Solution NMR of Paramagnetic Molecules

Solution NMR of Paramagnetic Molecules, 1st Edition

Applications to Metallobiomolecules and Models

Solution NMR of Paramagnetic Molecules, 1st Edition,Ivano Bertini,Claudio Luchinat,Giacomo Parigi,ISBN9780444205292

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Elsevier Science

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NMR is a growing technique which represents a generalized, spread, common tool for spectroscopy and for structural and dynamic investigation. Part of the field of competence of NMR is represented by molecules with unpaired electrons, which are called paramagnetic. The presence of unpaired electrons is at the same time a drawback (negative effect) and a precious source of information about structure and dynamics. New phenomena and effects are described which are due to the high magnetic fields and advances in the methodology. Solution NMR of Paramagnetic Molecules is unique in dealing with these matters. 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. The book's major theme is how to perform high resolution NMR experiments and how to obtain structural and dynamic information on paramagnetic metal ion containing systems.


For graduate students of chemistry, biochemistry and biophysics, moreover, chemists, biochemists, inorganic chemists, researchers interested in Spectroscopy and NMR who will encounter paramagnetic molecules in their research as a common event and will discover that the techniques here described are fundamental for their investigations. Teachers of graduate courses in biophysics and advanced inorganic chemistry may find part of the book suitable for the students.

Ivano Bertini

Ivano Bertini was born on December 6, 1940, in Pisa, Italy. He gained his Ph.D. at the University of Florence, Italy, in 1964 and the Libera Docenza in 1969. He became Full Professor of General and Inorganic Chemistry in 1975 at the University of Florence. In 1999, he founded the Magnetic Resonance Center (CERM) at the University of Florence, a major NMR infrastructure in the Life Sciences. Bertini's research focused on the structure-function relationship of metalloproteins, explored with biophysical methods. He is particularly known for using NMR spectroscopy and for pioneering the exploitation of genome data banks, most recently to identify pharmaceutical targets. He pursued advancements in technology for solution structure determination, particularly for paramagnetic metalloproteins, and developed specific software applications. Bertini published over 650 research articles and has solved more than 150 protein structures. He was also on the editorial staff or advisory board of over 20 journals in chemistry, biochemistry, and inorganic chemistry, including ChemBioChem, ChemMedChem, and the European Journal of Inorganic Chemistry Bertini passed away in 2012 while still fully scientifically active.

Affiliations and Expertise

Department of Chemistry, University of Florence, Italy

Claudio Luchinat

Claudio Luchinat, born in 1952, and is a Doctor in Chemistry cum laude at the University of Florence, Researcher at the University of Florence, full professor of Chemistry at the University of Bologna (1986-96) and Florence (1996-, CERM and Department of Chemistry). Luchinat won the Raffaello Nasini gold medal of the Italian Chemical Society, 1989; Federchimica award, 1994; European Medal for Biological Inorganic Chemistry, 1996; "GDRM gold medal for magnetic resonance", 2001. He is the author of about 550 publications in Bioinorganic Chemistry, NMR and Structural Biology, and of four books.

Affiliations and Expertise

University of Florence, Florence, Italy

Giacomo Parigi

Giacomo Parigi was born in 1967, and earned a degree in Physics cum laude at the University of Florence (1992) and PhD in Chemistry at the University of Florence. He was a Postdoctor, Researcher (1999-2006) and associate professor of Chemistry (2006-) at CERM, University of Florence. His research interests include nuclear and electron relaxation, paramagnetism-based effects in NMR, bioinformatics for structure calculations. He is co-editor with I. Bertini and K.S. McGreevy of the book "NMR of Biomolecules: Towards Mechanistic Systems Biology" Wiley-VCH (2012).

Affiliations and Expertise

University of Florence, Florence, Italy

Solution NMR of Paramagnetic Molecules, 1st Edition

Selected Contents.
Magnetic moments and magnetic fields.
About the spin moments.
Something more about the nuclear spin.
A lot more about the electron spin.
About the energies.
Magnetization and magnetic susceptibility.
The nuclear magnetic resonance experiment.

The hyperfine shift.
Nuclear hyperfine shift and relaxation.

The correlation time.

Chemical exchange, chemical equilibria and dynamics.
A pictorial view of chemical exchange.

Transition metal ions: shift and relaxation.

Magnetic coupled systems.
The induced magnetic moment per metal ion in polymetallic systems and the hyperfine contact shift.

Nuclear Overhauser effect.

Two-dimensional spectra and beyond.
The EXSY experiment.

Hints on experimental techniques.
How to record 1D NMR spectra of paramagnetic molecules.

Appendix I NMR properties of nuclei. Appendix II Dipolar coupling between two spins. Appendix III Derivation of the equations for contact shift and relaxation in a simple case. Appendix IV Derivation of pseudocontact shift in the case of axial symmetry. Appendix V Relaxation by dipolar interaction between two spins. Appendix VI Calculation of (Sz): Curie's law. Appendix VII Derivation of the equations related to NOE. Appendix VIII Magnetically coupled dimers in the high-temperature limit. Appendix IX Product operators: basic tools. Appendix X Reference tables. Subject index.
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