AN IMPROVED COMPUTATIONAL APPROACH TO THE DETERMINATION OF THERMODYNAMIC AND SPECTRAL COMPLEXATION PARAMETERS FROM OVERLAPPING BANDS - APPLICATIONS TO THE CASE OF THE CIBACRON DIMER AND TO THE MULTIPLE HSA-LEVAFIX ASSOCIATION

An algorithm for the simultaneous evaluation of the thermodynamic para meters related to multiple equilibria and of the spectra of the comple xes is described. The algorithm can accept as input data any stoicheio metry for complexed species and relies on the simultaneous fitting of large sets of data obtained at different concentrations, temperatures and wavelengths. Data from different measuring techniques, such as UV- Vis absorption or circular dichroism, may be included in a single fit. Details on an easily modifiable, yet computationally efficient implem entation of the algorithm on a standard PC are given. Results are pres ented for the dimer aggregation of the dye Cibacron Blue F3GA and for the association of HSAv with the dye Levafix.