Patterson D H, Harmon B J, Regnier F E
Department of Chemistry, Purdue University, West Lafayette, IN 47907-1393, USA.
J Chromatogr A. 1996 Apr 26;732(1):119-32. doi: 10.1016/0021-9673(95)01247-8.
A dynamic model is presented for simulation of reaction-based chemical analysis of enzymes and substrates in capillary electrophoretic systems by the methodology of electrophoretically mediated microanalysis (EMMA). The mathematical model utilizes mass balance expressions describing the time-dependent effects of electromigration, chemical reaction, and diffusional band broadening upon the concentration profiles of the various reagent and product species. The model is implemented in an iterative computer program in which the capillary is segmented into arrays of bins storing the concentration profiles of each of the chemical species. During each time increment, the effects of electrophoresis, reaction kinetics, and diffusion are calculated, and the concentrations stored in the arrays are updated. The flexibility of the model to accommodate various initial capillary conditions, sample introduction methods, and voltage programming allows diverse EMMA analyses to be simulated. The simulated results are shown to be in good qualitative agreement with experimental data for zonal injection and moving boundary EMMA determinations of leucine aminopeptidase as well as an EMMA analysis of ethanol.
通过电泳介导微分析（EMMA）方法，提出了一种动态模型，用于模拟毛细管电泳系统中基于反应的酶和底物的化学分析。该数学模型利用质量平衡表达式，描述了电迁移、化学反应和扩散带展宽对各种试剂和产物物种浓度分布随时间的影响。该模型在一个迭代计算机程序中实现，其中毛细管被分割成存储每种化学物种浓度分布的箱阵列。在每个时间增量期间，计算电泳、反应动力学和扩散的影响，并更新阵列中存储的浓度。该模型适应各种初始毛细管条件、样品引入方法和电压编程的灵活性，使得能够模拟各种EMMA分析。模拟结果与亮氨酸氨肽酶的区域进样和移动边界EMMA测定以及乙醇的EMMA分析的实验数据在定性上具有良好的一致性。
