The Development of a Virtual Liquid Chromatography Method Development Tool

The development and optimization of Liquid Chromatography (LC) separations can be time-consuming and costly, often requiring several steps, including literature research, column selection, method scouting, method development, and method optimization. In an effort to eliminate these steps, an instrument-free, software modeling tool that gives users the ability to select compounds from a database and instantly model a separation on different column phases was developed. Optimization of the model can be performed while maintaining critical pair separations by adjusting for instrument/system effects (e.g., dwell volume and extra column volume), mobile phase preferences, number of gradient steps, and more. The modeler delivers a fast, no-cost starting point. The initial database consists of a Drugs of Abuse (DoA) library containing approximately 250 compounds with plans to continually expand the utility. For LC method developers, novice, and expert, who either lack the expertise, or the time, to develop separations quickly and accurately, this tool can be used to deliver a fast, no-cost starting point for method development and optimization. This novel, virtual method development software can improve turnaround time, increase throughput to existing methods, and offer an on-demand consultative user experience.