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HPLC-ELSD结合化学计量学研究银杏叶片中萜类内酯指纹图谱 被引量:8
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作者 吴雨龙 李艳静 +4 位作者 王佩香 丁岗 李萍 段金廒 萧伟 《世界科学技术-中医药现代化》 北大核心 2013年第9期1952-1958,共7页
目的:建立不同厂家银杏叶片中萜类内酯成分HPLC-ELSD指纹图谱。方法:色谱柱为Agilent Extend-C18(4.6 mm×250 mm,5μm),流动相为正丙醇-四氢呋喃-水(1∶15∶84),柱温为30℃,流速为1mL·min-1,蒸发光散射检测器检测;采用LC/Q-TO... 目的:建立不同厂家银杏叶片中萜类内酯成分HPLC-ELSD指纹图谱。方法:色谱柱为Agilent Extend-C18(4.6 mm×250 mm,5μm),流动相为正丙醇-四氢呋喃-水(1∶15∶84),柱温为30℃,流速为1mL·min-1,蒸发光散射检测器检测;采用LC/Q-TOF MS对指纹图谱中的共有峰进行指认。并利用化学计量学方法,包括主成分分析(PCA)、相似度分析(SA)、聚类分析(HCA),对色谱数据进行分析。结果:该方法精密度、稳定性、重复性良好。同时采用LC/Q-TOF MS方法指认了5个共有峰,分别为银杏内酯J(M)、银杏内酯C、银杏内酯A、银杏内酯B及白果内酯。并采用该方法测定了市售14批银杏叶片,结合PCA、SA及HCA生成了银杏叶片中萜类内酯对照指纹图谱,并根据质量差异将样品分为4大类。结论:本方法可用于银杏叶片中萜类内酯成分的质量评价。 展开更多
关键词 银杏叶片 萜类内酯HPLC-ELSD 指纹图谱化学计量学 质量评价
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Chemometrics-aided Metabolic Fingerprint Method Applied in Bladder Cancer Stages Differentiating
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作者 You QIN Lin CHEN +2 位作者 Jian-Hu HUANG Shui-Han ZHANG Zuo-Wei XIAO 《Digital Chinese Medicine》 2018年第3期211-218,共8页
Objective To establish early detection and diagnosis for bladder cancer.Methods In the current study,a metabolomics strategy was used to profile bladder cancer urine metabolites in mice and to further characterize the... Objective To establish early detection and diagnosis for bladder cancer.Methods In the current study,a metabolomics strategy was used to profile bladder cancer urine metabolites in mice and to further characterize the disease status at different stages.In addition,some chemometrics algorithms were adopted to analyze the metabolites fingerprints,including baseline removal and retention time shift,to overcome variations in the experimental process.After processing,metabolites were qualitatively and quantitatively analyzed in each sample at different stages.Finally,a random forest algorithm was used to discriminate the differences among different groups.Results Four potential biomarkers,including glyceric acid,(R*,R*)-2,3-Dihydroxybutanoic acid,N-(1-oxohexyl)-glycine and D-Turanose,were discovered by exploring the characteristics of different groups.Conclusion These results suggest that combining chemometrics with the metabolites profile is an effective approach to aid in clinical diagnosis. 展开更多
关键词 Metabolic fingerprints Chemometrics approaches Data analysis Bladder cancer
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几种模式识别方法用于中药挥发油红外光谱法鉴别的比较研究 被引量:5
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作者 邱新华 唐铁鑫 +4 位作者 刘燕 吴美珠 谭雄斯 甘柯林 姚伟生 《中国药房》 CAS 北大核心 2015年第21期2986-2988,共3页
目的:比较几种模式识别方法在中药挥发油红外光谱法鉴别中的分类效果。方法:对多种忍冬属和柑橘属中药的挥发油进行红外光谱测定,应用系统聚类、K-均值聚类、人工神经网络、支持向量机方法对样品红外光谱进行分类。结果:系统聚类与K-均... 目的:比较几种模式识别方法在中药挥发油红外光谱法鉴别中的分类效果。方法:对多种忍冬属和柑橘属中药的挥发油进行红外光谱测定,应用系统聚类、K-均值聚类、人工神经网络、支持向量机方法对样品红外光谱进行分类。结果:系统聚类与K-均值聚类分类效果不佳,人工神经网络和支持向量机方法均取得100%分类正确率。结论:可以将人工神经网络和支持向量机模式识别方法与红外光谱法结合,构建化学计量学指纹图谱技术,用于中药挥发油的鉴别。 展开更多
关键词 中药 挥发油 红外光 模式识别 化学计量学指纹图技术
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Fingerprint analysis of Ophiopogonis Radix by HPLC-UV-ELSD coupled with chemometrics methods 被引量:6
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作者 李宁 车彦云 +4 位作者 张梁 张加余 周渊 姜勇 屠鹏飞 《Journal of Chinese Pharmaceutical Sciences》 CAS CSCD 2013年第1期55-63,共9页
A new, simple and reliable method using HPLC-UV-ELSD was developed to generate the fingerprint of Ophiopogonis Radix. Homoisoflavonoids and steroidal saponins were determined simultaneously in a single run. A total of... A new, simple and reliable method using HPLC-UV-ELSD was developed to generate the fingerprint of Ophiopogonis Radix. Homoisoflavonoids and steroidal saponins were determined simultaneously in a single run. A total of 27 Ophiopogonis Radix samples were analyzed, and 18 reference substances were used for the identification of the common peaks. The fingerprint was further analyzed by chemometrics methods including similarity analysis (SA), hierarchical clustering analysis (HCA) and principal component analysis (PCA). The results indicated that the combination of chromatographic fingerprint and chemometrics analysis could be used for the geographical differentiation and quality evaluation of Ophiopognnis Radix. 展开更多
关键词 Ophiopogonis Radix Ophiopogonjaponicus HPLC-UV-ELSD FINGERPRINT CHEMOMETRICS Quality evaluation
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