In this article, we describe an in-depth overview of the development of paramagnetic polarizing agents for dynamic nuclear polarization (DNP)-enhanced solid-state magic angle spinning (MAS) nuclear magnetic resonance (NMR). In DNP experiments, the large polarization of unpaired electrons is transferred to surrounding nuclei, which provides a maximum theoretical DNP enhancement of 660 for 1H NMR. The article includes a description of the different polarizing mechanisms and outlines key structural and magnetic parameters that contributed to the rational design of improved polarizing sources. The application of (di)nitroxides, heterobiradicals, narrow-line radicals, paramagnetic metal ions as well as site-specific polarizing agents is discussed. With the best polarizing agents, ssNMR MAS NMR/DNP enhances sensitivity by a factor of up to 200, providing decreased experiment time by five orders of magnitude and opening new avenues for NMR.
Computationally Assisted Design of Polarizing Agents for Dynamic Nuclear Polarization Enhanced NMR: The AsymPol Family #DNPNMR
From The DNP-NMR Blog:
Computationally Assisted Design of Polarizing Agents for Dynamic Nuclear Polarization Enhanced NMR: The AsymPol Family #DNPNMR
Mentink-Vigier, Frédéric, Ildefonso Marin-Montesinos, Anil P. Jagtap, Thomas Halbritter, Johan van Tol, Sabine Hediger, Daniel Lee, Snorri Th. Sigurdsson, and Gaël De Paëpe. “Computationally Assisted Design of Polarizing Agents for Dynamic Nuclear Polarization Enhanced NMR: The AsymPol Family.” Journal of the American Chemical Society 140, no. 35 (September 5, 2018): 11013–19.
https://doi.org/10.1021/jacs.8b04911.
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11-25-2018 06:02 AM
Efficiency of Water-Soluble Nitroxide Biradicals for Dynamic Nuclear Polarization in Rotating Solids at 9.4 T: bcTol-M and cyolyl-TOTAPOL as New Polarizing Agents #DNPNMR
From The DNP-NMR Blog:
Efficiency of Water-Soluble Nitroxide Biradicals for Dynamic Nuclear Polarization in Rotating Solids at 9.4 T: bcTol-M and cyolyl-TOTAPOL as New Polarizing Agents #DNPNMR
Geiger, Michel-Andreas, Anil P. Jagtap, Monu Kaushik, Han Sun, Daniel Stöppler, Snorri T. Sigurdsson, Björn Corzilius, and Hartmut Oschkinat. “Efficiency of Water-Soluble Nitroxide Biradicals for Dynamic Nuclear Polarization in Rotating Solids at 9.4 T: BcTol-M and Cyolyl-TOTAPOL as New Polarizing Agents.” Chemistry - A European Journal 24, no. 51 (September 12, 2018): 13485–94.
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In Silico Design of DNP Polarizing Agents: Can Current Dinitroxides Be Improved? #DNPNMR
From The DNP-NMR Blog:
In Silico Design of DNP Polarizing Agents: Can Current Dinitroxides Be Improved? #DNPNMR
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Perras, F.A., A. Sadow, and M. Pruski, In Silico Design of DNP Polarizing Agents: Can Current Dinitroxides Be Improved? ChemPhysChem, 2017. 18(16): p. 2279-2287.
https://www.ncbi.nlm.nih.gov/pubmed/28599086
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11-09-2017 08:55 AM
Dynamic Nuclear Polarization/Solid-State NMR Spectroscopy of Membrane Polypeptides: Free-Radical Optimization for Matrix-Free Lipid Bilayer Samples #DNPNMR
From The DNP-NMR Blog:
Dynamic Nuclear Polarization/Solid-State NMR Spectroscopy of Membrane Polypeptides: Free-Radical Optimization for Matrix-Free Lipid Bilayer Samples #DNPNMR
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Salnikov, E.S., et al., Dynamic Nuclear Polarization/Solid-State NMR Spectroscopy of Membrane Polypeptides: Free-Radical Optimization for Matrix-Free Lipid Bilayer Samples. ChemPhysChem, 2017. 18(15): p. 2103-2113.
https://www.ncbi.nlm.nih.gov/pubmed/28574169
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09-25-2017 08:42 PM
Producing Radical-Free Hyperpolarized Perfusion Agents for In Vivo Magnetic Resonance Using Spin-Labeled Thermoresponsive Hydrogel
From The DNP-NMR Blog:
Producing Radical-Free Hyperpolarized Perfusion Agents for In Vivo Magnetic Resonance Using Spin-Labeled Thermoresponsive Hydrogel
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Cheng, T., et al., Producing Radical-Free Hyperpolarized Perfusion Agents for In Vivo Magnetic Resonance Using Spin-Labeled Thermoresponsive Hydrogel. Macromol Rapid Commun, 2016. 37(13): p. 1074-8.
https://www.ncbi.nlm.nih.gov/pubmed/27184565
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02-08-2017 11:42 PM
Producing Radical-Free Hyperpolarized Perfusion Agents for In Vivo Magnetic Resonance Using Spin-Labeled Thermoresponsive Hydrogel
From The DNP-NMR Blog:
Producing Radical-Free Hyperpolarized Perfusion Agents for In Vivo Magnetic Resonance Using Spin-Labeled Thermoresponsive Hydrogel
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Cheng, T., et al., Producing Radical-Free Hyperpolarized Perfusion Agents for In Vivo Magnetic Resonance Using Spin-Labeled Thermoresponsive Hydrogel. Macromol Rapid Commun, 2016. 37(13): p. 1074-8.
https://www.ncbi.nlm.nih.gov/pubmed/27184565
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02-03-2017 09:55 PM
Gd(iii) and Mn(ii) complexes for dynamic nuclear polarization: small molecular chelate polarizing agents and applications with site-directed spin labeling of proteins #DNPNMR
From The DNP-NMR Blog:
Gd(iii) and Mn(ii) complexes for dynamic nuclear polarization: small molecular chelate polarizing agents and applications with site-directed spin labeling of proteins #DNPNMR
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Kaushik, M., et al., Gd(iii) and Mn(ii) complexes for dynamic nuclear polarization: small molecular chelate polarizing agents and applications with site-directed spin labeling of proteins. Phys Chem Chem Phys, 2016. 18(39): p. 27205-27218.
https://www.ncbi.nlm.nih.gov/pubmed/27545112
Polarizing Agents: Evolution and Outlook in Free Radical Development for DNP #DNPNMR
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