March 9 - 14, 2003, Orlando, FL, USA, Pittcon

Optimization of Chromatographic Solvent Gradients using a Non-linear Prediction Model

Mike McBrien, Eduard Kolovanov

Abstract

Computer-assisted method development software has been applied with good success to the problem of optimization of chromatographic solvent strength. Typically this prediction has been based on the theory that the logarithm of the retention factor is inversely proportional to the mobile phase strength. Accuracy of these predictions has generally been reasonable for most samples, and chromatographers have typically been willing to accept the results due to the necessity of performing (and interpreting) more test runs prior to applying more complex models.

With the development of ACD/AutoChrom, a fully automatic method development tool, there has been a need for increased accuracy of prediction as well as a willingness to perform more experiments due to the control of the instrument and interpretation of the data by chemometric tools interfaced to the chromatographic optimization software. Advanced Chemistry Development has developed a non-linear prediction model for retention time prediction that increases the prediction accuracy for many chromatographic systems.

Non-linear prediction has been applied to a number of samples that were not modeled well by linear prediction. This increased accuracy of prediction led to the development of more effective methods using fewer injections.

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