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Evaluation of diffuse reflectance near infrared fibre optical sensors in measurements for chemical identification and quantification for binary granule blends

机译:在二元颗粒混合物化学识别和定量测量中评估近红外光纤传感器的漫反射率

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摘要

In recent years, the pharmaceutical industry has focused on a better understanding of the real-time manufacturing process with online measurements. Near infrared (NIR) spectroscopy is perhaps the most used and acceptable technique in such a highly regulated industry. However, one of the big challenges in using NIR systems for in-line manufacturing processes is the acquisition of measurements in real-time simultaneously at different locations. To this end, a series of different optical set-ups were investigated. Results are presented here using a multipoint NIR system based on a Fabry-Perot Interferometer capable of recording simultaneously four independent spectra in four different points. NIR spectra of cellulose and sucrose granule mixtures were evaluated by the partial least-squares (PLS) regression method. By interpreting score values, loading of the principal components and the root mean square errors of cross-validation (RMSECV), differences between two sensors composed of fibre optics and the effect of sampling (static or motion) were analysed. Sensors that allow large illumination and detection areas against small granule sizes showed better results in reducing the prediction errors (RMSECV= 1.8%) than sensors with small illumination and detection areas against samples with large granule sizes (RMSECV= 9.6%). These results are important to better understand errors associated with optic fibre probes and their configuration in multipoint NIR spectroscopy for monitoring the pharmaceutical manufacturing process.
机译:近年来,制药行业致力于通过在线测量更好地了解实时制造过程。在这种高度管制的行业中,近红外(NIR)光谱也许是最常用和可接受的技术。但是,将NIR系统用于在线制造过程的最大挑战之一是在不同位置同时实时获取测量值。为此,研究了一系列不同的光学装置。这里使用基于法布里-珀罗干涉仪的多点近红外系统呈现结果,该系统能够同时记录四个不同点中的四个独立光谱。通过偏最小二乘(PLS)回归方法评估纤维素和蔗糖颗粒混合物的近红外光谱。通过解释得分值,主要成分的负载和交叉验证的均方根误差(RMSECV),分析了由光纤组成的两个传感器之间的差异以及采样的效果(静态或动态)。相对于较小颗粒的样品,允许较大照明和检测区域的传感器在减小预测误差(RMSECV = 1.8%)方面显示出更好的结果,对较大颗粒的样品(RMSECV = 9.6%)的传感器具有较小的预测误差。这些结果对于更好地了解与光纤探针相关的错误及其在多点近红外光谱中的配置(用于监控制药过程)具有重要意义。

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