高等学校化学学报 ›› 2004, Vol. 25 ›› Issue (5): 896.

• 研究论文 • 上一篇    下一篇

基于遗传算法的手性毛细管电泳分离中多指标同时优化

熊建辉, 张普敦, 石先哲, 张玉奎, 许国旺   

  1. 中国科学院大连化学物理研究所国家色谱研究分析中心, 大连 116011
  • 收稿日期:2003-06-23 出版日期:2004-05-24 发布日期:2004-05-24
  • 通讯作者: 许国旺(1963年出生),男,博士,研究员,博士生导师,主要从事色谱和毛细管电泳研究.E-mail:dicp402@mai.ldlp tt.ln.cn E-mail:dicp402@mai.ldlptt.ln.cn
  • 基金资助:

    国家自然科学基金(批准号:29975029);科技部分析测试新技术新方法研究基金(批准号:科2002-3)资助

The Multicriteria-decision-making Simultaneous Optimization Based onGenetic Algorithm in Chiral Capillary Electrophoresis Separation

XIONG Jian-Hui, ZHANG Pu-Dun, SHI Xian-Zhe, ZHANG Yu-Kui, XU Guo-Wang   

  1. National Chromatography R. & A. Center, Dalian Institute of Chemical Physics, The Chinese Academy of Sciences, Dalian 116011, China
  • Received:2003-06-23 Online:2004-05-24 Published:2004-05-24

摘要: 将功效函数法结合遗传算法用于碱性药物肾上腺素的手性毛细管电泳的多指标同时优化.以均匀设计安排了4因素(电解质浓度、pH值、手性试剂浓度和分离电压)6水平实验,建立了峰分离度、迁移时间和灵敏度与实验因素间的多元线性回归方程.为获得毛细管电泳评价指标的同时优化,采用Derringer功效函数法,建立了总功效函数与实验因素的定量关系.采用实数编码的遗传算法搜寻总功效函数的最大值,获得了多个优化分离条件,在这些分离条件下得到的总功效函数与均匀试验设计中最佳条件相比,平均提高了10.4%,获得了三指标同时优化的结果.

关键词: 毛细管电泳, 遗传算法, 功效函数, 对映体分离, 多指标优化

Abstract: A methodology based on the combination of desirability function approach and genetic algorithm was applied to the multicriteria-decision-making simultaneous optimization of epinephrine enantiomers by capillary electrophoresis. Uniform design, an experimental design method, was employed to examine how the factors such as electrolyte concentration, pH, concentration of chiral selector and voltage affected resolution, analysis time and peak height. In order to achieve the simultaneous optimization of the three goals for efficient, fast and highly sensitive separation, the Derringer desirability functions were tested. The real-value encoded genetic algorithm was used to acheive the search for maximizing desirability and several optimal separation conditions were obtained. Under the optimized conditions, the values of total desirability functions were increased by 10.4% in comparison to those under the optimal condition defined by the uniform design experiment.

Key words: Capillary electrophoresis, Genetic algorithm, Desirability function, Enantiomer separation, Multicritiria optimization

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