DryLab data input

HiPac (53) from Phase Separation is another commercially available software package. In several aspects this software is similar to DryLab, but its most important feature is that it can estimate the optimum mobile-phase conditions for the separation of the mixture at hand or only a selected number of peaks. Recently, ChromSword (commercially available from Merck, Germany) was introduced (34). It uses a retention mc el based on solvophobic theory. The input for this package can be the structural formulas of the solutes, the combination of structural formulas and retention data from a single run, or retention data from two runs. Data from additional runs are incorporated into the model, and prediction accuracy below 3% can be achieved under these circumstances. 

In the GC mode, two initial temperature-programmed runs conducted over the same temperature range (i.e., the same initial and final temperatures) at two different heating rates are required for initial input data. For the best combination of predictive range and accuracy, these rates should differ from one another by a factor of about 3. A measured value for and an average value of the column plate number must be entered as well. DryLab software then uses these input data to calibrate the model and consequently, simulating separations of other conditions. 

Two basic gradients with different gradient times (2.5 and 7.5 min) were run at two different column temperatures (20 and 50°C) on BEH phenyl 100 x 2.1 mm, 1.7 pm to optimize the separation of an API intermediate and its impurities. The data was input to Drylab , and a resolution map was obtained and shown in Eigure 1.6, where the smallest value of resolution (Rg) of any two critical peaks in... 

The predicted optimum conditions were run, and the predicted and experimental chromatograms are shown in Figure 1.7. Only data of impurities 1 was input to Drylab because the intermediate and impurity 5 eluted after the gradient. The experimental chromatogram is similar to the predicted chromatogram for impurities 1-4. In addition, retention times of the predicted and experimental chromatograms were listed and compared in Table 1.4. The results indicate that the predicted retention... 

The data was input to Drylab , and the resolution map has been obtained and is shown in Figure 1.8. In this case the critical resolution in the chromatogram is plotted as a function of gradient time (min) and mobile phase buffer pH. The resolution map... 

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