A generalization of a chromatographic response function for application in non-target one- and two-dimensional chromatography of complex samples

作者：Matos Joao T V; Duarte Regina M B O^*; Duarte Armando C

来源：Journal of Chromatography A, 2012, 1263: 141-150.

DOI：10.1016/j.chroma.2012.09.037

• Chromatographic response function
• Time-saving criteria
• Chemometrics
• Optimization strategies
• Complex mixtures
• Comprehensive two-dimensional chromatography

New flexible chromatographic response functions for one-dimensional (DCRFf) and two-dimensional chromatography (DCRFf,2D) are put forward and tested for estimating the quality index of separation in non-targeted chromatographic analysis of complex samples. These functions, based on already tested functions, have three clear-cut criteria: number of chromatographic peaks, degree of chromatographic separation, and time spent in the analysis. However, unlike the existing functions, they allow an accurate weighing and adjustment of these criteria according to the needs of the analyst. Special attention was given to the time spent in the analysis by introducing a time-saving criterion, which allowed its application in time dependent chromatographic systems. The performance and flexibility of the strategies based on the developed response functions are tested in different chromatographic scenarios and for several application possibilities using simulated chromatograms.

• 出版日期2012-11-9