Stochastic fire-diffuse-fire model with realistic cluster dynamics Ana Calabrese, 1,2 Daniel Fraiman, 3 Daniel Zysman, 4 and Silvina Ponce Dawson 1 1 Departamento de Física, FCEN-UBA, Ciudad Universitaria, Pabellón I, 1428 Buenos Aires, Argentina 2 Center for Theoretical Neuroscience, Columbia University, 1051 Riverside Drive, New York, New York 10032, USA 3 Departamento de Matemática y Ciencias, Universidad de San Andrés, Buenos Aires, Argentina 4 Department of Biology and Centre for Neural Dynamics, University of Ottawa, 30 Marie-Curie, Ottawa, Ontario, Canada K1N 6N5 Received 7 March 2010; revised manuscript received 19 July 2010; published 22 September 2010 Living organisms use waves that propagate through excitable media to transport information. Ca 2+ waves are a paradigmatic example of this type of processes. A large hierarchy of Ca 2+ signals that range from localized release events to global waves has been observed in Xenopus laevis oocytes. In these cells, Ca 2+ release occurs trough inositol 1,4,5-trisphosphate receptors IP 3 Rswhich are organized in clusters of channels located on the membrane of the endoplasmic reticulum. In this article we construct a stochastic model for a cluster of IP 3 R’s that replicates the experimental observations reported in D. Fraiman et al., Biophys. J. 90, 3897 2006. We then couple this phenomenological cluster model with a reaction-diffusion equation, so as to have a discrete stochastic model for calcium dynamics. The model we propose describes the transition regimes between isolated release and steadily propagating waves as the IP 3 concentration is increased. DOI: 10.1103/PhysRevE.82.031910 PACS numbers: 87.16.Xa, 87.16.A-, 87.10.Mn I. INTRODUCTION Oscillations and waves in the concentration of free intra- cellular calcium Ca 2+ are seen in a variety of cells and are known to be an important intra and intercellular signaling system 1. It is thus of interest to determine the mechanisms underlying such complex dynamic behavior. In many cell types, a key component of this signaling pathway is the inositol triphosphate receptor IP 3 R, which is also a Ca 2+ channel. The spatiotemporal properties of signals arising through IP 3 R’s have been extensively characterized by opti- cal imaging in Xenopus laevis oocytes 2. In these cells, Ca 2+ imaging techniques have revealed that the cytoplasm does not act as a continuous, homogeneous excitable me- dium. Instead, Ca 2+ liberation occurs at discrete functional release sites spaced a few micrometers apart, composed of several clustered IP 3 R’s 28. The open probability of IP 3 R’s depends on both the IP 3 and cytosolic Ca 2+ concen- trations 9,10. A key feature, is the well-established biphasic action of Ca 2+ in both facilitating and inhibiting the opening of IP 3 R’s, through which Ca 2+ is liberated into the cytosol. For relatively low Ca 2+ , the Ca 2+ released by one channel increases the open probability of neighboring channels, whereas at high Ca 2+ , it inhibits the channels and termi- nates the release 1115. This dependence of the open prob- ability of the release channels on cytosolic Ca 2+ creates com- munication between channels. As a result of the combination of the channels spatial organization and of the process of Ca 2+ -induced Ca 2+ release CICR1618, cytosolic Ca 2+ signals in oocytes display a hierarchical spatio-temporal organization spanning over six orders of magnitude, which include Ca 2+ “blips” that repre- sent the release of Ca 2+ through a single or a few IP 3 R’s 4,19,20, “puffs” that involve the concerted opening of sev- eral IP 3 R’s in a cluster 4,2022and Ca 2+ waves that propa- gate globally across the cell by successive cycles of CICR and Ca 2+ diffusion between clusters 2123. Ca 2+ puffs re- flect the dynamics of IP 3 R’s within a cluster. This dynamics is ruled by the kinetics of each channel and by the interaction among them due to the spatiotemporal Ca 2+ distribution on the nanometer scale. Several mathematical models have been proposed to de- scribe Ca 2+ release through clustered IP 3 R’s. The approaches vary depending on the spatial and time scale that they try to resolve. The dynamics of localized signals such as puffs has been simulated with models that include a detailed stochastic description of the channels in the cluster and which resolve distances on the nanometer scale 5,7. Using this fine spatial resolution and the characteristic time scale of single channel transitions msto describe Ca 2+ waves which travel mil- limeter distances and last for hundreds of seconds is compu- tationally expensive 5,24. For this reason, mathematical models of this type of global signals involve different ap- proximations. For some time most such models were deter- ministic see, e.g., 25 while stochastic models were left to account for local signals such as puffs 5,18,2628. It is currently clear, however, that stochastic effects are not only relevant for local release events but are a fundamental aspect of the Ca 2+ dynamics for the full range of observed signals, including waves 2933. Efficient modeling strategies are necessary to include the intrinsic stochasticity of Ca 2+ global signals describing, at the same time, the largest scales in- volved. Some of the approaches presented in the literature assumed that clustered IP 3 R’s are in such close contact that Ca 2+ could be considered homogeneous throughout the cluster 26,34 38. This type of models can be further sim- plified as done in 39,40, where it is assumed that Ca 2+ at one cluster depends only on the number of nearest release sites where there are open channels and that each neighbor- ing activesite adds a time-independent contribution to Ca 2+ . Some years ago a finite element hybrid scheme was introduced to resolve the spatial gradients close to a channel and simulate calcium signals efficiently 41. The algorithm was used to simulate local signals. More recently, we intro- duced a model that resolves the dynamics of Ca 2+ in the intracluster region using a fine grid and some simplifications 42. The dynamics in the region outside the cluster is de- PHYSICAL REVIEW E 82, 031910 2010 1539-3755/2010/823/03191012©2010 The American Physical Society 031910-1