Журнал аналитических и биоаналитических методов

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Analyzing the Methods to Remove Artifacts Encountered in the Development of a NIR Quantitative Model for Powder Medicines

Zhen Ni, Yan-Chun Feng and Chang-Qin Hu

The wrapper composition, particle size and crystallinity of powder drugs all affect their NIR spectra. To remove these effects, one must apply proper spectral preprocessing methods and good algorithms before developing a NIR quantitative model. Though different spectral preprocessing methods possess different functions aimed at removing different effects, we have found that use of the first derivative+vector normalization (FD+VN) removes the effects of packaging bottle and particle size in the NIR spectra. The effect of crystallinity cannot be removed with spectral preprocessing methods, but it can be reduced by choosing a proper calibration set, choosing a specific principal component, and applying partial least squares fitting.