Unveiling multiple solid-state transitions in pharmaceutical solid dosage forms using multi-series hyperspectral imaging and different curve resolution approaches

作者：Alexandrino Guilherme L^*; Amigo Jose M; Khorasani Milad R; Rantanen Jukka; Friderichsen Anders V; Poppi Ronei J

来源：Chemometrics and Intelligent Laboratory Systems, 2017, 161: 136-146.

DOI：10.1016/j.chemolab.2016.11.004

• Pharmaceuticals
• Solid-state transitions
• Infrared spectroscopy
• Multi-series hyperspectral imaging
• MCR-ALS
• PARAFAC
• PARAFAC2

Solid-state transitions at the surface of pharmaceutical solid dosage forms (SDF) were monitored using multi series hyperspectral imaging (HSI) along with Multivariate Curve Resolution - Alternating Least Squares (MCR-ALS) and Parallel Factor Analysis (PARAFAC and PARAFAC2). First, the solid-state transformation due to the dehydration of the monohydrate forms of piroxicam and lactose to their respective anhydrate counterparts in tablets were monitored using temperature series NIR-HSI. PARAFAC and MCR-ALS solutions were hampered by the lack of strict trilinearity of the pixels among the unfolded series NIR-images (three-way array) and due to rotational ambiguity (augmented matrix), respectively, while PARAFAC2 resolved satisfactorily the profile of the corresponding compounds in the pixels in the series NIR-images. Next, the amorphous-to-crystalline transitions were monitored in solid dispersion of indomethacin with polyvinylpyrrolidone using time series MIR-HSI. MCR-ALS properly resolved the known solid-state forms of the drug in the pixels of the series MIR-images, while PARAFAC and PARAFAC2 failed to properly resolve all the drug forms in the series MIR-images due to i) strict trilinearity leak in the three-way array and the mandatory constant cross-product A(k)(T)A(k) over the k series MIR-images (A is the loadings of the shift mode), respectively. The highlighting of the advantages and limitation of the corresponding curve resolution methods stressed their potential applicability when handling multi-series HSI to study solid-state transitions in pharmaceutical SDFs.

• 出版日期2017-2-15