Luchinat, C., G. Parigi, and E. Ravera, Can metal ion complexes be used as polarizing agents for solution DNP? A theoretical discussion. J. Biomol. NMR, 2013: p. 1-11.
Dynamic nuclear polarization (DNP) can be used to dramatically increase the NMR signal intensities in solutions and solids. DNP is usually performed using nitroxide radicals as polarizing agents, characterized by sharp EPR lines, fast rotation, fast diffusion, and favorable distribution of the unpaired electron. These features make the nitroxide radicals ideally suited for solution DNP. Here, we report some theoretical considerations on the different behavior of some inorganic compounds with respect to nitroxide radicals. The relaxation profiles of slow relaxing paramagnetic metal aqua ions [copper(II), manganese(II), gadolinium(III) and oxovanadium(IV)] and complexes have been re-analyzed according to the standard theory for dipolar and contact relaxation, in order to estimate the coupling factor responsible for the maximum DNP enhancement that can be achieved in solution and its dependence on field, temperature and relative importance of outer-sphere versus inner-sphere relaxation.
TEMPOL as a polarizing agent for dynamic nuclear polarization of aqueous solutions
From The DNP-NMR Blog:
TEMPOL as a polarizing agent for dynamic nuclear polarization of aqueous solutions
Gafurov, M., TEMPOL as a polarizing agent for dynamic nuclear polarization of aqueous solutions. Magn. Reson. Solids., 2013. 15: p. 13103.
http://mrsej.ksu.ru/contents.html#13103
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[NMR paper] Solution NMR refinement of a metal ion bound protein using metal ion inclusive restrained molecular dynamics methods.
Solution NMR refinement of a metal ion bound protein using metal ion inclusive restrained molecular dynamics methods.
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Abstract
Correctly calculating the structure of metal coordination sites in a protein during the process of nuclear magnetic resonance (NMR) structure determination and refinement continues to...
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The UK NMR Discussion Group
The UK NMR Discussion Group
October 2011
Publication year: 2011
Source:Progress in Nuclear Magnetic Resonance Spectroscopy, Volume 59, Issue 3</br>
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The UK NMR Discussion Group
The UK NMR Discussion Group
October 2011
Publication year: 2011
Source:Progress in Nuclear Magnetic Resonance Spectroscopy, Volume 59, Issue 3</br>
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The UK NMR Discussion Group
The UK NMR Discussion Group
Publication year: 2011
Source:Progress in Nuclear Magnetic Resonance Spectroscopy, Volume 59, Issue 3</br>
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The UK NMR Discussion Group
The UK NMR Discussion Group
Publication year: 2011
Source: Progress in Nuclear Magnetic Resonance Spectroscopy, In Press, Corrected Proof, Available online 2 August 2011</br>
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[NMR paper] Determination of the electron relaxation rates in paramagnetic metal complexes: appli
Determination of the electron relaxation rates in paramagnetic metal complexes: applicability of available NMR methods.
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J Magn Reson. 2004 Apr;167(2):169-77
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Four different approaches for determining the electron relaxation rates in paramagnetic metallo-proteins are investigated, using a paramagnetic Ni2+ complex of a protein as an example. All four approaches rely on the...
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[NMR paper] Metal complexes as allosteric effectors of human hemoglobin: an NMR study of the inte
Metal complexes as allosteric effectors of human hemoglobin: an NMR study of the interaction of the gadolinium(III) bis(m-boroxyphenylamide)diethylenetriaminepentaacetic acid complex with human oxygenated and deoxygenated hemoglobin.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-cellhub.gif http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.pubmedcentral.nih.gov-corehtml-pmc-pmcgifs-pubmed-pmc.gif Related Articles Metal complexes as allosteric effectors of human hemoglobin: an NMR study of the interaction of the...
Can metal ion complexes be used as polarizing agents for solution DNP? A theoretical discussion
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