February 28 - March 4, 2005, Pittcon 2005, Orlando, FL, USA

Streamlining Chiral Method Development with Software Tools

Margaret Antler, Michael McBrien, Patrick Piras, Christian Roussel, Bernhard Koppenhoefer

Abstract

Chiral method development is a challenge due to the subtle influences of structure on selectivity, and due to the large number of available potential experiments, including multiple techniques and chiral stationary phases. At present, over 180 commercially-available liquid chromatographic stationary phases alone are available. Selecting an appropriate stationary phase is a daunting task, even for experts. Evaluating multiple columns by trial and error can be expensive in terms of time, materials, and labor. When selecting a starting point for a new chiral separation method, past experience can provide clues as to which experiment(s) will be appropriate for the new compound. In general, the more similar two compounds are, the more likely that a related chiral method can be used for both compounds. A database of successful chiral separations that is searchable by chemical structure, fragment, or structure similarity can speed method development significantly. This paper will describe chiral method development using several databases. Strategies for structure-based searches will be discussed, and illustrative examples will be shown.

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Relevant Products/Product Lines: ChirBase for ACD/Labs, ChromManager, ChirBase/GC, ChirBase/CE

Relevant Solution: Chiral method development