基于遗传算法优化的约束背景双线性分解算法用于改进高效液相色谱灰色分析体系的校正结果

引用本文: 张雅雄, 聂先玲. 基于遗传算法优化的约束背景双线性分解算法用于改进高效液相色谱灰色分析体系的校正结果[J]. 色谱, 2017, 35(6): 634-642. doi: 10.3724/SP.J.1123.2016.12017 shu

Citation: ZHANG Yaxiong, NIE Xianling. An improvement of the calibration results for grey analytical system in high performance liquid chromatography applying constrained background bilinearization method based on genetic algorithm optimization strategy[J]. Chinese Journal of Chromatography, 2017, 35(6): 634-642. doi: 10.3724/SP.J.1123.2016.12017 shu

基于遗传算法优化的约束背景双线性分解算法用于改进高效液相色谱灰色分析体系的校正结果

张雅雄 ,
聂先玲

磁性分子与磁性信息材料教育部重点实验室, 山西师范大学化学与材料科学学院, 山西临汾 041004
基金项目:
山西省自然科学基金项目（2010011013-2）；山西省留学回国人员项目（2014-045）；山西师大教学改革项目（SD2013JGXM-54）.

摘要: 该文采用约束背景双线性分解算法（CBBL）对以高效液相色谱（HPLC）方法分离分析的灰色分析体系进行了多元校正研究。针对采用包括CBBL在内的矩阵校正方法处理HPLC灰色分析体系的固有缺陷，即在相关组分的色谱保留时间重现性较低的情形下多元校正的结果不理想，对CBBL方法进行了改进，即将待测组分的浓度与组分的色谱保留时间同时作为优化的参量引入CBBL，并采用遗传算法（GA）优化CBBL，对于模拟的组分保留时间飘移严重的HPLC灰色分析体系及保留时间重现性不佳的多种酚类化合物组成的实际HPLC灰色分析体系进行了多元校正分析，成功克服了经典CBBL的固有缺陷，取得了较理想的多元校正结果。另外，该研究所建议的方法的校正结果也显著优于传统的残差双线性分解法（RBL）以及秩消失因子分析法（RAFA）。

关键词:

English

An improvement of the calibration results for grey analytical system in high performance liquid chromatography applying constrained background bilinearization method based on genetic algorithm optimization strategy

Key Laboratory of Magnetic Molecules & Magnetic Information Materials, Ministry of Education, School of Chemistry and Material Science, Shanxi Normal University, Linfen 041004, China
Received Date: 08 December 2016
Fund Project:
Scientific Research Fund From Shanxi Province, China (No. 2010011013-2)

Abstract: Constrained background bilinearization (CBBL) method was applied for multivariate calibration analysis of the grey analytical system in high performance liquid chromatography (HPLC). By including the variables of the concentrations and the retention time of the analytes simultaneously, the standard CBBL was modified for the multivariate calibration of the HPLC system with poor retention precision. The CBBL was optimized globally by genetic algorithm (GA). That is to say, both the concentrations and the retention times of the analytes were optimized globally and simultaneously by GA. The modified CBBL was applied in the calibration analysis for both simulated and experimental HPLC system with poor retention precision. The experimental data were collected from HPLC separation system for phenolic compounds. The modified CBBL was verified to be useful to prevent the inherent limitation of the standard CBBL, which means that the standard CBBL may result in poor calibration results in the case of poor retention precision in chromatography system. Moreover, the modified CBBL can give not only the concentrations but also the retention time of the analytes. i. e., more useful information of the analytes can be generated by the modified CBBL. Subsequently, nearly ideal calibration results were obtained. On the other hand, comparing with the calibration results by the classical rank annihilation factor analysis (RAFA) and residual bilinearization (RBL) method, the results given by the modified CBBL were also improved significantly for the HPLC systems studied in this work.

