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

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Guilherme L Alexandrino, Jose Manuel Amigo Rubio, Milad Rouhi Khorasani, Jukka Rantanen, Anders V. Friderichsen, Ronei J. Poppi

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 ii) the mandatory constant cross-product AkTAk 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
Original languageEnglish
JournalChemometrics and Intelligent Laboratory Systems
Volume161
Pages (from-to)136-146
Number of pages11
ISSN0169-7439
DOIs
Publication statusPublished - 2017

    Research areas

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

ID: 176437412