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Computer aided optimization of multilinear gradient elution in liquid chromatography
Journal of Chromatography A ( IF 4.1 ) Pub Date : 2020-11-26 , DOI: 10.1016/j.chroma.2020.461754
Weiqiang Hao , Bo Li , Yuying Deng , Qiang Chen , Lijuan Liu , Qiaoyin Shen

Analytical expressions for retention time and peak compression factor are deduced by assuming quadratic solvent strength model and multilinear gradient elution. Based on these expressions, a program for the optimization of multilinear gradient profile is written with Visual Basic for Applications in Excel using genetic algorithm. The program is applied to search for a gradient profile for the separation of twelve compounds that are degraded from lignin. It is shown that the predicted and experimental chromatograms are well consistent. A better separation of the compounds is achieved under an S-shaped multilinear gradient profile than that obtained under linear gradient profile.



中文翻译:

液相色谱中多线性梯度洗脱的计算机辅助优化

通过假设二次溶剂强度模型和多线性梯度洗脱,推导了保留时间和峰压缩因子的解析表达式。基于这些表达式,使用遗传算法在Visual Basic for Excel中编写了用于优化多线性梯度轮廓的程序。该程序用于搜索梯度图,以分离从木质素降解的十二种化合物。结果表明,预测的色谱图和实验色谱图一致。与在线性梯度曲线下获得的化合物相比,在S形多线性梯度曲线下可实现更好的化合物分离。

更新日期:2020-12-02
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