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Analysis of small molecules is performed at all sites in the SwedNMR network but are a main focus in term of user support in Gothenburg, Umeå and Uppsala. Small molecule analysis covers a wide array of applications, from structure determination of of natural product, dynamics, fragment-based screening (FBS) and other interaction studies between small and large molecules. We support users from both academia and industry and welcome projects in all small molecule applications.

University of Gothenburg

Contact person: SomeoneThe Swedish NMR Centre at the University of Gothenburg have setups for acquisition of 1H, 13C, 15N, 31P and 19F spectra for organic molecules using cryogenically cooled probes (at 600 - 900 MHz) with great sensitivity, with one instrument specifically dedicated to 13C-detected experiments. We also have a BBO probe at 600 MHz for non-routine nuclei (e.g. 11B).

We perform structure elucidations, diffusion measurements and analysis, fragment based screens by NMR, interaction studies and methods development, including multiple solvent suppression and the use of non-uniform sampling.

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Contact person: Zoltan Takacs

E-mail: someone@nmrzoltan.gutakacs@gu.se

For more information: https://www.gu.se/en/nmr/research-areas/small-molecule-nmr SNC GU Small molecule NMR

Zoltan Takacs

Umeå University

At Umeå University, one of our focus areas is fragment-based screening (FBS) using a 600 MHz spectrometer with a cooled SampleJet and liquid handling systems for sample preparation. Two different fragment libraries are available in-house, one general purpose library consisting of 800 fragments and a smaller, fluorinated library consisting of 460 fragments. We also have experience with general protein-ligand interaction studies, non-standard nuclei in both solution- and solid-state, and structure determination of small organic molecules and peptides. We also have a unique setup for deuerium isotopomer studies with a 2H-observe DUX cryo-probe.

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E-mail: mate.erdelyi@kemi.uu.se

For more information: https://www.nmrcenter.kemi.uu.se/?languageId=1 NMR Uppsala - Nuclear Magnetic Resonance Center Uppsala

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