| 一种基于光谱分析的二元不完全重叠色谱峰的分离解析方法 |
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| 引用本文： | Liu B,Fan X,Huo S,Zhou L,Wang J,Zhang H,Hu M,Zhu J. 一种基于光谱分析的二元不完全重叠色谱峰的分离解析方法[J]. 色谱, 2011, 29(12): 1194-1198. DOI: 10.3724/SP.J.1123.2011.01194 |
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| 作者姓名： | Liu B Fan X Huo S Zhou L Wang J Zhang H Hu M Zhu J |
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| 作者单位： | 1. 国家加工食品质量监督检验中心(山东), 山东省产品质量监督检验研究院, 山东 济南 250100; 2. 山东省材料化学安全检测技术重点实验室, 山东 济南 250100; 3. 山东出入境检验检疫局化工矿产品检测中心, 山东 青岛 266100 |
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| 基金项目： | 山东省优秀中青年科学家科研奖励基金项目(No. 2010BSB23005). |
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| 摘 要： | 基于二极管阵列检测器获得的色谱-光谱数据,建立了一种二元不完全重叠液相色谱峰的解析方法: 色谱数据经过去噪、归一化处理后,计算各时间点的光谱差异并进行系统聚类分析,提取特征光谱后,利用非负最小二乘法对色谱-光谱矩阵进行解析,得到基于特征光谱的流出曲线,进而得到分离后的色谱峰。将解析结果和纯标样的色谱峰进行比较,解析后的光谱图和纯标样的光谱图无显著差异,保留时间相差小于0.01 min。实验结果表明,该方法在二元不完全重叠液相色谱峰的解析方面能取得良好的效果。
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| 关 键 词： | 光谱分析 重叠峰解析 色谱 非负最小二乘法 聚类分析 |
| 收稿时间： | 2011-07-25 |
A method for the analysis of overlapped peaks in the high performance liquid chromatogram based on spectrum analysis |
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| Liu Bao,Fan Xiaoming,Huo Shengnan,Zhou Lili,Wang Jun,Zhang Hui,Hu Mei,Zhu Jianhua. A method for the analysis of overlapped peaks in the high performance liquid chromatogram based on spectrum analysis[J]. Chinese journal of chromatography, 2011, 29(12): 1194-1198. DOI: 10.3724/SP.J.1123.2011.01194 |
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| Authors: | Liu Bao Fan Xiaoming Huo Shengnan Zhou Lili Wang Jun Zhang Hui Hu Mei Zhu Jianhua |
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| Affiliation: | 1. National Center for Quality Supervision and Inspection of Processed Food (Shandong), Shandong Supervision and Inspection Institute for Product Quality, Jinan 250100, China; 2. Shandong Provincial Key Laboratory of Test Technology for Material Chemical Safety, Jinan 250100, China; 3. Shandong Testing Institute for Chemicals of Shandong Entry-Exit Inspection and Quarantine Bureau,Qingdao 266100, China |
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| Abstract: | A method was established to analyse the overlapped chromatographic peaks based on the chromatographic-spectra data detected by the diode-array ultraviolet detector. In the method, the three-dimensional data were de-noised and normalized firstly; secondly the differences and clustering analysis of the spectra at different time points were calculated; then the purity of the whole chromatographic peak were analysed and the region were sought out in which the spectra of different time points were stable. The feature spectra were extracted from the spectrum-stable region as the basic foundation. The nonnegative least-square method was chosen to separate the overlapped peaks and get the flow curve which was based on the feature spectrum. The three-dimensional divided chromatographic-spectrum peak could be gained by the matrix operations of the feature spectra with the flow curve. The results displayed that this method could separate the overlapped peaks. |
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| Keywords: | spectrum analysis overlapped peak analysis chromatography nonnegative least-square clustering analysis |
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