Replication Data for: Conformational tuning improves the stability of spirocyclic nitroxides with long paramagnetic relaxation times

DOI

Nitroxides are widely used as probes and polarization transfer agents in spectroscopy and imaging.These applications require high stability towards reducing biological environments, as well as beneficial relaxation properties. Closed spirocyclohexyl nitroxides exhibit a dramatically improved stability towards reduction by ascorbate, while maintaining long relaxation times in EPR spectroscopy. This dataset contains raw files and analysis reports of 1HNMR, 13CNMR, HRMS, FTIR of all compounds synthesized for and used in work: Conformational tuning improves the stability of spirocyclic nitroxides with long paramagnetic relaxation times. Moreover, for nitroxides raw files of X-band CW-EPR spectra, kinetic runs based on CW-EPR spectra and Q-band EPR relaxation measurements are included. Dataset is completed with X-ray crystallography CIF files and reports, as well as all optimized geometries for discussed conformers

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Identifier
DOI https://doi.org/10.18710/UQMMZE
Related Identifier https://doi.org/10.1038/s42004-023-00912-7
Metadata Access https://dataverse.no/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.18710/UQMMZE
Provenance
Creator Sowiński, Mateusz P. ORCID logo; Gahlawat, Sahil; Lund, Bjarte A. ORCID logo; Warnke, Anna-Luisa; Hopmann, Kathrin H. (ORCID: 0000-0003-2798-716X); Lovett, Janet E. (ORCID: 0000-0002-3561-450X); Haugland, Marius M. (ORCID: 0000-0001-7017-344X)
Publisher DataverseNO
Contributor Marius M. Haugland; UiT The Arctic University of Norway; UiT Open Research Data
Publication Year 2022
Funding Reference Tromsø Research Foundation, 18_CANS; Norges Forskningsråd, 300769; Sigma2, nn9330k; Sigma2, nn4654k; Horizon 2020, 859910; Biotechnology and Biological Sciences Research Council, BB T017740 1; Wellcome Trust, 099149 Z 12 Z; Royal Society, RG120645; Norges Forskningsråd, 262695; Norges Forskningsråd, 274858
Rights CC0 1.0; info:eu-repo/semantics/openAccess; http://creativecommons.org/publicdomain/zero/1.0
OpenAccess true
Contact Marius M. Haugland (Department of Chemistry, UiT The Arctic University of Norway, 9037 Tromsø, Norway)
Representation
Resource Type experimental data; Dataset
Format text/plain; application/zip
Size 9164; 27077191
Version 3.1
Discipline Chemistry; Natural Sciences; Physics