Chromophoreasy, an Excel-Based Program for Detection and Integration of Peaks from Chromatographic and Electromigration Techniques

Journal of the Brazilian Chemical Society

Oliveira, Marcone A. L.¹  Marques, Rafael¹  Vaz, Fernando A. S.¹  Neves, Leandra N. O.¹  Universidade Federal de Juiz de Fora, Juiz de Fora, Brazil¹  Sato, Renata T.¹ 

关键词:  peak recognition;    peak integration;    chromatography;    capillary electrophoresis;    Excel macros;   

DOI  :  10.5935/0103-5053.20160076

学科分类：化学（综合）

来源: SciELO

【 摘 要 】

This paper describes the development, evaluation, features and applications of Chromophoreasy, an alternative Excel-based program for recognition and integration of chromatographic and electrophoretic peaks. The proposed recognition is made according to parameters adjustable by the analyst, such as time range, noise smoothing window size and slope/curvature sensitivity. During integration, retention/migration time, area, height, half-height width, plate numbers, asymmetry factor, US Pharmacopeia tailing factor, resolution and statistical moments are determined. A chromatogram/electropherogram is plotted along with the found baselines. The effect of peak shape (heights and symmetries) and baseline slope over accuracy was evaluated and the precision of recognition/integration was investigated under several simulated conditions, with varied signal-to-noise levels, smoothing modes and smoothing window sizes. Data from liquid and gas chromatography, capillary electrophoresis and electrochromatography techniques with refractive index, flame ionization, capacitively coupled contactless conductivity (lab-made) and ultraviolet absorbance detections, respectively, were treated, illustrating the broad applicability of the proposed program for standard and sample analysis. Statistically similar results were obtained, when compared with other commercial software, showing it to be a simple, practical and reliable tool for general use in the separation area.

【 授权许可】

Unknown