High throughput reaction screening using desorption electrospray ionization mass spectrometry†,Chemical Science

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High throughput reaction screening using desorption electrospray ionization mass spectrometry†
Chemical Science ( IF 7.6 ) Pub Date : 2018-01-04 00:00:00 , DOI: 10.1039/c7sc04606e
Michael Wleklinski _{1,

2,

3,

4} , Bradley P. Loren _{1,

2,

3,

4} , Christina R. Ferreira _{1,

2,

3,

4} , Zinia Jaman _{1,

2,

3,

4} , Larisa Avramova _{1,

2,

3,

4} , Tiago J. P. Sobreira _{1,

2,

3,

4} , David H. Thompson _{1,

2,

3,

4} , R. Graham Cooks _{1,

2,

3,

4}

Affiliation

We report the high throughput analysis of reaction mixture arrays using methods and data handling routines that were originally developed for biological tissue imaging. Desorption electrospray ionization (DESI) mass spectrometry (MS) is applied in a continuous on-line process at rates that approach 10⁴ reactions per h at area densities of up to 1 spot per mm² (6144 spots per standard microtiter plate) with the sprayer moving at ca. 10⁴ microns per s. Data are analyzed automatically by MS using in-house software to create ion images of selected reagents and products as intensity plots in standard array format. Amine alkylation reactions were used to optimize the system performance on PTFE membrane substrates using methanol as the DESI spray/analysis solvent. Reaction times can be <100 μs when reaction acceleration occurs in microdroplets, enabling the rapid screening of processes like N-alkylation and Suzuki coupling reactions as reported herein. Products and by-products were confirmed by on-line MS/MS upon rescanning of the array.

中文翻译：

使用解吸电喷雾电离质谱法进行高通量反应筛选†

我们报告使用最初为生物组织成像开发的方法和数据处理例程对反应混合物阵列进行高通量分析。解吸电喷雾电离（DESI）质谱（MS）以连续的在线过程应用，速率约为每小时10 ^4个反应，面积密度最高为每mm ² 1个点（每个标准微量滴定板6144个点）。喷雾器在大约移动。10 ⁴微米/秒 MS使用内部软件自动分析数据，以标准阵列格式创建强度图的所选试剂和产物的离子图像。使用甲醇作为DESI喷雾/分析溶剂，使用胺烷基化反应来优化PTFE膜基材上的系统性能。当在微滴中发生反应加速时，反应时间可以<100μs，从而能够快速筛选如本文报道的N-烷基化和Suzuki偶联反应等过程。在重新扫描阵列时，通过在线MS / MS确认了产物和副产物。

更新日期：2018-01-04

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