Departament de Química Analítica, Universitat de Barcelona, Spain.
Anal Chim Acta. 2011 Mar 18;689(2):198-205. doi: 10.1016/j.aca.2011.01.017. Epub 2011 Jan 18.
A new methodology based on the fitting of signals to parametric functions is proposed for the multivariate curve resolution (MCR) analysis of overlapping and peak-shaped voltammetric signals which progressively get broader or narrower and move along the potential axis, thus causing a dramatic loss of linearity. The method is based on the least squares fitting of gaussian functions at both sides of the peaks by using adjustable parameters for the peak height, position and symmetry. It consists of several home-made programs written in Matlab environment, which are freely available as supplementary material of the present work. The application to the systems Zn(II)-oxalate, and to the phytochelatin PC(5) in a wide pH range provides excellent results as compared to these of more conventional linear methods, which raises good expectations about future application to electrochemical and even non-electrochemical data.
提出了一种基于信号拟合参数函数的新方法，用于解析重叠和峰形伏安信号的多元曲线，这些信号逐渐变宽或变窄，并沿着电势轴移动，从而导致线性度显著下降。该方法基于通过使用可调参数（峰高、位置和对称）对峰两侧的高斯函数进行最小二乘拟合。它由几个在 Matlab 环境中编写的自编程序组成，可作为本工作的补充材料免费提供。与更传统的线性方法相比，该方法在 Zn(II)-草酸盐体系和宽 pH 范围内的植物螯合肽 PC(5)中的应用提供了极好的结果，这对未来在电化学甚至非电化学数据中的应用寄予了良好的期望。
