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化学计量学用于建立和解析苍术药材的二维指纹图谱

Application of chemometrics to establish and resolve two-way fingerprint of Chinese medicine atractylis chinensis DC

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【作者】 彭韵燕倪永年

【Author】 PENG Yun-yan NI Yong-nian~* (Department of Chemistry,Nanchang University,Nanchang 330047)

【机构】 南昌大学化学系

【摘要】 本文首次将高效液相色谱数据和原子发射光谱数据结合起来研究中药材,实现了两种不同仪器数据的有效结合,并将其应用于中药的二维指纹图谱的构建。方法是采用高效液相色谱-二极管阵列检测器获得51个苍术药材的色谱指纹图谱,并结合电感耦合等离子体-原子发射光谱获得的金属元素信息构建中药苍术的二维指纹图谱。对构建的二维数据进行主成分投影(PCA),并将其结果与单独的色谱数据主成分投影结果和原子发射光谱数据主成分投影结果进行比较,发现色谱数据主成分投影能用来解释苍术药材的炮制方法方面的信息,金属数据主成分投影结果能用来解释苍术药材的产地来源方面的信息,而在二维数据主成分投影图上,51个样品在按炮制方法分为四大类的基础上,还能从每个大类里按产地分出小类,也就是说,它继承了色谱主成分投影图和金属主成分投影图的有用信息。结果表明,本文提出的方法用于建立和解析苍术药材的二雏指纹图谱,能成功的对不同的苍术样品按一定的目的进行正确的分类,从而能有效地控制中药苍术的质量,同时为其它中药的化学模式识别提供了参考。

【Abstract】 In this paper,chinese medicine is studied by use of the combined data derived from high-performance liquid chromatography (HPLC)and inductively coupled plasma-optical emission spectrometry (ICP-OES)to establish two-way fingerprint for the first time.The combination of chromatographic fingerprints of 51 atraetylis chinensis DC. (ACDC)samples obtained by HPLC-diode army detector (DAD)and metal information obtained by ICP-OES was used to establish two-way fingerprint of ACDC.Principal component analysis (PCA)was employed to resolve the established two-way data,in comparison with the PCA results of chromatographic data,which could be used to explain the processed methods of ACDC,and the PCA results of metal data,which could be used to explain the origins of ACDC,the two-way data after PCA included much more information.From the principal component projection plot of two-way data,51 ACDC samples,which were divided into four main classes based on processed methods,could be classified into smaller classes based on origins sequentially.The proposed method could be successfully applied to classify the ACDC samples into different groups that correlated to some properties of ACDC,and it could be used for the quality control of ACDC effectively.Meanwhile,a reference method was provided for chemical pattern recognition of other traditional chinese medicine.

  • 【会议录名称】 中国化学会第十四届有机分析及生物分析学术研讨会会议论文摘要集
  • 【会议名称】中国化学会第十四届有机分析及生物分析学术研讨会
  • 【会议时间】2007-10
  • 【会议地点】中国湖北武汉
  • 【分类号】R284
  • 【主办单位】中国化学会有机分析专业委员会、国家自然科学基金委
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