Correction for 'Conformation of bis-nitroxide polarizing agents by multi-frequency EPR spectroscopy' by Janne Soetbeer et al., Phys. Chem. Chem. Phys., 2018, 20, 25506-25517.
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| http://dx.doi.org/10.1039/d0cp90040k | DOI Listing |
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The distance between g-tensors of nitroxide biradicals governs MAS-DNP performance: The case of the bTurea family.
J Magn Reson
August 2021
Science Institute, University of Iceland, 107 Reykjavik, Iceland.
Bis-nitroxide radicals are common polarizing agents (PA), used to enhance the sensitivity of solid-state NMR experiments via Magic Angle Spinning Dynamic Nuclear Polarization (MAS-DNP). These biradicals can increase the proton spin polarization through the Cross-Effect (CE) mechanism, which requires PAs with at least two unpaired electrons. The relative orientation of the bis-nitroxide moieties is critical to ensure efficient polarization transfer.
View Article and Find Full Text PDFCorrection: Conformation of bis-nitroxide polarizing agents by multi-frequency EPR spectroscopy.
Phys Chem Chem Phys
February 2020
Francis Bitter Magnet Laboratory and Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.
Correction for 'Conformation of bis-nitroxide polarizing agents by multi-frequency EPR spectroscopy' by Janne Soetbeer et al., Phys. Chem.
View Article and Find Full Text PDFDe novo prediction of cross-effect efficiency for magic angle spinning dynamic nuclear polarization.
Phys Chem Chem Phys
January 2019
Univ. Grenoble Alpes, CEA, CNRS, INAC-MEM, F-38000 Grenoble, France.
Magic angle spinning dynamic nuclear polarization (MAS-DNP) has become a key approach to boost the intrinsic low sensitivity of NMR in solids. This method relies on the use of both stable radicals as polarizing agents (PAs) and suitable high frequency microwave irradiation to hyperpolarize nuclei of interest. Relating PA chemical structure to DNP efficiency has been, and is still, a long-standing problem.
View Article and Find Full Text PDFConformation of bis-nitroxide polarizing agents by multi-frequency EPR spectroscopy.
Phys Chem Chem Phys
October 2018
Francis Bitter Magnet Laboratory and Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.
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.
View Article and Find Full Text PDFHeteronuclear Cross-Relaxation under Solid-State Dynamic Nuclear Polarization.
J Am Chem Soc
December 2016
Institute of Physical and Theoretical Chemistry and Institute of Biophysical Chemistry, Goethe University Frankfurt, Max-von-Laue-Str. 7-9, 60438 Frankfurt am Main, Germany.
We report on the spontaneous polarization transfer from dynamically hyperpolarized H to C during magic-angle spinning dynamic nuclear polarization (DNP) at temperatures around 100 K. The transfer is mediated by H-C cross-relaxation within methyl groups due to reorientation dynamics, and results in an inverted C NMR signal of enhanced amplitude. Further spreading of transferred polarization can then occur via C-C spin-diffusion.
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