Near infrared chemical imaging (NIR-CI) combines conventional near infrared (NIR) spectroscopy with chemical imaging, thus provides spectral and spatial information simultaneously. It could be utilized to visualize the spatial distribution of the ingredients in a sample. The data acquired using NIR-CI instrument are hyperspectral data cube (hypercube) containing thousands of spectra. Chemometric methodologies are necessary to transform spectral information into chemical information. Partial least squares (PLS) method was performed to extract chemical information of chlorpheniramine maleate in pharmaceutical formulations. A series of samples which consisted of different CPM concentrations (w/w) were compressed and hypercube data were measured. The spectra extracted from the hypercube were used to establish the PLS model of CPM. The results of the model were R²_val0.981, RMSEC 0.384%, RMSECV 0.483%, RMSEP 0.631%, indicating that this model was reliable.

The present study aimed at investigating the relationship between tablet hardness and homogeneity of different Yinhuang dispersible tablets by near-infrared chemical imaging (NIR-CI) technology. The regularity of best hardness was founded between tablet hardness and the spatial distribution uniformity of Yinhuang dispersible tablets. The ingredients homogeneity of Yinhuang dispersible tablets could be spatially determined using basic analysis of correlation between analysis (BACRA) method and binary image. Then different hardnesses of Yinhuang dispersible tablets were measured. Finally, the regularity between tablet hardness and the spatial distribution uniformity of Yinhuang dispersible tablets was illuminated by quantifying the agglomerate of polyvinyl poly pyrrolidone (PVPP). The result demonstrated that the distribution of PVPP was unstable when the hardness was too large or too small, while the agglomerate of PVPP was smaller and more stable when the best tablet hardness was 75 N. This paper provided a novel methodology for selecting the best hardness in the tabletting process of Chinese Medicine Tablet.

研究药物领域中近红外成像检测参数对高光谱数据质量的影响, 建立检测参数优化方法。 以扑尔敏片剂为研究对象, 采用近红外化学成像技术, 考察光谱分辨率、 空间分辨率、 扫描次数和扫描高度等因素, 采用L9 (34) 正交表设计, 优化近红外成像检测参数; 采用二值化图像法和像元统计法对高光谱数据进行定量分析, 测定扑尔敏片剂表面马来酸氯苯那敏含量。 以高效液相色谱法作为参考方法, 精密测定片剂中马来酸氯苯那敏含量。 两种方法测定的含量差值绝对值为考察指标, 优化最佳检测条件。 结果表明, 扑尔敏片剂的高光谱数据最佳检测条件: 空间分辨率25 μm×25 μm, 扫描高度-5340(Z值, 精确聚焦), 光谱分辨率16 cm-1, 扫描次数16次。 该研究首次优化近红外成像扫描高度参数对高光谱数据质量的影响, 优化近红外成像扫描高度等检测参数可用于指导扑尔敏片及其他药物近红外成像数据采集和方法建立。