Encyclopedia of Biophysics

Living Edition
| Editors: Gordon Roberts, Anthony Watts, European Biophysical Societies

Hyperfine Shifts

  • Giacomo Parigi
Living reference work entry
DOI: https://doi.org/10.1007/978-3-642-35943-9_470-1

Synonyms

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

  1. 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 55:14713–14717CrossRefGoogle Scholar
  2. Bertini I, Luchinat C, Parigi G (2002) Magnetic susceptibility in paramagnetic NMR. Progr NMR Spectrosc 40:249–273CrossRefGoogle Scholar
  3. Bertini I, Luchinat C, Parigi G, Ravera E (2017) NMR of paramagnetic molecules. Elsevier, AmsterdamGoogle Scholar
  4. 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 92-93:54–70CrossRefGoogle Scholar
  5. Kurland RJ, McGarvey BR (1970) Isotropic NMR shifts in transition metal complexes: the calculation of the fermi contact and pseudocontact terms. J Magn Reson 2:286–301Google Scholar

Copyright information

© European Biophysical Societies' Association (EBSA) 2018

Authors and Affiliations

  1. 1.Magnetic Resonance Center (CERM) and Department of ChemistryUniversity of FlorenceSesto FiorentinoItaly

Section editors and affiliations

  • Mitsu Ikura

There are no affiliations available