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基于质谱图特征峰匹配的谱库预检索算法 被引量:1
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作者 黄嵩 俞建成 +1 位作者 张俊良 朱强 《真空科学与技术学报》 EI CAS CSCD 北大核心 2018年第4期302-305,共4页
针对目前谱库预检索精度较低且剩余参考谱图依然较多的问题,提出了一种基于质谱图特征峰匹配的谱库预检索算法。将谱图中峰强度最高和质荷比最大的谱峰作为谱图特征峰,然后依次预检索了每个查询谱图和所有参考谱图对应的特征峰。结果表... 针对目前谱库预检索精度较低且剩余参考谱图依然较多的问题,提出了一种基于质谱图特征峰匹配的谱库预检索算法。将谱图中峰强度最高和质荷比最大的谱峰作为谱图特征峰,然后依次预检索了每个查询谱图和所有参考谱图对应的特征峰。结果表明,与相似度阈值分别为0.6、0.7和0.8的基于向量空间模型的谱库预检索算法相比,精度分别提高了15.01%、19.58%和25.87%,与二级谱库预检索算法相比,精度提高了1.77%,且该算法均能减少剩余参考谱图的数量,具有一定的优势。 展开更多
关键词 库检索 谱图特征峰 精度 剩余
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X-ray Comparative Analysis of Rhubarb in Different Production Areas of Qinghai 被引量:1
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作者 王宁芳 拉本 《Agricultural Science & Technology》 CAS 2009年第6期119-120,124,共3页
[Objective] The aim of this study was to provide a basis for distinguishing quality of rhubarb in different production areas. [Method ] X-ray diffraction patterns of rhubarbs in different production areas of Qinghai w... [Objective] The aim of this study was to provide a basis for distinguishing quality of rhubarb in different production areas. [Method ] X-ray diffraction patterns of rhubarbs in different production areas of Qinghai were obtained by X-ray diffraction analysis, and then its similarity analysis was also investigated. [ Result] The content of chemical components in rhubarbs from different production areas had differences, but its diffraction patterns and diffraction peaks had certain fingerprint characteristics. [ Conclusion] X-ray diffraction method is a fast and effective method for identifying rhubarb and other Chinese herbal medicines in different production areas. 展开更多
关键词 RHUBARB X-RAY Diffraction map Diffraction peak Fingerprint characteristics
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Chemical fingerprinting of Su-He-Xiang-Wan and attribution of major characteristic peaks for its quality control by GC-MS 被引量:1
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作者 WANG Wei-ping LIN Juan +2 位作者 ZHANG Liang-xiao ZHANG Ming-yue LIANG Yi-zeng 《Journal of Central South University》 SCIE EI CAS 2013年第8期2115-2123,共9页
A simple and facile gas chromatography-mass spectrometer (GC-MS) fingerprint of Su-He-Xiang-Wan (SHXW) was developed, the similarity analysis was conducted, and attribution of the major characteristic peaks was id... A simple and facile gas chromatography-mass spectrometer (GC-MS) fingerprint of Su-He-Xiang-Wan (SHXW) was developed, the similarity analysis was conducted, and attribution of the major characteristic peaks was identified for SHXW quality control. GC-MS analysis was performed on a QP2010 instrument (Shimadzu, Japan) equipped with a capillary column of RTX-5MS. The column temperature was initiated at 50℃, held for 5 min, increased at the rate of 3 ℃/min to 120 ℃, held for 2 min, and then increased at the rate of 4 ℃/min to 220℃, held for 10 min. Helium carrier gas was used at a constant flow rate of 1.3 mL/min. Mass conditions were ionization voltage, 70 eV; injector temperature, 250℃; ion source temperature, 250 ℃; splitting ratio, 30:1; full scan mode in the 40-500 Da mass ranges with rate of 0.2 s per scan. Attribution of the major characteristic peaks was identified for SHXW by comparing the chemical standards, references of Chinese herbal medicines and the negative controls of prescription samples (NC) of SHXW. With the help of the temperature-programmed retention indices (PTRIs) used together with mass spectra and chemical standards, 25 major characteristic peaks have been identified. Nine volatile medicinal materials were identified in the prescription of SHXW by attributing to the 27 major characteristic peaks. The results demonstrate that the proposed method is a powerful approach to quality control of complex herbal medicines. 展开更多
关键词 chromatographic fingerprint attribution analysis quality control herbal medicines complex prescription
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