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TitrationFit

TitrationFit is a program for analyses of metal-ligand or host-guest complexation in solution. This program can calculate the equilibrium constants (association constants) for complexation from the spectroscopic titration data using NMR, UV-vis, etc. This program can be used for the deternimation of various kinds of stoichiometries, not only simple 1:1, 1:2 complexation, but also complicated host-guest system involving host isomerization, dimerization, etc. At present, only a Japanese version is available.

A screenshot of the TitrationFit software. The figure shows the simultaneous fitting of four proton signals in the 1H NMR spectra according to the 1:2 binding model.