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Using a Matlab Implemented Algorithm for UV-vis Spectral Resolution for pKa Determination and Multicomponent Analysis

Authors: Yotam Gonen and Giora Rytwo
Publication Date: 14 Dec 2009
Analytical Chemistry Insights 2009:4 21-27

Yotam Gonen1,2 and Giora Rytwo2,3

1The Faculty of Agriculture, Food and Environmental Quality Sciences, The Hebrew University of Jerusalem, Rehovot 76100, Israel. 2Tel Hai Academic College, Environmental Sciences Department, Upper Galilee 12210, Israel. 3MIGAL, Galilee Technological Center, Kiryat Shmona, Israel.

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 pKa value estimation and multicomponent analysis are presented and other implementations are suggested.

Categories: Analytical chemistry