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ACS Comb Sci. 2019 Sep 9;21(9):609-613. doi: 10.1021/acscombsci.8b00187. Epub 2019 Aug 2.
Purification of compounds is a necessary aspect of chemical synthesis. Developing an efficient purification method is time-consuming. A method that quickly calculates preparative gradients from analytical scouting runs is described. A solvent composition that provides the desired retention of a model compound is used to calibrate the analytical scouting run to determine an apparent gradient delay. This delay is applied to the retention times of compounds run with the same scouting gradient to yield a solvent composition for preparative purification.
化合物的纯化是化学合成的必要环节。开发高效的纯化方法是耗时的。本文描述了一种能够快速从分析性预试验中计算制备性梯度的方法。采用能提供所需保留的模型化合物的溶剂组成来对分析性预试验进行校准,以确定明显的梯度延迟。将此延迟应用于用相同预试验梯度运行的化合物的保留时间,以得到用于制备性纯化的溶剂组成。