色谱

色谱

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可调移动重叠分离图法用于高效液相色谱多台阶梯度分离条件优化的研究

单亦初1,2,张维冰1,2,SEIDEL-MORGENSTERN Andreas2,赵瑞环1,张玉奎1

  

  1. 1.National Chromatographic R.&A. Center, Dalian Institute of Chemical Physics, the Chinese Academy of Sciences, Dalian 116023, China; 2.Max-Planck-Institut für Dynamik Komplexer Technischer Systeme, Magdeburg 39106, Germany
  • 收稿日期:2005-02-28 修回日期:2006-04-21 出版日期:2006-03-30 发布日期:1987-06-25
  • 通讯作者: 张维冰

Application of Adjustable Moving Overlapping Separation Range Map in Multisegment Stepwise Gradient Elution Condition
Optimization of High Performance Liquid Chromatography

SHAN Yichu1,2, ZHANG Weibing1,2, SEIDEL-MORGENSTERN Andreas2, ZHAO Ruihuan1, ZHANG Yukui1

  

  1. 1.National Chromatographic R.&A. Center, Dalian Institute of Chemical Physics, the Chinese Academy of Sciences, Dalian 116023, China; 2.Max-Planck-Institut für Dynamik Komplexer Technischer Systeme, Magdeburg 39106, Germany
  • Received:2005-02-28 Revised:2006-04-21 Online:2006-03-30 Published:1987-06-25
  • Contact: ZHANG Weibing

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摘要：

计算机辅助高效液相色谱（HPLC）分离条件优化可以低成本、快速地得到优化的分离条,因而已较为广泛地用于复杂样品的分离分析。基于移动重叠分离图方法,又发展了一种新型的多台阶梯度分离条件的优化方法可调移动重叠分离图法。该方法通过预测不同流动相条件下各组分的保留时间、峰宽和分离度,绘制出对于样品中各组分的重叠分离区域图。在对当前台阶流动相组成进行优化的同时,考虑其对后面一到两个台阶上流出组分保留的影响,实时地重新绘制对于后面台阶上流出组分的重叠分离区域图。通过观察当前台阶流动相条件对当前台阶和后面台阶上流出组分分离的影响,综合考虑样品中所有组分的分离情况,找到更接近全局最优的分离条件。通过扫描的方法对优化得到的分离条件进行微调,能够进一步提高分离效果。采用文献数据对可调移动重叠分离图法的应用加以说明,在二元流动相体系下,证明了该方法在HPLC方法建立方面的优越性。

关键词: 分离条件优化, 高效液相色谱, 可调移动重叠分离图

Abstract:

Computer-assisted optimization of high performance liquid chromatographic separation conditions can be used to obtain optimized experimental conditions in relatively short time and low cost, and has been widely applied to the separation of complex samples. Based on “moving overlapping separation range map” method, a novel method of optimizing multi-segment stepwise gradient elution conditions, “adjustable moving overlapping separation range map” method, was developed. By predicting the retention time, peak width and resolution of each solute under different mobile phase conditions, the overlapping separation range map of the solutes in the sample is plotted. When the mobile phase composition on the current step is optimized, the overlapping separation range map for solutes eluted in next one or two steps is replotted simultaneously by considering the influence of elution conditions for current step on the retention of uneluted solutes. It is helpful to consider the separation of each solute in the sample simultaneously and find optimized separation conditions close to the global optimum by investigating the effect of mobile phase conditions for current step on the separation of solutes eluted in the current and next one or two steps. By slightly adjusting the optimized separation conditions using grid search method, the separation performance can be further improved. The application of “adjustable moving overlapping separation range map” method was illustrated by using experimental data from literature. The advantage of this method in high performance liquid chromatography was verified in binary mobile phase system.

Key words: adjustable moving overlapping separation range map , separation condition optimization, high performance liquid chromatography (HPLC)