doi:

DOI: 10.3724/SP.J.1123.2016.12017

Chinese Journal of Chromatography (色谱) 2017/35:6 PP.634-642

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


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:constrained background bilinearization (CBBL) method,genetic algorithm (GA),grey analytical system in high performance liquid chromatography (HPLC),improvement for multivariate calibration methods

ReleaseDate:2017-06-16 16:24:27



[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] Ho C-N, Christian G D, Davidson E R. Anal Chem, 1981, 53(1): 92

[3] Öhman J, Geladi P, Wold S. J Chemom, 1990, 4(2): 135

[4] Liang Y Z, Manne R, Kvalheim O M. Chemom Intell Lab Syst, 1992, 14: 175

[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] Zhang Y. Chemom Intell Lab Syst, 2015, 149: 73

[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] Goicoechea H C, Calimag-Williams K, Campiglia A D. Anal Chim Acta, 2012, 717: 100

[9] Elcoroaristizabal S, Juan A D, García J A, et al. Chemom Intell Lab Syst, 2014, 132: 63

[10] Vandeginste B G M. Chemom Intell Lab Syst, 2015, 149: 118

[11] Wu H L, Li Y, Yu R Q. J Chemom, 2014, 28(5): 476

[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] 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] 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