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题名: Prediction of retention times and peak shape parameters of unknown compounds in traditional Chinese medicine under gradient conditions by ultra performance liquid chromatography
作者: Jin, Gaowa1;  Xue, Xingya1;  Zhang, Feifang1;  Zhang, Xiuli1;  Xu, Qing1;  Jin, Yu1;  Liang, Xinmiao1
通讯作者: 梁鑫淼
关键词: Prediction ;  Retention time ;  Peak shape parameter ;  Peak recognition ;  Traditional Chinese medicine ;  Ultra performance liquid chromatography
刊名: ANALYTICA CHIMICA ACTA
发表日期: 2008-10-17
DOI: 10.1016/j.aca.2008.08.044
卷: 628, 期:1, 页:95-103
收录类别: SCI
文章类型: Article
部门归属: 18
项目归属: 1803
产权排名: 1;1
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Analytical
研究领域[WOS]: Chemistry
英文摘要: A method for the prediction of retention times and peak shape parameters of compounds of unknown structures in complex sample under linear gradient mobile phase conditions was established. Taking traditional Chinese medicine (TCM)-Rhizoma Corydalis as an example, the chromatographic retention parameters and peak shape parameters of 24 compounds were studied. After recognition of each peak under five different linear gradient conditions, the binary parameters equation was established to calculate the retention parameters on ultra performance liquid chromatography (UPLC) with 2.1 mm i.d. column packed with 1.7 mu m particles. And further retention times under other binary gradient conditions were predicted. The largest relative error of predicted retention time for each compound in R. Corydalis was 0.75%. The exponentially modified Gaussian (EMG) model and automatic peak curve-fitting method were used to resolve the overlapping peaks, to calculate the peak shape parameters and to obtain the peak shape rules. The peak shape parameters sigma, tau and W(h/2) possessed the linear relationship with the equivalent retention time t(R)(*). Based on peak shape rules, peak shape parameters under other mobile phase conditions were predicted. The predicted peak shape parameters were coincident with the experimental results. (C) 2008 Elsevier B.V All rights reserved.
关键词[WOS]: RESTRICTED MULTIPARAMETER APPROACH ;  FLIGHT MASS-SPECTROMETRY ;  MODIFIED GAUSSIAN MODEL ;  COMPUTER-SIMULATION ;  PRIORITY PESTICIDES ;  GAS-CHROMATOGRAPHY ;  SOLVENT-STRENGTH ;  OPTIMIZATION ;  THROUGHPUT ;  ELUTION
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000261760700012
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/101371
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian 116023, Peoples R China

Recommended Citation:
Jin, Gaowa,Xue, Xingya,Zhang, Feifang,et al. Prediction of retention times and peak shape parameters of unknown compounds in traditional Chinese medicine under gradient conditions by ultra performance liquid chromatography[J]. ANALYTICA CHIMICA ACTA,2008,628(1):95-103.
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