Calibration transfer between modelled and commercial pharmaceutical tablet for API quantification using backscattering NIR, Raman and transmission Raman spectroscopy (TRS)

Abstract

Backscattering NIR, Raman (BSR) and transmission Raman spectroscopy (TRS) coupled with chemometrics have shown to be rapid and non-invasive tools for the quantification of active pharmaceutical ingredient (API) content in tablets. However, the developed models are generally specifically related to the measurement conditions and sample characteristics. In this study, a number of calibration transfer methods, including DS, PDS, DWPDS, GLSW and SST, were evaluated for the spectra correction between modelled tablets produced in the laboratory and commercial samples. Results showed that the NIR and BSR spectra of commercial tablet corrected by DWPDS and PDS, respectively, enabled accurate API predictions with the high ratio of prediction error to deviation (RPDP) values of 2.33 and 3.03. The most successfully approach was achieved with DS corrected TRS data and SiPLS modelling (161 variables) and yielded RMSEP of 0.72 %, R2P of 0.946 and RPDP of 4.35. The proposed calibration transfer strategy offers the opportunities to analyse samples produced in different conditions; in the future, its implication will find extensively process control and quality assurance applications and benefit all possible users in the entire pharmaceutical industry.