Analusis 28, 136-140 (2000)
DOI: 10.1051/analusis:2000106

Direct identification of key intermediates in containers using Fourier-transform near-infrared spectroscopy through the protective polyethylene primary packaging

M. Ulmschneider¹ and E. Pénigault<sup>2

1</sup>  Pharmaceutical Quality Control and Assurance F. Hoffmann - La Roche Ltd, CH-4070 Basle, Switzerland
²  Laboratoire de Photochimie Générale, UMR 7525 du CNRS, ENSCMu, 3 rue Alfred Werner, 68093 Mulhouse Cedex, France

(Received July 27, 1999; revised February 10, 2000; accepted February 22, 2000.)

Abstract
A fast and non-destructive Fourier-transform near-infrared (NIR) spectroscopy method with corresponding chemometric calibrations was developed for the identification of key intermediates of pharmaceutical active substances through the protective polyethylene (PE) primary packaging in containers. The samples were measured with a laboratory spectrometer. NIR spectra of incoming containers samples were also recorded for calibration with a spectrometer installed in the warehouse. The spectra of the different samples were recorded by diffuse reflectance with a 2 m long glass fiber optics probe in direct contact with the PE-protected surface of the material. The NIR spectra of the same products were stored in files and principal component analysis combined with cluster analysis were used to refine the identification criteria. To achieve validation of the resulting mathematical models, the samples were split into a calibration set and a validation set. The latter was used for external and independent tests. The resulting NIR application can be transferred to any spectrometer of the same type.

Key words: Near-IR spectroscopy -- key intermediates -- pharmaceutical active substances -- noninvasive identification -- primary packaging -- polyethylene.


© EDP Sciences, Wiley-VCH 2000