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Revealing Kinetics of Paracetamol Crystallization Using Time-Resolved Raman Spectroscopy, Orthogonal Time-Lapse Photography, and Non-Negative Matrix Factorization (OSANO)

  • Crystallization is a complex phenomenon with far-reaching implications for the production and formulation of active pharmaceutical ingredients. Understanding this process is critical for achieving control over key physicochemical properties that can affect, for example, the bioavailability and stability of a drug. In this study, we were able to reveal intricate and diverse dynamics of the formation of metastable intermediates of paracetamol crystallization varying with the choice of solvent. We demonstrate the efficacy of our novel approach utilizing an objective function-based non-negative matrix factorization technique for the analysis of time-resolved Raman spectroscopy data, in conjunction with time-lapse photography. Furthermore, we emphasize the crucial importance of integrating Raman spectroscopy with supplementary experimental instrumentation for the mathematical analysis of the obtained spectra.

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Metadaten
Author:Surahit ChewleORCiD, Marcus Weber, Franziska Emmerling
Document Type:Article
Parent Title (English):Crystal Growth & Design
Volume:23
Issue:9
First Page:6737
Last Page:6746
Publisher:American Chemical Society
Publishing Institution:Zuse Institute Berlin (ZIB)
Date of first Publication:2023/09/06
DOI:https://doi.org/10.1021/acs.cgd.3c00617
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