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Assessment of the solid-state composition of an active salicylanilide compound by FT-Raman spectroscopy.

机译:通过FT-拉曼光谱法评估活性水杨酰苯胺化合物的固态组成。

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摘要

A biologically active salicylanilide compound currently appears in three known solid-state forms: polymorph I (Pol I), polymorph II (Pol II) and the amorphous form (Amorph). The obtained FT-Raman spectra revealed several regions of interest (ROIs) qualitatively distinguishing the different forms, allowing samples with an unknown polymorphic composition to be quantitatively analysed by FT-Raman spectroscopy. The Markov-transformed peak areas of the Raman-bands in the ROIs from the samples were determined and compared with the transformed peak areas obtained for the reference solid-state forms. A constrainted linear regression model estimated the contribution of each reference to the different samples. The applicability of this approach was demonstrated by analysing commercially available batches.
机译:目前具有生物活性的水杨酰苯胺化合物以三种已知的固态形式出现:多晶型物I(Pol I),多晶型物II(Pol II)和无定形形式(Amorph)。所获得的FT拉曼光谱揭示了定性区分不同形式的几个目标区域(ROI),从而允许通过FT拉曼光谱对具有未知多晶型成分的样品进行定量分析。确定了样品中ROI中拉曼谱带的马尔可夫变换峰面积,并将其与参考固态形式获得的变换峰面积进行比较。约束线性回归模型估计每个参考对不同样本的贡献。通过分析市售批次证明了该方法的适用性。

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