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灵芝指纹图谱的建立及模式识别
引用本文:张顺玮,王志军,朱仲良.灵芝指纹图谱的建立及模式识别[J].计算机与应用化学,2008,25(3).
作者姓名:张顺玮  王志军  朱仲良
作者单位:同济大学化学系,上海,200092
摘    要:以22个不同产地不同品种灵芝样本的红外光谱图为基础,建立了灵芝FTIR指纹图谱,共分为6个区,并标示出了指纹区,各灵芝样本图谱(除灵芝孢子粉)和灵芝FTIR指纹图谱的相似度均在90%以上.通过三甲基硅烷(TMS)衍生化反应,对各灵芝样品进行GC-MS测定,建立了灵芝TMS衍生物指纹图谱,共标示出19个特征峰(糖区含12个特征峰).应用化学计量学方法中的PCA投影法对GC-MS积分数据作PCA投影可以将22个灵芝样本分为海南产地和北方产地两大类.应用欧式距离聚类分析法对FTIR光谱数据及GC-MS积分数据进行欧式距离计算,22个灵芝样本分别被聚为10个和9个分类区,均达到了聚类的效果,同时又均表现出共属"灵芝"一类的本质.

关 键 词:指纹图谱  灵芝  PCA投影  欧氏距离聚类分析

The fingerprint methods and pattern recognition of ganoderma lucidum
Zhang Shunwei,Wang Zhijun,Zhu Zhongliang.The fingerprint methods and pattern recognition of ganoderma lucidum[J].Computers and Applied Chemistry,2008,25(3).
Authors:Zhang Shunwei  Wang Zhijun  Zhu Zhongliang
Abstract:This work took the actual traditional Chinese medicine system(ganoderma lucidum)as the object,using modem analysis instrument and approaches,Fourier Transform Infrared Spectroscopy(FTIR)and Gas Chromatography-Mass Spectrometry(GC-MS), to research the ganoderma lucidum fingerprint.Based on the infrared spectrogram of the 22 varietal ganoderma lucidum from different producing areas,ganoderma lucidum FTIR fingerprint(divided into six areas)was established,including the finger-area.The trimeth- yl derivation of ganoderma lucidum(TMS)GC-MS fingerprint was also established,19 characteristic peaks were indicated.And PCA projection and O'distance Clustering Procedure analysis were applied to the different spectra/chromatography data.Using the chemistry pattern recognition to the quality control of traditional Chinese medicine,has obtained good effect.
Keywords:fingerprint  ganoderma lucidum  PCA projection  O'distance Clustering Procedure analysis
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