Mass spectrometry-based automated reaction discovery system (React-MS)

• Subject Area: Analytical Chemistry
• Term: Funded in 2025
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 560557083

Funding is requested for a system for the automated processing of chemical reactions with mass spectrometric online monitoring. The system will be based on commercially available components such as a high-resolution ion mobility mass spectrometer (IMS-MS) and an automatic liquid phase dosing system. This will enable the automated processing of chemical reactions and a specific online analysis of the reaction progress at high throughput. The system is essential for ongoing and planned research projects at the University of Leipzig. These projects, such as the Deep Chemistry Initiative and the planned DeepInMatter Cluster, are designed to lay the foundations for autonomous chemical laboratories. In the long term, such AI-supported laboratories have the potential to independently explore chemical reaction spaces. The planned system will not only enable accelerated reaction and catalyst screening but also provide high-quality data for the use of machine learning in reaction optimisation. Furthermore, it will support the online monitoring of integrated chemical micro laboratories, which are considered a core unit of future autonomous chemical machines.

• DFG Programme: Major Research Instrumentation
• Major Instrumentation: Massenspektrometrie basiertes automatisierbares Reaktionsentwicklungssystem (React-MS)
• Instrumentation Group: 1700 Massenspektrometer
• Applicant Institution: Universität Leipzig
• Leader: Professor Dr. Detlev Belder