The chemometric resolution and quantification of overlapped peaks form comprehensive two-dimensional liquid chromatography

Comparative analysis of peak-detection techniques for comprehensive two-dimensional chromatography

“…Similarly, the issue of coelutions, although important for peak detection, was not considered herein, as neither the two-step nor watershed algorithm incorporates a solution for coelution. Other techniques have been developed for unmixing coeluted peaks, e.g., [11][12][13][14][15][16][17][18][19][20][21]. Step (2-Step) peak detection algorithms for peaks with parametric skew (s); first-column (x-dimension) peak-width standard deviation, σ x ; second-column (y-dimension) peak-width standard deviation, σ y ; and noise standard deviation, σ n .…”

Analytical applications of second-order calibration methods

“…Second-order calibration can be used to solve the problem of coelution of peaks enabling the quantification of these compounds successfully. Data from many types of chromatographic hyphenations have been used, including LC-LC [28]; LC-DAD [29]; LC-ATR-FTIR [30], LC-MS [31], LC-DAD-MS [32], GC-GC [33], GC-MS [34]. Other configurations related to chromatography that use second-order data are capillary electrophoresis hyphenations CE-DAD [35] and MS-MS [36].…”

“…determinations that cannot be carried out with simpler calibrations due to lack of selectivity. Synthetic samples have also been used to demonstrate the validity of certain data preprocessing algorithms or techniques [126,127] and to compare several second-order algorithms [28]. The first papers published were related to improving the algorithm, its implementation and its performance [113,119,[128][129][130][131].…”

Evaluation of the impact of peak description on the quantitative capabilities of comprehensive two-dimensional liquid chromatography

“…To date, the dominant focus of most LC × LC research has been on qualitative aspects, directed toward increasing and evaluating peak capacity. Relatively few studies have examined details of quantitative analyses by LC × LC [10][11][12].…”