Preprints
https://doi.org/10.5194/mr-2024-3
https://doi.org/10.5194/mr-2024-3
12 Feb 2024
 | 12 Feb 2024
Status: this preprint is currently under review for the journal MR.

An automated NMR platform with light-coupled cryogenic probes to detect low micromolar samples

Wolf Wüster, Pit Gebbers, Alois Renn, Matthias Bütikofer, Roland Riek, and Felix Torres

Abstract. Recent advances in NMR fragment screening use sample illumination to boost NMR sensitivity, reduce measurement time to a few seconds, and reduce sample concentration to a few micromolars. Nevertheless, the absence of a fully automated solution to measure several hundreds of samples with photoinduced hyperpolarization limits the large-scale applicability of the method. We present a setup to couple an optical fiber with a cryogenic probe using the flow-cell accessory port. This setup is compatible with commercially available autosamplers, enabling the fully automated measurement of several hundreds of samples per day.

Wolf Wüster, Pit Gebbers, Alois Renn, Matthias Bütikofer, Roland Riek, and Felix Torres

Status: open (until 14 Mar 2024)

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Wolf Wüster, Pit Gebbers, Alois Renn, Matthias Bütikofer, Roland Riek, and Felix Torres
Wolf Wüster, Pit Gebbers, Alois Renn, Matthias Bütikofer, Roland Riek, and Felix Torres

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Short summary
Drug discovery requires the testing of a large number of samples to identify molecules with a potential therapeutic potential. The recent development of methods to perform such tests within seconds using sample illumination in a magnetic field could increase the throughput of such studies. We present a setup that integrates light into fully automated and commercially available instrumentation. This platform upgrade can increase the drug discovery throughput by a factor of 20 to 50-fold.