The first-principles approach for the analysis of pseudocontact shifts (PCSs) is questioned by comparing the experimental g values of copper(II) proteins with those derived from the anisotropy tensor obtained from the PCSs. Read More
An integrated approach which combines in-cell NMR spectroscopy with optical and X-ray fluorescence microscopy was developed to describe the intracellular maturation state of human Cu,Zn-SOD1. Read More
Structural and biophysical evidences define the early steps of iron-sulfur protein maturation in the cytosol, demonstrating that glutaredoxin-3 passes [2Fe-2S] clusters to anamorsin during a protein-protein interaction mediated by their N-terminal domains. Read More
Dynamic nuclear polarization (DNP) in liquid solutions can enhance 13C NMR signals at magnetic fields of 3 T and room temperature up to three orders of magnitude. Read More Highlighted in Angewandte Chemie
CERM research on covers
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Aggregation kinetics of the Aβ1–40 peptide monitored by NMR, Chem. Commun., 54, 7601-7604, 2018 |
Protein networks in the maturation of human iron-sulfur proteins, Metallomics, 10, 49-72, 2018 | High relaxivity Gd(III)-DNA gold nanostars: investigation of shape effects on proton relaxation, ACS nano, 9, 3385–3396, 2015 | Exploring regions of conformational space occupied by two-domain proteins, J.Phys.Chem.B, 118, 10576-10587, 2014 |
Solution NMR of Paramagnetic Molecules
Applications to Metallobiomolecules and Models
Current Methods in Inorganic Chemistry
Elesevier, Amsterdam, 2001
The book presents the basic theory of the unpaired electron-nucleus coupling and the consequences on nuclear chemical shift and relaxation. The types of information obtained from the various metal ions containing molecules are discussed. One and two dimension NMR experiments for paramagnetic molecules and biomolecules are analysed. Perspectives on the exploitation of partial alignment and cross correlation effects are provided.
Contents:
1. Introduction
2. The Hyperfine Shift
3. Relaxation
4. Chemical Exchange, Chemical Equilibria and Dynamics
5. Transition Metal Ions: Shift and Relaxation
6. Magnetic Coupled Systems
7. Nuclear Overhauser Effect
8. Two-Dimensional Spectra and Beyond
9. Hints on Experimental Techniques
Appendices
From the Preface:
"Applications of NMR to paramagnetic molecules and biomolecules in solution have grown in both number and sophistication as the technology of the instruments has improved. They now represent a respectable share of all NMR activity. For these NMR experiments, the general theory of NMR must be understood and, on top of this, the theory of the electron-nucleus interaction and its consequences for the NMR parameters. Therefore, the field of NMR of paramagnetic molecules has its own niche in the entire scientific panorama. The authors aim to privide an up-to-date report on the state of the field."
The scope is that of presenting a complete description, which is both rigorous and pictorial, of theory and experiments of NMR of paramagnetic molecules in solution. Pertinent examples are described. From the time dependent behaviour of electrons in the various metal ions including polimetallic systems to the hyperfine-based information, and from NMR experiments to constraints for solution structure determination.
Emphasis is given to homocorrelated 1H-1H spectroscopies because the adverse effects of paramagnetism are maximal for protons, due to their largest magnetogyric ratio.
Programs referred in the book (FANTASIAN, NMRD, PSEUDYANA) are available at here.