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 IsCitedBy 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 Haugland, Marius M.; UiT The Arctic University of Norway
Publication Year 2022
Funding Reference Tromsø Research Foundation 18_CANS ; The Research Council of Norway 300769 ; Sigma2 nn9330k ; Sigma2 nn4654k ; European Commission 859910 ; Biotechnology and Biological Sciences Research Council BB/T017740/1 ; Wellcome Trust 099149/Z/12/Z ; Royal Society RG120645 ; The Research Council of Norway 262695 ; The Research Council of Norway 274858
Rights CC0 1.0; info:eu-repo/semantics/openAccess; http://creativecommons.org/publicdomain/zero/1.0
OpenAccess true
Contact Haugland, Marius M. (UiT The Arctic University of Norway)
Representation
Resource Type experimental data; Dataset
Format text/plain; application/zip
Size 9164; 27077191
Version 3.2
Discipline Chemistry; Natural Sciences; Physics