通过超临界流体染色学/电子喷射电离质谱法对宁单体的电离产生功能组依赖的效应进行检查
Jens Prothmann1, Daniel Molins-Delgado1, Alexander Braune1
1Centre for Analysis and Synthesis, Department of Chemistry, Lund University, P.O. Box 124, SE-22100, Lund, Sweden.
Analytical and bioanalytical chemistry
|June 3, 2024
概括
对素单体 (LMs) 的电喷射电离 (ESI) 的优化揭示了对分析性能的结构影响. 了解这些特征可以提高分析来自生物质的有价值芳香化学物质的方法.
科学领域:
- 分析化学 分析化学
- 生物质转换生物质转换
- 质谱测量质量谱测量
背景情况:
- 生物质衍生的红素可以转化为有价值的芳香化学物质,如香和瓜亚科尔,称为红素单体 (LMs).
- 现有的LMM分析方法使用染色学和喷射电离-质谱学 (ESI-MS) 不清楚LM的化学特性如何影响性能.
研究的目的:
- 系统地优化24种不同的素单体 (LMs) 的ESI效率.
- 调查LM化学性质对ESI参数反应和色谱保留的影响.
- 为了改善LM分析,将结构特征与分析性能相关联.
主要方法:
- 使用超高性能超临界流体色谱/ESI-MS (UHPSFC/ESI-MS) 进行LM分析.
- 采用分数因数设计来优化ESI参数 (例如,气体和气温度) 对于单个LM.
- 研究了分子描述器来解释ESI反应和染色体保留的变化.
主要成果:
- 基于LM结构,最佳ESI设置有显著的变化,这表明了复杂的相互作用.
- 含有两个甲氧基的LMM在更高温度下显示出更好的电离,这与较低的日志P和更高的溶解能量有关.
- 在二醇静止相上的色谱保留与LM中键捐赠者的数量相关.
结论:
- 阐明了影响色谱保留和ESI效率的关键结构特征.
- 这些发现为开发针对特定技术素量身定制的分析方法提供了基础.
- 局限性包括LM标准的稀缺性,阻碍仅从ESI数据进行结构预测.
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