ArticlePhysical chemistry chemical physics : PCCP2018
Conformation of bis-nitroxide polarizing agents by multi-frequency EPR spectroscopy.
Article in Physical chemistry chemical physics : PCCP, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed.
- EPR spectroscopy 80 years after its discovery.Science advances · 2026Review
- Systematic Evaluation of Polarizing Agents for Dynamic Nuclear Polarization Enhanced NMR.Angewandte Chemie (International ed. in English) · 2025Article
- Indirect Detection of the Protons in and around Biradicals and their Mechanistic Role in MAS-DNP.The journal of physical chemistry letters · 2025Article
- Role of Protons in and around Strongly Coupled Nitroxide Biradicals for Cross-Effect Dynamic Nuclear Polarization.The journal of physical chemistry letters · 2024Article
- AsymPol-TEKs as efficient polarizing agents for MAS-DNP in glass matrices of non-aqueous solvents.Physical chemistry chemical physics : PCCP · 2024Article
- Multi Electron Spin Cluster Enabled Dynamic Nuclear Polarization with Sulfonated BDPA.The journal of physical chemistry letters · 2023Article
- Polarizing agents for efficient high field DNP solid-state NMR spectroscopy under magic-angle spinning: from design principles to formulation strategies.Chemical science · 2023Review
- Designing broadband pulsed dynamic nuclear polarization sequences in static solids.Science advances · 2022Article
- DNPSOUP: A simulation software package for dynamic nuclear polarization.Journal of magnetic resonance (San Diego, Calif. : 1997) · 2022Review
- Spin-spin interaction and relaxation in two trityl-nitroxide diradicals.Journal of magnetic resonance (San Diego, Calif. : 1997) · 2021Article
- The distance between g-tensors of nitroxide biradicals governs MAS-DNP performance: The case of the bTurea family.Journal of magnetic resonance (San Diego, Calif. : 1997) · 2021Article
- Time domain DNP at 1.2 T.Journal of magnetic resonance (San Diego, Calif. : 1997) · 2021Article
- Optimizing nitroxide biradicals for cross-effect MAS-DNP: the role of g-tensors' distance.Physical chemistry chemical physics : PCCP · 2020Article
- De novo prediction of cross-effect efficiency for magic angle spinning dynamic nuclear polarization.Physical chemistry chemical physics : PCCP · 2019Article
Corrections and comments
- Erratum issued
Authors and funding
9 authors.
Funding
Abstract
The chemical structure of polarizing agents critically determines the efficiency of dynamic nuclear polarization (DNP). For cross-effect DNP, biradicals are the polarizing agents of choice and the interaction and relative orientation of the two unpaired electrons should be optimal. Both parameters are affected by the molecular structure of the biradical in the frozen glassy matrix that is typically used for DNP/MAS NMR and likely differs from the structure observed with X-ray crystallography. We have determined the conformations of six bis-nitroxide polarizing agents, including the highly efficient AMUPol, in their DNP matrix with EPR spectroscopy at 9.7 GHz, 140 GHz, and 275 GHz. The multi-frequency approach in combination with an advanced fitting routine allows us to reliably extract the interaction and relative orientation of the nitroxide moieties. We compare the structures of six bis-nitroxides to their DNP performance at 500 MHz/330 GHz.
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