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首页> 外文期刊>The Analyst: The Analytical Journal of the Royal Society of Chemistry: A Monthly International Publication Dealing with All Branches of Analytical Chemistry >Determination of indomethacin polymorphic contents by chemometric near-infrared spectroscopy and conventional powder X-ray diffractometry
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Determination of indomethacin polymorphic contents by chemometric near-infrared spectroscopy and conventional powder X-ray diffractometry

机译：化学计量近红外光谱和常规粉末X射线衍射法测定消炎痛的多晶型含量

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摘要

A chemoinfometric method for the quantitative determination of the crystal content of indomethacin (IMC) polymorphs, based on Fourier-transform near-infrared (FT-NIR) spectroscopy, was established. A direct comparison of the data with those collected using the conventional powder X-ray diffraction method was performed. Pure #alpha# and #gamma# forms of IMC were prepared using published methods. Powder x-ray diffraction profiles and NIR spectra were recorded for six kinds of standard material with various contents of the #gamma# form of IMC. Principal component regression (PCR) analyses were performed on the basis of the normalized NIR spectral sets of standard samples with known contents of the #gamma# form of IMC. A calibration equation was determined to minimize the root mean square error of the prediction. The predicted #gamma# form contents were reproductible and had a relatively small standard deviation. The values of the #gamma# from contents predicted by the two methods were in close agreement. The results indicated that NIR spectroscopy provides an accurate quantitative analysis of crystallinity in polymorphs compared with the results obtaine dby conventional powder X-ray diffractometry.
机译：建立了一种基于傅立叶变换近红外（FT-NIR）光谱法测定吲哚美辛（IMC）多晶型物晶体含量的化学计量方法。将数据与使用常规粉末X射线衍射法收集的数据进行直接比较。使用公开的方法制备IMC的纯＃alpha＃和＃gamma＃形式。记录了六种标准物质的粉末X射线衍射曲线和NIR光谱，这些标准物质具有IMC的＃gamma＃形式的各种含量。基于具有IMC＃gamma＃形式含量的标准样品的归一化NIR光谱集进行主成分回归（PCR）分析。确定一个校准方程可以使预测的均方根误差最小。预测的＃gamma＃形式含量可复制，并且标准偏差较小。由两种方法预测的内容得出的＃gamma＃值非常一致。结果表明，与常规粉末X射线衍射法获得的结果相比，NIR光谱学提供了多晶型物结晶度的准确定量分析。

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