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Hyperfine Shifts

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Encyclopedia of Biophysics

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Synonyms

Pseudocontact and contact shifts

Introduction

Paramagnetic metal ions affect the NMR spectra of molecules because they change chemical shifts and relaxation rates of the observed nuclei. The hyperfine shift is the paramagnetic contribution to the chemical shift of a nucleus in a paramagnetic molecule. It can be measured from the difference between the chemical shift in the paramagnetic molecule and that in a diamagnetic analog, obtained after removal of the paramagnetic metal ion, reduction/oxidation of the paramagnetic metal to a diamagnetic state, or its substitution with a diamagnetic ion.

The hyperfine shift is due to the interaction between the nuclear magnetic moment and the average magnetic moment of the unpaired electron (only the average electron magnetic moment is important because of the much faster spin relaxation time of the electron than that of the nucleus). This interaction affects the separation in energy between the different nuclear spin states in the...

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References

  • Benda L, Mares J, Ravera E, Parigi G, Luchinat C, Kaupp M, Vaara J (2016) Pseudo-contact NMR shifts over the paramagnetic metalloprotein CoMMP-12 from first principles. Angew Chem Int Ed 55:14713–14717

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  • Bertini I, Luchinat C, Parigi G (2002) Magnetic susceptibility in paramagnetic NMR. Progr NMR Spectrosc 40:249–273

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  • Bertini I, Luchinat C, Parigi G, Ravera E (2017) NMR of paramagnetic molecules. Elsevier, Amsterdam

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  • Carlon A, Ravera E, Andralojc W, Parigi G, Murshudov GN, Luchinat C (2016) How to tackle protein structural data from solution and solid state: an integrated approach. Progr NMR Spectrosc 92-93:54–70

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  • Kurland RJ, McGarvey BR (1970) Isotropic NMR shifts in transition metal complexes: the calculation of the fermi contact and pseudocontact terms. J Magn Reson 2:286–301

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Author information

Authors and Affiliations

  1. Magnetic Resonance Center (CERM) and Department of Chemistry, University of Florence, Sesto Fiorentino, FI, Italy

    Giacomo Parigi

Authors
  1. Giacomo Parigi
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Corresponding author

Correspondence to Giacomo Parigi .

Editor information

Editors and Affiliations

  1. University Leicester MRC Centre, Leicester, United Kingdom

    Gordon Roberts

  2. Dept Biochemistry, University of Oxford, Oxford, United Kingdom

    Anthony Watts

Section Editor information

  1. No affiliation provided

    Mitsu Ikura

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© 2018 European Biophysical Societies' Association (EBSA)

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Parigi, G. (2018). Hyperfine Shifts. In: Roberts, G., Watts, A. (eds) Encyclopedia of Biophysics. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-35943-9_470-1

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  • DOI: https://doi.org/10.1007/978-3-642-35943-9_470-1

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  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-35943-9

  • Online ISBN: 978-3-642-35943-9

  • eBook Packages: Springer Reference Biomedicine and Life SciencesReference Module Biomedical and Life Sciences

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