COMPUTER PROGRAM FOR GC METHOD DEVELOPMENT

用于 GC 方法开发的计算机程序

• 批准号: 3498349
• 负责人: LLOYD R SNYDER
• 金额: $ 4.87万
• 依托单位: LC RESOURCES, INC.
• 依托单位国家: 美国
• 财政年份: 1989
• 资助国家: 美国
• 起止时间: 1989-06-01 至 1989-11-30
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/3498349
• 关键词: computer program /software; computer simulation; gas chromatography; personal computers; temperature

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.

计算机辅助方法开发现已在 高效液相色谱（HPLC）。 一种广泛使用的 方法（DryLab G、LC Resources）优化梯度洗脱 方法基于两次实验运行（不同梯度 次）。 随后的计算机模拟用于探索 变量的影响，例如：初始和最终的强溶剂百分比 (%-B)、梯度时间、梯度形状(包括分段 梯度）、柱尺寸、粒径和流速。 计算机模拟提供了相当于大量 在很短的时间内进行实验。 建议开发类似的软件进行优化 程序升温（或等温）气相色谱 (GC) 方法。 文献报告表明，对频带进行相当大的控制 通过使用分段可以实现间距和分辨率 温度程序。 这种现象并未得到广泛传播 由于需要大量实验运行而被利用 以确定最佳条件。 开发一个实用的 GC 的计算机辅助优化程序应导致 显着节省分析方法开发时间 复杂的样品，例如生物体液中的药物代谢物，以及 允许轻松修改现有方法以使其更加适应 紧密结合具体分析的需要。