Key words:

1. [1] Liang Y Z, Xu Q S. Instrumental Analysis of Complex Systems——White, Grey and Black Analytical Systems and Their Multivariate Methods. Beijing: Chemical Industry Press, 2012 梁逸曾, 许青松. 复杂体系仪器分析——白、灰、黑分析体系及其多变量解析方法. 北京: 化学工业出版社, 2012
2. [2] Ho C-N, Christian G D, Davidson E R. Anal Chem, 1981, 53(1): 92
3. [3] Öhman J, Geladi P, Wold S. J Chemom, 1990, 4(2): 135
4. [4] Liang Y Z, Manne R, Kvalheim O M. Chemom Intell Lab Syst, 1992, 14: 175
5. [5] Chen W C, Cui H, Chen Z P, et al. Acta Chimica Sinica, 1997, 55(7): 693 陈文灿, 崔卉, 陈增萍, 等. 化学学报, 1997, 55(7): 693
6. [6] Zhang Y. Chemom Intell Lab Syst, 2015, 149: 73
7. [7] Lu P Z, Dai C Z, Zhang X M. Basic Theory of Chromatography. Beijing: Science Press, 1997 卢佩章, 戴朝政, 张祥民. 色谱理论基础. 北京: 科学出版社, 1997
8. [8] Goicoechea H C, Calimag-Williams K, Campiglia A D. Anal Chim Acta, 2012, 717: 100
9. [9] Elcoroaristizabal S, Juan A D, García J A, et al. Chemom Intell Lab Syst, 2014, 132: 63
10. [10] Vandeginste B G M. Chemom Intell Lab Syst, 2015, 149: 118
11. [11] Wu H L, Li Y, Yu R Q. J Chemom, 2014, 28(5): 476
12. [12] Li Z F, Xu G J, Wang J J, et al. Chinese Journal of Analytical Chemistry, 2016, 44(2): 305 李正风, 徐广晋, 王家俊, 等. 分析化学, 2016, 44(2): 305
13. [13] Xing Y N, Feng A H, Ye L Q, et al. Chinese Journal of Chromatography, 2016, 34(3): 346 幸苑娜, 冯岸红, 叶淋泉, 等. 色谱, 2016, 34(3): 346
14. [14] Pan Z X, Si S Z, Nie S Z, et al. Factor Analysis in Chemistry. Hefei: University of Science and Technology of China Press, 1992 潘忠孝, 司圣柱, 聂圣哲, 等. 化学因子分析. 合肥: 中国科学技术大学出版社, 1992

扫一扫看文章

计量

PDF下载量: 2
文章访问数: 375
HTML全文浏览量: 34

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142

基于遗传算法优化的约束背景双线性分解算法用于改进高效液相色谱灰色分析体系的校正结果

English

An improvement of the calibration results for grey analytical system in high performance liquid chromatography applying constrained background bilinearization method based on genetic algorithm optimization strategy

CCS Chemistry：嵌段共聚物自组装成 “三明治”二维有机材料，实现纳米级压力传感功能

CCS Chemistry：颜徐州、鲍哲南：你的皮肤可能是一片SPMs

CCS Chemistry：工作高效不疲劳，只须让催化剂动起来

CCS Chemistry：静电组装导向聚合- 聚电解质纳米凝胶量化制备新策略

CCS Chemistry：金黄色葡萄球菌醛基脱氢酶是如何识别特异性底物的？

计量

通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处

基于遗传算法优化的约束背景双线性分解算法用于改进高效液相色谱灰色分析体系的校正结果

English

An improvement of the calibration results for grey analytical system in high performance liquid chromatography applying constrained background bilinearization method based on genetic algorithm optimization strategy

CCS Chemistry：嵌段共聚物自组装成 “三明治”二维有机材料，实现纳米级压力传感功能

CCS Chemistry：颜徐州、鲍哲南： 你的皮肤可能是一片SPMs

CCS Chemistry：工作高效不疲劳，只须让催化剂动起来

CCS Chemistry：静电组装导向聚合- 聚电解质纳米凝胶量化制备新策略

CCS Chemistry：金黄色葡萄球菌醛基脱氢酶是如何识别特异性底物的？

计量

文章相关

通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处

CCS Chemistry：颜徐州、鲍哲南：你的皮肤可能是一片SPMs