Prediction of retention times and peak shape parameters of unknown compounds in traditional Chinese medicine under gradient conditions by ultra performance liquid chromatography
文献类型：期刊论文
| 作者 | Jin, Gaowa; Xue, Xingya; Zhang, Feifang; Zhang, Xiuli; Xu, Qing; Jin, Yu; Liang, Xinmiao |
| 刊名 | analytica chimica acta
 |
| 出版日期 | 2008-10-17 |
| 卷号 | 628期号:1页码:95-103 |
| 关键词 | Prediction Retention time Peak shape parameter Peak recognition Traditional Chinese medicine Ultra performance liquid chromatography |
| 产权排序 | 1;1 |
| 通讯作者 | 梁鑫淼 |
| 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. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | chemistry, analytical |
| 研究领域[WOS] | chemistry |
| 关键词[WOS] | restricted multiparameter approach ; flight mass-spectrometry ; modified gaussian model ; computer-simulation ; priority pesticides ; gas-chromatography ; solvent-strength ; optimization ; throughput ; elution |
| 收录类别 | SCI |
| 原文出处 | true |
| 语种 | 英语 |
| WOS记录号 | WOS:000261760700012 |
| 公开日期 | 2010-11-30 |
| 源URL | [http://159.226.238.44/handle/321008/101371]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | Chinese Acad Sci, Dalian Inst Chem Phys, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | 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. |
| APA | Jin, Gaowa.,Xue, Xingya.,Zhang, Feifang.,Zhang, Xiuli.,Xu, Qing.,...&Liang, Xinmiao.(2008).Prediction of retention times and peak shape parameters of unknown compounds in traditional Chinese medicine under gradient conditions by ultra performance liquid chromatography.analytica chimica acta,628(1),95-103. |
| MLA | Jin, Gaowa,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".analytica chimica acta 628.1(2008):95-103. |
入库方式： OAI收割
来源：大连化学物理研究所
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