Paramagnetic metal ions have been utilized as polarizing agents already in the early days of dynamic nuclear polarization (DNP) and have been more recently introduced for magic-angle spinning (MAS) DNP at high magnetic field. In this article, a comprehensive overview is given about the concepts relevant to DNP with high-spin metal ions. The theoretical basis covering the peculiar electron spin dynamics including spin-orbit coupling and zero-field splitting is reviewed, and prerequisites for efficient DNP are introduced. Subsequently, special considerations about the relevant DNP mechanisms (i.e., solid effect and cross effect) are derived. The practical aspects particular to high-spin metal ion DNP are discussed, focusing on differences with respect to conventional (i.e., radical) polarizing agents. In the final section, several demonstrations of MAS DNP on model systems as well as samples relevant to structural biology and materials research are presented. At last, an outlook is given about the prospects of metal ion DNP in light of recent and future advances in modern DNP.
Paramagnetic metal ion dopants as polarization agents for DNP NMR spectroscopy in inorganic solids #DNPNMR
From The DNP-NMR Blog:
Paramagnetic metal ion dopants as polarization agents for DNP NMR spectroscopy in inorganic solids #DNPNMR
Chakrabrty Tanmoy, Goldin Nir, Feintuch Akiva, Houben Lothar, and Leskes Michal. “Paramagnetic Metal Ion Dopants as Polarization Agents for DNP NMR Spectroscopy in Inorganic Solids.” ChemPhysChem 0, no. ja (May 17, 2018).
https://doi.org/10.1002/cphc.201800462.
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07-06-2018 09:40 AM
Characterizing Substrate-Surface Interactions on Alumina-Supported Metal Catalysts by Dynamic Nuclear Polarization-Enhanced Double-Resonance NMR Spectroscopy #DNPNMR
From The DNP-NMR Blog:
Characterizing Substrate-Surface Interactions on Alumina-Supported Metal Catalysts by Dynamic Nuclear Polarization-Enhanced Double-Resonance NMR Spectroscopy #DNPNMR
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Perras, F.A., et al., Characterizing Substrate-Surface Interactions on Alumina-Supported Metal Catalysts by Dynamic Nuclear Polarization-Enhanced Double-Resonance NMR Spectroscopy. J Am Chem Soc, 2017. 139(7): p. 2702-2709.
https://www.ncbi.nlm.nih.gov/pubmed/28112506
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06-13-2017 06:55 AM
Correction: Theory of solid effect and cross effect dynamic nuclear polarization with half-integer high-spin metal polarizing agents in rotating solids #DNPNMR
From The DNP-NMR Blog:
Correction: Theory of solid effect and cross effect dynamic nuclear polarization with half-integer high-spin metal polarizing agents in rotating solids #DNPNMR
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Corzilius, B., Correction: Theory of solid effect and cross effect dynamic nuclear polarization with half-integer high-spin metal polarizing agents in rotating solids. Phys. Chem. Chem. Phys., 2016. 18(42): p. 29643-29643.
http://dx.doi.org/10.1039/C6CP90249A
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12-17-2016 07:18 AM
Theory of solid effect and cross effect dynamic nuclear polarization with half-integer high-spin metal polarizing agents in rotating solids #DNPNMR
From The DNP-NMR Blog:
Theory of solid effect and cross effect dynamic nuclear polarization with half-integer high-spin metal polarizing agents in rotating solids #DNPNMR
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Corzilius, B., Theory of solid effect and cross effect dynamic nuclear polarization with half-integer high-spin metal polarizing agents in rotating solids. Phys. Chem. Chem. Phys., 2016. 18(39): p. 27190-27204.
http://dx.doi.org/10.1039/C6CP04621E
Maximum occurrence analysis of protein conformations for different distributions of paramagnetic metal ions within flexible two-domain proteins
Maximum occurrence analysis of protein conformations for different distributions of paramagnetic metal ions within flexible two-domain proteins
Publication year: 2012
Source:Journal of Magnetic Resonance, Volume 215</br>
Claudio Luchinat, Malini Nagulapalli, Giacomo Parigi, Luca Sgheri</br>
Multidomain proteins are composed of rigid domains connected by (flexible) linkers. Therefore, the domains may experience a large degree of reciprocal reorientation. Pseudocontact shifts and residual dipolar couplings arising from one or more paramagnetic metals successively placed...
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Journal club
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03-09-2012 09:16 AM
Maximum occurrence analysis of protein conformations for different distributions of paramagnetic metal ions within flexible two-domain proteins
Maximum occurrence analysis of protein conformations for different distributions of paramagnetic metal ions within flexible two-domain proteins
Publication year: 2011
Source: Journal of Magnetic Resonance, Available online 30 December 2011</br>
Claudio*Luchinat, Malini*Nagulapalli, Giacomo*Parigi, Luca*Sgheri</br>
Multidomain proteins are composed of rigid domains connected by (flexible) linkers. Therefore, the domains may experience a large degree of reciprocal reorientation. Pseudocontact shifts and residual dipolar couplings arising from one or more paramagnetic metals successively...