中国中药杂志

2016, v.41(19) 3528-3536

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常见矿物药近红外漫反射光谱特征归纳与分析
Induction and analysis for NIR features of frequently-used mineral traditional Chinese medicines

陈龙;袁明洋;陈科力;
CHEN Long;YUAN Ming-yang;CHEN Ke-li;Key Laboratory of National Education Ministry on Traditional Chinese Medicine Resource and Compound Prescription,Hubei University of Chinese Medicine;Wuhan Hospital of Traditional Chinese Medicine & Wuhan Research Institute of Traditional Chinese Medicine;

摘要(Abstract):

结合前期研究工作,对51种不同阴离子类型的常见矿物药的近红外漫反射光谱(near infrared diffuse reflectance spectrometry,NIR)特征谱段进行归纳和解析,并参考矿物学和地质学文献,确定矿物类中药NIR特征谱段的归属,为其NIR快速鉴别提供理论依据。结果表明,矿物药的NIR特征主要在8 000~4 000 cm-1,归属于矿物药中所含的水、羟基(-OH)及碳酸根[CO2-3]等基团。水峰具有一定的规律性:一般结构水与-OH基团在7 000 cm-1附近有组合峰,尖锐而强,结晶水在7 000,5 100 cm-1附近有2个强峰,吸附水只在5 100 cm-1附近有宽峰。不同类型矿物药中水的存在形式不同,含量不同,水峰特征不同,据此可用于矿物药的鉴别。硫酸盐类矿物药多含结晶水,硅酸盐类多含结构水,而碳酸盐类中以吸附水为主,因此,以阴离子类型对矿物药进行分类在NIR分析中具有合理性。此外,由于某些矿物药所含的阳离子类型、杂质种类以及结晶性和晶型存在差异,在4 600~4 000 cm-1谱段存在专属性的NIR特征,主要可归属于Al-OH,Mg-OH,Fe-OH,Si-OH,[CO2-3]等基团的特征吸收。煅制过的矿物药常伴随水分和主要成分的改变,其NIR特征亦发生变化,可用于其炮制过程的监测。该文对NIR技术在矿物药分析中的适用性和局限性进行讨论:绝大部分矿物药具有明显的NIR特征谱段,可用NIR作为系统分析的主要方法,少数矿物药的NIR特征峰不明显,如紫石英、朱砂、雄黄等,可尝试应用拉曼光谱进行补充。这将为矿物药质量控制提供参考。
In order to provide theoretical basis for the rapid identification of mineral traditional Chinese medicines( TCM) with near infrared( NIR) diffuse reflectance spectroscopy,Characteristic NIR spectra of 51 kinds of mineral TCMs were generalized and compared on the basis of the previous research,and the characteristic spectral bands were determined and analyzed by referring to mineralogical and geological literatures. It turned out that the NIR features of mineral TCMs were mainly at 8 000-4 000 cm-1wavebands,which can be assigned as the absorption of water,-OH and [CO2-3]and so on. Absorption peaks of water has regularity as follows,the structure water and-OH had a combined peak which was strong and keen-edged around 7 000 cm-1,the crystal water had two strong peak around 7 000 cm-1and 5 100 cm-1,and water only has a broad peak around 5 100 cm-1. Due to the differences in the crystal form and the contents of water in mineral TCMs,NIR features of water in mineral TCMs which could be used for identification were different. Mineral TCMs containing sulfate are rich in crystal water,mineral TCMs containing silicate generally had structure water,and mineral TCMs containing carbonate merely had a little of water,so it was reasonable for the use of NIR spectroscopy to classify mineral TCMs with anionic type. In addition,because of the differences in cationic type,impurities,crystal form and crystallinity,mineral TCMs have exclusive NIR features at 4 600-4 000 cm-1,which can be assigned as Al-OH,Mg-OH,Fe-OH,Si-OH,[CO2-3]and so on.Calcined mineral TCMs are often associated with water and main composition changes,also changes of the NIR features,which could be used for the monitoring of the processing,and to provide references for the quality control of mineral TCMs. The adaptability and limitation of NIR analysis for mineral TCMs were also discussed: the majority of mineral TCMs had noteworthy NIR features which could be used for the NIR analysis. And the NIR features of a few mineral TCMs were inapparent,such as Fluoritum,Realgar and Cinnabar,for which the Raman spectroscopy can be adopted alternatively.

关键词(KeyWords): 近红外漫反射光谱;矿物药;特征谱段;快速鉴别
NIR;mineral traditional Chinese medicines;characteristic spectral bands;rapid identification

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基金项目(Foundation): 国家“重大新药创制”科技重大专项(2014ZX09304307001);; 武汉市2012年高新技术产业发展行动计划生物技术与新医药专项(201260523193)

作者(Author): 陈龙;袁明洋;陈科力;
CHEN Long;YUAN Ming-yang;CHEN Ke-li;Key Laboratory of National Education Ministry on Traditional Chinese Medicine Resource and Compound Prescription,Hubei University of Chinese Medicine;Wuhan Hospital of Traditional Chinese Medicine & Wuhan Research Institute of Traditional Chinese Medicine;

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