Nuclear Magnetic Resonance

Chapter 1: NMR Books and Reviews;

1: Books;

2: Regular Reviews Series;

3: Edited Books and Symposia;

4: Reviews in Periodicals;

5: Reviews and Books in Foreign Languages;

Chapter 2: Theoretical and Physical Aspects of Nuclear Shielding;

1: Theoretical Aspects of Nuclear Shielding;

1.1: General Theory;

1.2: Ab initio and DFT Calculations;

2: Physical Aspects of Nuclear Shielding;

2.1: Anisotropy of the Shielding Tensor;

2.2: Shielding Surfaces and Rovibrational Averaging;

2.3:Isotope Shifts;

2.4: Intermolecular Effects on Nuclear Shielding;

2.5: Absolute Shielding Scales;

References;

Chapter 3: Application of Nuclear Shielding;

1: Introduction;

2: Shielding of Particular Nuclear Species;

2.1: Group 1 (1H, 2H, 6,7Li, 23Na, 39K, 87Rb, 133Cs);

2.2: Group 2 (9Be, 25Mg, 87Sr, 137Ba);

2.3: Group 3 (45Sc, 89Y, 139La, 171Yb, 235U);

2.4: Group 4 (47,49Ti, 91Zr);

2.5: Group 5 (51V and 93Nb);

2.6: Group 6 (53Cr, 95Mo, 183W);

2.7: Group 7 (55Mn, 99Tc);

2.8: Group 8 (57Fe, 99Ru);

2.9: Group 9 (59Co, 103Rh);

2.10: Group 10 (195Pt);

2.11: Group 11 (63Cu, 107,109Ag);

2.12: Group 12 (67Zn, 111,113Cd, 199Hg);

2.13: Group 13 (11B, 27Al, 205Tl);

2.14: Group 14 (13C, 29Si, 73Ge, 117,119Sn, 207Pb);

2.15: Group 15 (14,15N, 31P);

2.16: Group 16 (17O, 33S, 77Se, 125Te);

2.17: Group 17 (19F, 35,37Cl);

2.18: Group 18 (3He, 129Xe);

References;

Chapter 4: Theoretical Aspects of Spin-Spin Couplings;

1: Introduction;

2: Relativistic Calculation of Nuclear Spin-Spin Couplings;

3: Decomposition of Nuclear Spin-Spin Coupling Constants into Orbital Contributions;

4: Ab initio Calculation;

4.1: Fourier Analysis;

4.2: One-bond Coupling Constants in Monomers and Hydrogen-bonded Complexes;

4.3: A Factorial Design Analysis of Wave Functions to be Used;

4.4: Solvent Effects on the Spin-Spin Coupling Constants of Acetylene;

4.5: Non-empirical Calculations of Carbon-Carbon Coupling Constants in Alkanes;

5: Density Functional Theory Calculations of Spin-Spin Coupling Constants;

5.1: H-D Coupling Constants in Heavy Metal Dihydrogen and Dihydride Complexes;

5.2: Calculations of Nuclear Spin-Spin Coupling Constants in Large Molecules;

5.3: Heteronuclear Spin-Spin Coupling Constants;

5.4: The Performance of New Exchange-Correlation Functionals;

5.5: The Temperature Dependence of the H-D Spin-Spin Coupling Constant;

5.6: Nuclear Spin-Spin Coupling Constants Including Phosphorus;

5.7: Substituent Effects on Spin-Spin Coupling Constants;

5.8: Anomeric Effect and Conformational Analysis;

5.9: Spin-Spin Couplings of Hydrogen-bonded Nuclei;

6: Other Works;

6.1: Empirical and Semiempirical Calculations;

6.2: The Absolute Sign of Coupling Constants;

6.3: Conformational Analysis;

References;

Chapter 5: Applications of Spin-Spin Couplings;

1: Introduction;

2: New Methods;

3: One-bond Couplings to Hydrogen;

4: One-bond Couplings not Involving Hydrogen;

5: Two-bond Couplings to Hydrogen;

6: Two-bond Couplings not Involving Hydrogen;

