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Selection of characteristic spectral bands for the analysis by the NIR correlation coefficient method 被引量:4

近红外特征谱段相关系数法中特征谱段选择方法的探讨(英文)
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摘要 We analyzed the infrared 0R)-near infrared (NIR) 2D correlation spectra of drugs perturbed by temperature. By identification of functional groups by IR spectrum and by the correlation analysis of IR-NIR spectrum, we identified the characteristic spectral bands that were closely related to the structure of a drug substance of interest. These characteristic spectral bands were relatively less interfered by other ingredients for analysis by the NIR correlation coefficient method. With these characteristic spectral bands, the accuracy of screening illegally added Sildenafil citrate, Tadalafil and Metforrnin hydrochloride in Chinese patent drugs and healthcare products reached about 90%, which met the requirements of rapid screening. 借鉴广义二维相关光谱法,以温度为扰动进行待测化合物的中红外-近红外(IR-NIR)二维相关谱分析,利用IR光谱峰归属明确的特点,通过IR-NIR光谱的相关分析,确定NIR光谱中与待测化合物结构关联密切并受干扰程度较小的典型特征波数区域作为NIR特征谱段相关系数法中的特征谱段。据此快速建立的筛查中成药/保健品中非法添加枸橼酸西地那非、他达拉非和盐酸二甲双胍的NIR特征谱段相关系数法的准确性均在90%左右,可以满足现场快速筛查的需要。
出处 《Journal of Chinese Pharmaceutical Sciences》 CAS 2011年第1期83-91,共9页 中国药学(英文版)
基金 National Key Technology R & D Program-On-site Rapid Identification of Drug Research Project (Grant No. 2008BAI55B06)
关键词 Two-dimensional correlation spectroscopy NIR Correlation coefficient method by characteristic spectral bands Chinese patent drug Illegal additive 二维相关光谱 近红外光谱 特征谱段相关系数法 中药 非法添加
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