive surfaces.

Abstract

In this paper we develop a hybrid version of the encounter-based approach to diffusion-mediated absorption at a reactive surface, which takes into account stochastic switching of a diffusing particle's conformational state. For simplicity, we consider a two-state model in which the probability of surface absorption depends on the current particle state and the amount of time the particle has spent in a neighborhood of the surface in each state. The latter is determined by a pair of local times ℓ_{n,t}, n=0,1, which are Brownian functionals that keep track of particle-surface encounters over the time interval [0,t]. We proceed by constructing a differential Chapman-Kolmogorov equationfor a pair of generalized propagators P_{n}(x,ℓ_{0},ℓ_{1},t), where P_{n} is the joint probability density for the set (X_{t},ℓ_{0,t},ℓ_{1,t}) when N_{t}=n, where X_{t} denotes the particle position and N_{t} is the corresponding conformational state. Performing a double Laplace transform with respect to ℓ_{0},ℓ_{1} yields an effective system of equationsdescribing diffusion in a bounded domain Ω, in which there is switching between two Robin boundary conditions on ∂Ω. The corresponding constant reactivities are κ_{j}=Dz_{j} and j=0,1, where z_{j} is the Laplace variable corresponding to ℓ_{j} and D is the diffusivity. Given the solution for the propagators in Laplace space, we construct a corresponding probabilistic model for partial absorption, which requires finding the inverse Laplace transform with respect to z_{0},z_{1}. We illustrate the theory by considering diffusion of a particle on the half-line with the boundary at x=0 effectively switching between a totally reflecting and a partially absorbing state. We calculate the flux due to absorption and use this to compute the resulting MFPT in the presence of a renewal-based stochastic resetting protocol. The latter resets the position and conformational state of the particle as well as the corresponding local times. Finally, we indicate how to extend the analysis to higher spatial dimensions using the spectral theory of Dirichlet-to-Neumann operators.