Impurities chemometrics

We now illustrate some recent examples of chemometrical modeling of IPC systems for the sake of clarity. In the framework of a quality by design approach, statistically designed experiments were used to optimize the IPC condition for the analysis of atomoxetine and impurities and demonstrate method robustness. 

Gergely promoted the development of ORD methods for the A -3-Ketosteroids and the 17-Keto- and 17-Ethynyl derivatives. The 17-Keto derivative is often present as an impurity in the manufacture of 17-Ethynyl-substituted steroids and is easily quantitated by mathematically fitting the spectrum for the mixture using weighted spectra for the components or by measuring the spectra in two solvents. In the second option, data at two wavelengths are used to prepare simultaneous equations that are solved for the concentrations of both components. The latter was used to quantitate mixtures of corticosteroids and A -3-Ketosteroids. For the most accurate results, however, chemometrics methods are recommended with full spectral data. 

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