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NMR of Paramagnetic Molecules, Volume 2 - 2nd Edition

Subject ISBN Author Publisher Number of Pages Title Year Price
Physics and Astronomy 9780444634368 Ivano Bertini, Claudio Luchinat, Giacomo Parigi, Enrico Ravera Elsevier 508 NMR of Paramagnetic Molecules, Volume 2 - 2nd Edition 2017 $ 200.00
Author: Ivano Bertini, Claudio Luchinat, Giacomo Parigi, Enrico Ravera
Description: NMR of Paramagnetic Molecules: Applications to Metallobiomolecules and Models, Second Edition is a self-contained, comprehensive reference for chemists, physicists, and life scientists whose research involves analyzing paramagnetic compounds. Since the previous edition of this book was published, there have been many advancements in the field of paramagnetic NMR spectroscopy. This completely updated and expanded edition contains the latest fundamental theory and methods for mastery of this analytical technique. Users will learn how to interpret the NMR spectra of paramagnetic molecules, improve experimental techniques, and strengthen their understanding of the underlying theory and applications.
Table of Content: • Preface • Chapter 1: Introduction o 1.1. Magnetic moments and magnetic fields o 1.2. About the spin moments o 1.3. Something more about the nuclear spin o 1.4. A lot more about the electron spin o 1.5. About the energies o 1.6. Magnetization and magnetic susceptibility o 1.7. The nuclear magnetic resonance experiment • Chapter 2: The hyperfine shift o 2.1. Nuclear hyperfine shift and relaxation o 2.2. The magnetic nucleus–unpaired electron interaction: the hyperfine shift o 2.3. Shift and spin patterns for protons and deuterons in solution o 2.4. Proton hyperfine coupling and conformation o 2.5. The origin of the shifts in heteronuclei o 2.6. When is metal-centered pseudocontact shift expected? o 2.7. Attempts to separate contact and pseudocontact shifts o 2.8. Prediction of hyperfine shifts • Chapter 3: The effect of partial orientation: residual dipolar couplings o 3.1. Partial orientation effects on nucleus-nucleus dipolar coupling o 3.2. The magnetic field induced order o 3.3. Paramagnetic metal ions and residual dipolar couplings o 3.4. Residual dipolar couplings in the presence of diamagnetic and paramagnetic anisotropy o 3.5. Partial orientation effects on the dipolar and contact shifts • Chapter 4: Relaxation o 4.1. Introduction o 4.2. The correlation time o 4.3. Electron relaxation o 4.4. Nuclear relaxation due to dipolar coupling with unpaired electrons o 4.5. Nuclear relaxation due to contact coupling with unpaired electrons o 4.6. Curie nuclear spin relaxation o 4.7. Further electronic effects on nuclear relaxation o 4.8. A comparison of dipolar, contact, and Curie nuclear spin relaxation o 4.9. Cross correlation effects o 4.10. Nuclear parameters and relaxation o 4.11. The effect of temperature on the electron-nucleus spin interaction o 4.12. Stable free radicals o 4.13. Redfield limit and beyond o 4.14. The nuclear Overhauser effect o 4.15. Overhauser DNP • Chapter 5: High resolution solid-state NMR in paramagnetic molecules o 5.1. Nuclear interactions in solid-state NMR: static and MAS o 5.2. NMR spectra of paramagnetic complexes in the solid state • Chapter 6: Chemical exchange, chemical equilibria, and dynamics o 6.1. Introduction o 6.2. A pictorial view of chemical exchange o 6.3. NMR parameters in the presence of exchange o 6.4. Equilibrium Constants o 6.5. τM as correlation time o 6.6. Beyond the concept of binding site: outer sphere relaxation o 6.7. Solvent relaxivity and its information content o 6.8. Bulk susceptibility shift • Chapter 7: Transition metal ions: shift and relaxation o 7.1. An overview of the electronic properties of transition metal ions o 7.2. A quick summary of first row transition metal ions o 7.3. Properties of paramagnetic ions sorted by electron configuration • Chapter 8: Lanthanoids and actinoids: shift and relaxation o 8.1. Electronic properties o 8.2. The pseudocontact contribution to the hyperfine shifts o 8.3. The contact contribution to the hyperfine shifts o 8.4. Analysis of the hyperfine shifts o 8.5. Nuclear spin relaxation o 8.6. Gadolinium o 8.7. Europium(II) o 8.8. Other lanthanoids • Chapter 9: Paramagnetic restraints for structure and dynamics of biomolecules o 9.1. Why using paramagnetic restraints for structural biology studies? o 9.2. Nuclear relaxation parameters and structural information o 9.3. Hyperfine shifts and structural information o 9.4. Paramagnetic residual dipolar couplings and structural information o 9.5. Protocols for structural determination through paramagnetic data o 9.6. Average data in the presence of conformational variability o 9.7. Tagged proteins o 9.8. Structural information from pseudocontact shifts in the solid state o Web sites of main programs for the use of paramagnetic restraints for structure and dynamics • Chapter 10: Relaxometry and contrast agents for MRI o 10.1. Introduction o 10.2. Relaxivity and relaxation profiles o 10.3. The ideal contrast agent o 10.4. NMRD-derived parameters o 10.5. NMRD profiles of contrast agents o 10.6. Nanosystems o 10.7. Toward molecular imaging o 10.8. Superparamagnetism o 10.9. Chemical exchange saturation transfer (CEST) • Chapter 11: Magnetic coupled systems o 11.1. The induced magnetic moment per metal ion in polymetallic systems, the hyperfine contact shift, and the nuclear relaxation rates o 11.2. Electron relaxation and magnetic coupling o 11.3. NMR of dimetallic systems o 11.4. Beyond the Redfield limit: |J|/ħ > o 11.5. Polymetallic systems • Chapter 12: Hints on experimental techniques o 12.1. How to record 1D NMR spectra of paramagnetic molecules o 12.2. Measurements of Nuclear Overhauser Effect (NOE) o 12.3. ND Spectroscopy o 12.4. Collecting paramagnetic restraints in biomolecules o 12.5. Nuclear magnetic relaxation dispersion (NMRD) • 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 the pseudocontact shift equations in different forms • Appendix V: Relaxation by dipolar interaction between two spins • Appendix VI: Calculation of 〈Sz〉: Curies law • Appendix VII: Derivation of the equations related to NOE • Appendix VIII: Magnetically coupled dimers in the high-temperature limit • Appendix IX: Reference tables • Index

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