使用一种在Matlab中实现的算法进行紫外可见光谱分辨率分析，以确定pKa并进行多组分分析。

Gonen Yotam, Rytwo Giora

The Faculty of Agriculture, Food and Environmental Quality Sciences, The Hebrew University of Jerusalem, Rehovot 76100, Israel.

Anal Chem Insights. 2009 Dec 14;4:21-7. doi: 10.4137/aci.s3499.

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.

本文介绍了一种用Matlab实现的用于光谱分辨率的计算机代码。该代码可让用户将由多达3种先前已知成分组成的混合物的紫外-可见吸收光谱解析为各个成分的光谱，从而评估它们的含量。解析过程基于搜索各成分的组合，该组合产生的光谱与混合物的测量光谱最相似（均方根误差最小）。文中给出了使用该软件进行pK(a)值估计和多组分分析的示例，并提出了其他应用。