COMPUTER PROGRAM FOR GC METHOD DEVELOPMENT

计算机辅助方法开发现已在 高效液相色谱分析。一种被广泛使用的 方法(DryLab G，LC参考资料)优化梯度洗脱 方法基于两个实验运行(不同的梯度 次数)。随后的计算机模拟被用来探索 变量的影响，如：初始和最终%-强溶剂 (%-B)、渐变时间、渐变形状(包括分段 梯度)、柱尺寸、颗粒大小和流速。 计算机模拟提供了相当于大量 试验性的运行时间很短。 建议开发类似的优化软件 程序升温(或等温)气相色谱 方法：研究方法。 文献报道表明，对波段的相当大的控制- 间隔和分辨率可以通过使用分段 温度程序。这种现象并没有广泛存在。 由于需要大量的实验运行而被利用 确定最佳工艺条件。开发了一种实用的 GC的计算机辅助优化程序应该会导致 显著节省了用于分析的方法开发时间 生物体液中的复杂样品，如药物代谢物，以及 允许轻松修改现有方法，以便更好地适应它们 紧密结合具体分析的需要。

Computer-assisted method development is now well established in high performance liquid chromatography (HPLC). One widely used approach (DryLab G, LC Resources) optimizes gradient elution methods on the basis of two experimental runs (different gradient times). Subsequent computer simulation is used to explore the effects of variables such as: initial and final %-strong solvent (%-B), gradient time, gradient shape (including segmented gradients), column dimensions, particle size and flowrate. Computer simulation provides the equivalent of a large number of experimental runs in a very short time. It is proposed to develop similar software for optimizing temperature programmed (or isothermal) gas chromatography (GC) methods. Literature reports suggest that considerable control over band- spacing and resolution is possible through the use of segmented temperature programs. This phenomenon has not been widely exploited because of the large number of experimental runs required to identify the optimum conditions. The development of a practical computer-assisted optimization program for GC should result in significant savings in method development time for analysis of complex samples such as drug metabolites in biological fluids, and allow easy modification of existing methods to adapt them more closely to the needs of specific analyses.