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June 17 - 23, 2006, 29th International Symposium on High Performance Liquid Phase Separations & Related Techniques (HPLC) 2006, San Francisco, CA, USA
A Versatile System for Automating Method Development Data Collection, Interpretation, and Modeling
Margaret Antler1; Michael McBrien1; Andrey Vazhentsev1; Vadim Tashlitsky1; Eduard Kolovanov1; Hartmut Doenges2
1Advanced Chemistry Development, Toronto, Canada;
2Agilent Technologies, Waldbronn, Germany
Abstract
The principles behind computer-assisted chromatographic method development are well established. Experiments are performed in which one or more parameters are modified, and the changes in retention time for each peak are used to predict the best conditions under which to work. Predicted experiments are performed, and the model is refined as necessary. The result is generally a better chromatographic method developed in a shorter time frame. However, for particularly challenging samples, the experiment/prediction cycle may involve a large number of iterations, and a concurrently large amount of time and effort for the chromatographer in terms of data review and management, method design, and instrument configuration. Attempts have been made to fully automate this process, hampered mainly by inability to track (particularly impurity) peaks. In addition, the tools have typically lacked versatility, such that established method development routines were required to be amended in order to fit the capabilities of the tool. This presentation will illustrate a solution to this problem, by combining versatile instrument control with chemometric evaluation of secondary detection techniques. The tool uses both UV-Vis and MS detection to track peaks unequivocally, developing methods resolving even trace impurities. The software is designed to interface directly with LC/MS/DAD instruments, in order to alleviate issues with manual instrument control, but also has unique data handling and storage systems designed to drastically reduce the time required for data review and report creation. A very wide array of instrument configurations and method development approaches are supported by this system.
Download the poster in Adobe Acrobat format (1.25 Mb PDF file).
Relevant Product: ACD/AutoChrom for ChemStation
Relevant Solutions: Method Development, Impurities and degradants
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