Characterization of a high throughput approach for large scale retention measurement in liquid chromatography

Experimental design and re-parameterization of the Neue-Kuss model for accurate and precise prediction of isocratic retention factors from gradient measurements in reversed phase liquid chromatography

“…Lists of the compounds and columns are provided in the supplementary material as Tables S1 and S2. These data are freely available for interested researchers [15,16] Further experimental details are provided in reference [15] Retention data were collected for acetophenone, butyrophenone, 4,4'-dipyridyl, pnitrophenol and nortriptyline (obtained from Sigma Aldrich). Isocratic retention measurements were carried out for organic phase compositions that led to retention factors in the range of 1 to 20, at seven different organic compositions for each compound.…”

“…Our research over the past several years has focused on the high-throughput production of retention data for the purposes of fitting to the NK and other retention models [15,17]. It has been increasingly evident that methods for enhancing the automation in the experimental design are critical, especially when carrying out gradient retention experiments.…”