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. 2012 Dec 20;7(12):e51610. doi: 10.1371/journal.pone.0051610

Figure 12. Shell model for solution of Inline graphic -diffusion problem.

Figure 12

(A) The space is divided in spherical shells of thickness of 20 nm and the Inline graphic channel is localized at the center of this configuration (Inline graphic Source). The distance of the BK channel to the Inline graphic source is indicated by R. The equations to be solved on this geometry are the diffusion equation and the interaction with the mobile Inline graphic buffer equations 57. The mobile buffers Bi are also subject to diffusion. We integrated these equations over the spheres taking N points at the middle of the shells where, Inline graphic and Inline graphic. Integrating gives Inline graphic, where Inline graphic is the calcium concentration at shell j and time n, and similar equations for Bj, the buffer concentrations for each shell. The coefficients are,Inline graphic,Inline graphic and Inline graphic and Inline graphic. The Inline graphic diffusion coefficient is 250 Inline graphicm2 s−1 [57]. The buffer diffusion constant and rate constants were taken from ref [57] for calmodulin. B. We have solved the matrix equation as explained in the text. The current was converted to Molar s−1 using the equation Inline graphic, where F is Faraday's constant, i is the current and V is the volume of the shell. The Inline graphic source was assumed to open at time 0 and decay with kinetics similar to the T-type channel. (B) Panel B shows the results of the simulation for shells 1(20 nm, open green circles), 3 (60 nm, open green triangles) and 5 (100 nm, open green diamonds). The black traces show the heuristic Inline graphic kinetics used in figure 11 to fit the I Inline graphic component of BK currents. The bars represent 20 Inline graphicM and 20 ms. (C) Same as in B, except that the Inline graphic source was distributed over the first three shells were updated according to the rule Inline graphic where the flux F was Inline graphic (Shell 1), 0.51Inline graphic (Shell 2) and 0.36Inline graphic (Shell 3) with Inline graphic. The function F is a saturable function of calcium concentration that represents Inline graphic -dependent inactivation. Panel C shows the results for shells 3 (60 nm, open green circles), 6 (120 nm, open green diamonds), and 15 (300 nm, open red triangles). The black traces show the heuristic Inline graphic kinetics used in figure 11 to fit the I Inline graphic component of BK currents. The bars represent 20 Inline graphicM and 60 ms.