Figure 1
Algorithm for the estimation of the kinetic parameters of \(N\) analytes at \({N}_{T}\) temperatures. The first part of the algorithm surveys the dissociation phase of the sensorgrams. The results of the first part are used as a starting point for the second part which consists of a second optimization routine over the whole sensorgrams that leads to the final estimates. Estimates of \({k}_{a,i,T}\), \({k}_{d,i,T}\) and \({R}_{max,i}\) for \(i=1, \dots , N\) and \(T=1,\dots ,{N}_{T}\) can be obtained from SPR sensorgrams of \(M\) mixtures of the \(N\) analytes at \({N}_{T}\) temperatures \((M{N}_{T}\ge N)\). The fit is said 'global-global-global' as sensorgrams corresponding to different overall concentrations, different mixtures and different temperatures are used simultaneously in the fitting procedure. Thermodynamic parameters can be extracted from the kinetic parameters at different temperatures via the Van’t Hoff and Eyring equations.
