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

摘要: Abstract Getting useful chemical information from samples containing many compounds is still a challenge to analysts in liquid chromatography. The highest complexity corresponds for which there no prior knowledge about their composition. Computer-based methodologies are currently considered as the most efficient tools optimise chromatographic resolution, and further finding optimal separation conditions. However, objective functions (COFs) described literature measure resolution based on mathematical models fitted with obtained standards, cannot be applied unknown compounds. In this work, new COF automatic measurement of protruding part peaks (or peak prominences) that indicates number perceptible global without need developed. proposed was found satisfactory regard purity criterion when artificial simulated chromatograms mixtures built using standards. approach drugs impurities degradation products extracts medicinal herbs, eluted acetonitrile–water isocratic gradient elution.