Using a Matlab implemented algorithm for UV-vis spectral resolution for pKa determination and multicomponent analysis.

Abstract

A Matlab implemented computer code for spectral resolution is presented. The code enables the user to resolve the UV-visible absorption spectrum of a mixture of up to 3 previously known components, to the individual components, thus, evaluating their quantities. The resolving procedure is based on searching the combination of the components which yields the spectrum which is the most similar (minimal RMSE) to the measured spectrum of the mixture. Examples of using the software for pK(a) value estimation and multicomponent analysis are presented and other implementations are suggested.