โ Scribed by S.J. Kleene; H.C. Cejtin
No coin nor oath required. For personal study only.
Determining ionic concentrations in buffered solutions usually reduces to solving a set of simultaneous polynomial equations. Mathematica software offers a convenient method for doing this. Using buffering of (\mathrm{Ca}^{2+}) by ethylene glycol bis( (\beta)-aminoethyl ether)(N, N, N^{\prime}, N^{\prime})-tetraacetic acid (EGTA) as an example, we provide a Mathematica script to estimate the apparent association constant. A second example shows how to calculate free ion concentrations when two ligands ( (\mathrm{Ca}^{2+}) and (\mathbf{M g}^{2+}) ) compete for one chelator (EGTA). Finally, the concentrations of all species are determined in a complex mixture containing (\mathrm{Ca}^{2+}), EGTA, and calmodulin, a protein with four (\mathrm{Ca}^{2+})-binding sites. Modifying the examples presented should allow analysis of most practical buffering problems. 1994 Academic Press, Inc.
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