| 逐步校正迭代算法及其在两组分包埋色谱峰解析中的应用 |
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| 引用本文： | 黄建国,李洪东,许青松,梁逸曾.逐步校正迭代算法及其在两组分包埋色谱峰解析中的应用[J].计算机与应用化学,2008,25(8). |
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| 作者姓名： | 黄建国 李洪东 许青松 梁逸曾 |
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| 作者单位： | 1. 郑州轻工业学院,河南,郑州,450002;湖南中烟工业有限责任公司技术中心,湖南,长沙,410001
2. 中南大学化学化工学院中药现代化研究中心,湖南,长沙,410083 |
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| 基金项目： | 国家自然科学基金，科技部国际科技合作项目 |
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| 摘 要： | 在残差双线性分解算法的基础上,提出了一种新的用于解析两组分包埋色谱体系的方法,即逐步校正式迭代算法.此算法基于以下2个基本假设:(1)必须存在相应于大色谱峰对应组分的选择性区域;(2)二维数据矩阵必须满足双线性.基于选择性离子,本文同时提出了一种的简单易行的对解析结果的可靠性进行验证的方法.将此法用于2个模拟分析体系和2个气质联用数据的解析,得到了令人满意的结果.
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| 关 键 词： | 包埋色谱峰 逐步校正式迭代算法 联用色谱数据 双线性 |
Stepwise calibrating iteration method and its application in resolution of embedded peaks of a binary mixture |
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| Huang Jianguo,Li Hongdong,Xu Qingsong,Liang Yizeng.Stepwise calibrating iteration method and its application in resolution of embedded peaks of a binary mixture[J].Computers and Applied Chemistry,2008,25(8). |
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| Authors: | Huang Jianguo Li Hongdong Xu Qingsong Liang Yizeng |
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| Abstract: | A new procedure is developed for resolution of embedded chromatographic peaks in a binary mixture based on residual bilin- earization(RBL).The proposed method relies on the following two assumptions:(1)There must exist a selective region for the compo- nent corresponding to the major chromatographic peak;(2)The two-way data must be bilinear.Simultaneously,an easy but effective method for the validation of the resolution results has been proposed based on the selective ion.This method is applied in two simulated data and two GC/MS data.The results are satisfying. |
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| Keywords: | embedded chromatographic peaks stepwise calibrating iteration algorithm two-way hyphenated data bilinearization |
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