A universal comparison study of chromatographic response functions

A chromatographic objective function to characterise chromatograms with unknown compounds or without standards available

“…This implies that configurations where there are unresolved peaks merged in a cluster may be scored with a peak count smaller than the number of perceptible peaks, since only the peaks exceeding the threshold associated to a single compound are included in the peak count. This is observed in the chromatograms (5) to (8) in Fig. 2, where the major cluster includes two compounds.…”

“…Other COFs consider the width of the individual peaks, or the full profile including the size. The Snyder's resolution R S is the most popular [1,7,8]:…”

“…Elementary resolution criteria describe the separation between two solutes exhibiting consecutive peaks, or each particular solute from all other solutes in the sample [1][2][3][4][5][6][7][8][16][17][18][19][20]. For this purpose, several COFs of diverse complexity have been proposed.…”

“…Computer-based methodologies are currently the most efficient tools to search the optimal separation conditions in LC [1][2][3][4]. A practical way for determining such conditions is the use of global measurements to appraise the separation quality, using chromatographic objective functions (COFs) [5][6][7][8].…”

Recent applications of chemometrics in one‐ and two‐dimensional chromatography

“…Figure 18 illustrates the simultaneous assessment of retention parameters for two different two-parameter models, the adsorption model for IEX and the LSS model for RPLC, based on two comprehensive two-dimensional chromatograms. Although the retention equations are well established for the conventional LC modes (RPLC, NPLC, and IEX), there is still considerable discussion about the most-suitable (often non-linear) models for more recent retention mechanisms, such as HILIC [227,228,[231][232][233][234][235][236][237], SFC [233,238], and hydrophobic interaction chromatography (HIC) [239][240][241].…”