Please use this identifier to cite or link to this item: https://doi.org/10.1016/j.ejps.2010.10.004
Title: Detection of trace crystallinity in an amorphous system using Raman microscopy and chemometric analysis
Authors: Widjaja, E.
Kanaujia, P.
Lau, G.
Ng, W.K.
Garland, M.
Saal, C.
Hanefeld, A.
Fischbach, M.
Maio, M.
Tan, R.B.H. 
Keywords: Active pharmaceutical ingredients
Amorphous
Band-target entropy minimization
Formulation
Hot melt extrusion
Polymorphism
Raman microscopy
Target transformation factor analysis
Trace crystallinity
Issue Date: 18-Jan-2011
Source: Widjaja, E., Kanaujia, P., Lau, G., Ng, W.K., Garland, M., Saal, C., Hanefeld, A., Fischbach, M., Maio, M., Tan, R.B.H. (2011-01-18). Detection of trace crystallinity in an amorphous system using Raman microscopy and chemometric analysis. European Journal of Pharmaceutical Sciences 42 (1-2) : 45-54. ScholarBank@NUS Repository. https://doi.org/10.1016/j.ejps.2010.10.004
Abstract: A novel analytical method to detect and characterize active pharmaceutical ingredient (API) trace crystallinity in an amorphous system using Raman microscopy and chemometric methods, namely band-target entropy minimization (BTEM) and target transformation factor analysis (TTFA) is developed. The method starts with Raman mapping measurements performed on some random areas of the amorphous system. This is followed by chemometric data analysis. In the case of a system without any a priori information, the BTEM algorithm is used to recover a set of pure component Raman spectral estimates followed by component and/or crystal structure identification. In the case of a system with some a priori information, TTFA is used to predict the presence or existence of a suspected component and/or crystal structure in the observed system. Four different amorphous systems were used as models. It is demonstrated that combined Raman microscopy and chemometric methods (BTEM or TTFA) outperformed powder X-ray diffraction (PXRD) in detecting trace crystallinity in amorphous systems. The spatial distributions of drug and polymer can also be directly obtained in order to study the homogeneity of the APIs in the solid dispersions. The present methodology appears very general and applicable to many other types of systems. © 2010 Elsevier B.V. All rights reserved.
Source Title: European Journal of Pharmaceutical Sciences
URI: http://scholarbank.nus.edu.sg/handle/10635/63714
ISSN: 09280987
DOI: 10.1016/j.ejps.2010.10.004
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