TY - JOUR
T1 - Unveiling multiple solid-state transitions in pharmaceutical solid dosage forms using multi-series hyperspectral imaging and different curve resolution approaches
AU - Alexandrino, Guilherme L
AU - Amigo Rubio, Jose Manuel
AU - Khorasani, Milad Rouhi
AU - Rantanen, Jukka
AU - Friderichsen, Anders V.
AU - Poppi, Ronei J.
PY - 2017/2/15
Y1 - 2017/2/15
N2 - 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
AB - 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
KW - Pharmaceuticals
KW - Solid-state transitions
KW - Infrared spectroscopy
KW - Multi-series hyperspectral imaging
KW - MCR-ALS
KW - PARAFAC
KW - PARAFAC2
U2 - 10.1016/j.chemolab.2016.11.004
DO - 10.1016/j.chemolab.2016.11.004
M3 - Journal article
SN - 0169-7439
VL - 161
SP - 136
EP - 146
JO - Chemometrics and Intelligent Laboratory Systems
JF - Chemometrics and Intelligent Laboratory Systems
ER -