A Novel Online Process Monitoring Method Based on Near Infrared Spectroscopy and Its Application to the Column Chromatographic Separation for Traditional Chinese Medicine
YANG Hui-hua1, GUO Tuo2, MA Jin-fang3, TANG Tian-biao2, LIANG Qiong-lin4, WANG Yi-ming4, LUO Guo-an4
1. School of Electric Engineering and Automation, Guilin University of Electronic Technology, Guilin 541004, China 2. School of Computer Science and Engineering, Guilin University of Electronic Technology, Guilin 541004, China 3. Pharmacy College, Jiangxi University of Traditional Chinese Medicine, Nanchang 330004, China 4. Analysis Center, Tsinghua University, Beijing 100084, China
Abstract：Near infrared spectroscopy(NIRS) is a process analysis and monitoring tool with many advantages, while it needs to set up quantitative or discriminative calibration models in advance, and needs to adjust these models when the process conditions are varied, which makes it difficult for ordinary user to take its full advantage of it. To tackle this problem, this paper presented a novel, simple and model-free methodology for online process monitoring based on two reciprocal viewpoints of measuring the variability of spectroscopy-both the similarity and dissimilarity of process spectrum, i.e., the adaptive moving window standard deviation function(AMWSW) and similarity function(S). The methodology was validated by a column chromatography process of traditional Chinese medicine using near infrared spectroscopy. The online trend curves of AMWSW and S obtained by proposed method were validated by a comparison with the content variation curves of multiple indicative components analyzed by high performance liquid chromatography (HPLC), and these trend curves demonstrated their potential for real-time process status monitoring, accurately determining the beginning point, the peak point, the end point of the elution, and the phase change from water solution to ethanol solution. The proposed methodology can also be used to other process analysis techniques, such as ultraviolet/visible, infrared, Raman, fluorescence, chromatograph and mass spectrum.
Key words：Near infrared spectroscopy;Online process monitoring;Adaptive moving window standard deviation;Process spectroscopy similarity function;Column chromatography
杨辉华1, 郭 拓2, 马晋芳3, 唐天彪2, 梁琼麟4, 王义明4, 罗国安4 . 一种近红外光谱在线监测新方法及其在中药柱层析过程中的应用 [J]. 光谱学与光谱分析, 2012, 32(05): 1247-1250.
YANG Hui-hua1, GUO Tuo2, MA Jin-fang3, TANG Tian-biao2, LIANG Qiong-lin4, WANG Yi-ming4, LUO Guo-an4 . A Novel Online Process Monitoring Method Based on Near Infrared Spectroscopy and Its Application to the Column Chromatographic Separation for Traditional Chinese Medicine. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2012, 32(05): 1247-1250.
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