Replication Data for: Spirocyclic pyrrolidinyl nitroxides with exo-methylene substituents


Nitroxides are stable organic radicals with exceptionally long lifetimes, which render them uniquely suitable as observable probes or polarising agents for spectroscopic investigation of biomolecular structure and dynamics. Radical-based probes for biological applications are ideally characterized by both robustness towards reductive degradation and beneficial electron spin relaxation parameters. These properties are largely influenced by the molecular structure of the nitroxide scaffold, and also by the conformations it prefers to adopt. In this study we present the synthesis of the first nitroxides based on a spirocyclic pyrrolidine scaffold with an exocyclic methylene substituent. Results presented in this work suggest that this new family of nitroxides can provide access to multifunctionalized probes and polarising agents suitable for use in biological environments. This dataset contains raw files and analysis reports of 1HNMR, 13CNMR f all compounds synthesized for and used in work Spirocyclic pyrrolidinyl nitroxides with exo-methylene substituents. Moreover, copies of ATR-FTIR spectroscopy and high resolution mass spectrometry are included for novel compounds. 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 raw cyclic voltammograms.

MestReNova, 14.2.2-28739


PSTrace 5, 5.9.4515

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Metadata Access
Creator Sowiński, Mateusz P. ORCID logo; Warnke, Anna-Luisa ORCID logo; Lund, Bjarte A. ORCID logo; Skagseth, Susann; Cordes, David B. ORCID logo; Lovett, Janet E. (ORCID: 0000-0002-3561-450X); Haugland, Marius M. (ORCID: 0000-0001-7017-344X)
Publisher DataverseNO
Contributor Haugland, Marius M.; Sowiński, Mateusz P.; UiT The Arctic University of Norway
Publication Year 2024
Funding Reference Tromsø Research Foundation 18_CANS ; UiT Centre for New Antibacterial Strategies (CANS) ; BBSRC BB/T017740/1 ; Wellcome Trust 099149/Z/12/Z ; Royal Society RG120645
Rights CC0 1.0; info:eu-repo/semantics/openAccess;
OpenAccess true
Contact Haugland, Marius M. (UiT The Arctic University of Norway); Sowiński, Mateusz P. (UiT The Arctic University of Norway)
Resource Type Experimental data; Dataset
Format text/plain; application/zip
Size 9600; 38731074
Version 1.1
Discipline Chemistry; Natural Sciences; Physics
Spatial Coverage Tromsø, Norway