Nondestructive Spatial Dehydration Analysis of Crystalline Hydrates in Pharmaceutical Solid Dosage Forms Using Spatially Offset Low-Frequency Raman Spectroscopy,Crystal Growth & Design

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Nondestructive Spatial Dehydration Analysis of Crystalline Hydrates in Pharmaceutical Solid Dosage Forms Using Spatially Offset Low-Frequency Raman Spectroscopy
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2022-04-04 , DOI: 10.1021/acs.cgd.1c01401
Ka̅rlis Be̅rziņš ₁ , Peter III J. G. Remoto ₁ , Sara J. Fraser-Miller ₁ , Keith C. Gordon ₁

Affiliation

Surface-driven isothermal dehydration of model tablets containing citric acid monohydrate was investigated using spatially offset low-frequency Raman spectroscopy (SOLFRS). Experiments were carried out under different isothermal conditions (50 to 65 °C), and dehydration kinetics were monitored ex situ by sampling the tablets at different time points. Better SOLFRS data interpretation was facilitated by the use of multivariate curve resolution and complementary Raman microscopy analysis of tablet cross sections that enabled access to detailed information on spatial dehydration characteristics within the tablets. Additionally, theoretical characterization of Raman-active low-energy (phonon) modes of citric acid solid-state forms was carried out using periodic boundary density functional theory.

中文翻译：

使用空间偏移低频拉曼光谱法对药物固体剂型中的结晶水合物进行无损空间脱水分析

使用空间偏移低频拉曼光谱 (SOLFRS) 研究了含有柠檬酸一水合物的模型片剂的表面驱动等温脱水。在不同的等温条件（50 至 65 °C）下进行了实验，并通过在不同时间点对片剂进行采样来监测脱水动力学。通过使用多变量曲线分辨率和片剂横截面的互补拉曼显微镜分析，能够获得片剂空间脱水特性的详细信息，有助于更好地解释 SOLFRS 数据。此外，使用周期性边界密度泛函理论对柠檬酸固态形式的拉曼活性低能（声子）模式进行了理论表征。

更新日期：2022-04-04

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