Department of Analytical Chemistry and Food Sciences, Institute of Research in Food Analysis, University of Santiago de Compostela, Santiago de Compostela, Spain.
J Chromatogr A. 2013 Apr 26;1287:2-22. doi: 10.1016/j.chroma.2012.07.081. Epub 2012 Aug 2.
The computer-assisted development of separation procedures in liquid chromatography (LC), which has involved the adaptation of diverse chemometric techniques and the incorporation of successive advances in informatics and computing over a period of more than four decades, has provided chromatographers with commercial and academic tools of great utility. These tools enable the development, optimization (including robustness studies) and transfer of procedures that constitute one of the analytical activities most commonly used at present in laboratories and industries worldwide. Departing from a typical operational scheme of manually developed chromatographic procedures, this review describes some of the different tools and options that chemometrics provides to the chromatographer for the computer-assisted approach, and outlines the present status of this approach and possible reasons why it is still not considered fully satisfactory.
计算机辅助液相色谱（LC）分离方法的开发，涉及多种化学计量学技术的应用，以及在四十多年的时间里信息学和计算技术的不断进步，为色谱学家提供了非常有用的商业和学术工具。这些工具使方法的开发、优化（包括稳健性研究）和转移成为可能，这些方法是目前全球实验室和工业中最常用的分析活动之一。本文从手动开发色谱方法的典型操作方案出发，描述了化学计量学为色谱学家提供的一些不同的工具和选择，用于计算机辅助方法，并概述了该方法的现状以及为什么它仍然不完全令人满意的可能原因。
