The Development of a Virtual Liquid Chromatography Method Development Tool
Description:
The development and optimization of Liquid Chromatography (LC) separations can be time consuming and costly, often requiring a number of steps including literature research, column selection, method scouting, method development, and method optimization. To eliminate these steps, an instrument-free, software modeling tool was developed that gives users the ability to select compounds from a database and instantly model a separation on different column phases. Optimization of the chromatogram model can be performed while maintaining critical pair separations by adjusting parameters such as instrument/system effects (e.g. dwell volume and extra column volume), mobile phase preferences, number of gradient steps, and more. The first version contains an initial library of approximately 250 Drugs of Abuse (DoA) with plans to expand by adding additional compounds and more utility.
The initial platform build was completed by validation on a single column dimension by monitoring a set of compounds, collecting retention times using a fast/slow gradient, 30°C/60°C temperature points, as well as acetonitrile/ methanol mobile phases. The modeler was evaluated over four increasingly more complex stages of verification. In the final, most complex stage, new compounds not previously part of the initial DoA library were added and then compared by testing two different column dimensions, two different columns lengths, two different mobile phases, two different stationary phases, three different gradients programs, and three different temperatures against modeled retention time values.
The modeler delivers a fast, no-cost starting point for LC method developers, novice and expert, who either lack the expertise, or the time, to develop or optimize separations quickly and accurately. This novel, virtual method development software can improve turnaround time, increase throughput to existing methods, and offer an on-demand consultative user experience.
Speaker: Melinda Urich - Restek Corporation
Melinda "Mel" Urich is an applications scientist in the LC Solutions department at Restek Corporation. With 10 years of LC experience, from the synthesis of silica to the bonding of stationary phases, her current role is to develop full LC-UV/LC-MS/MS workflow solutions across multiple market sectors. Mel attended Juniata College where she earned her BS in Chemistry.
Co-Authors
The Development of a Virtual Liquid Chromatography Method Development Tool
Category
2023 Call for Oral Abstracts
Description
Session Number: C44-07
Session Type:
Session Date: Tuesday 3/21/2023
Session Time: 1:30 PM - 4:25 PM
Room Number: 115C
Track: Forensics & Toxicology
Category: Education/Teaching, Liquid Chromatography/Mass Spectrometry
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