7: Three-bond Hydrogen-Hydrogen Couplings;

8: Three-bond Couplings to Hydrogen;

9: Three-bond Couplings not Involving Hydrogen;

10: Couplings over More than Three Bonds and Through Space;

11: Couplings Through Hydrogen Bonds;

12: Residual Dipolar Couplings;

References;

Chapter 6: Nuclear Spin Relaxation in Liquids and Gases;

1: Introduction;

2: General, Physical and Experimental Aspects of Nuclear Spin Relaxation;

2.1: General Aspects;

2.2: Experimental Aspects;

2.3: Relaxation in Coupled Spin Systems;

2.4: Dipolar Couplings and Distance Information;

2.5: Exchange Spectroscopy;

2.6: Radiation Damping;

2.7: Quadrupolar Interactions;

2.8: Intermolecular Dipolar Interaction in Diamagnetic and Paramagnetic Solution;

2.9: Slow Motions in Glasses;

2.10: Models for Molecular Dynamics;

3: Selected Applications of Nuclear Spin Relaxation;

3.1 : Pure Liquids ;

3.2 : Non-electrolyte Solutions ;

3.3: Electrolyte Solutions;

3.4: Molten Salts;

4: Nuclear Spin Relaxation in Gases;

5: Self-diffusion in Liquids;

5.1: Experimental and Theoretical Aspects;

5.2: Selected Examples;

References;

Chapter 7: Solid State NMR Spectroscopy;

1: Introduction;

2: Reviews and Introductory Articles;

3: Experimental Developments;

3.1: Proton NMR;

3.2: Decoupling;

3.3: Cross-polarisation and Polarisation Transfer;

3.4: 2D Techniques;

3.5: Quadrupolar Nuclei;

3.6: Other Experiments;

3.7: Instrumental Developments;

4: NMR Parameters: Experimental and Theoretical Studies;

4.1: Spin ¢ Nuclei;

4.2: Quadrupolar Nuclei;

5: Applications;

5.1: Organic Solids;

5.2: Amino Acids;

5.3: Peptides and Proteins;

5.4: Lipids and Membranes;

5.5: Pharmaceutical and Biomedical Applications;

5.6: Cellulose and Related Materials;

5.7: Soils and Related Materials;

5.8: Coals and Carbonaceous Materials;

5.9: Polymers;

5.10: Organometallic and Coordination Compounds;

5.11: Glasses and Amorphous Solids;

5.12: Microporus Solids and Related Materials;

5.13: Surface Science and Catalysis;

5.14: Inorganic and Other Related Solids;

References;

Chapter 8: Multiple Pulse NMR;

1: Introduction;

2: General Methods and Theoretical Developments;

3: Fast Multidimensional Methods;

3.1: Reduced Sampling;

3.2: Reduced Dimensionality;

3.3: Using Multidimensional Projections;

3.4: Small Molecules;

4: Relaxation and Diffusion;

4.1: Measurement of Chemical Exchange Contribution;

4.2: Cross-correlated Relaxation Experiments;

4.3: Diffusion Experiments;

5: Coupling Constants Measurements;

5.1: Scalar Couplings;

5.2: Residual Dipolar Couplings;

6: Homonuclear Spectroscopy;

7: Inverse Proton Detected Correlation Spectroscopy;

7.1: Double-resonance Experiments;

7.2: Heteronuclear Triple Resonance Experiments;

References;

Chapter 9: NMR of Proteins and Nucleic Acids;

1: Introduction;

2: New Methodology;

2.1: Automated Analysis;

2.2: Dipolar Couplings;

2.3: TROSY-based Techniques;

2.4: NMR-based Screening;

3 : Macromolecular Structures ;

3.1 : Membrane Proteins ;

3.2 : Macromolecular Complexes ;

4: Protein Folding;

References;

Chapter 10: NMR of Carbohydrates, Lipids and Membranes;

1: Introduction;

2:Methods in NMR Spectroscopy, Computational Methods and Databases;

3: Cyclodextrins and Other Inclusion Complexes for Drug Delivery;

4: Protein-Carbohydrate Interactions;

5: Synthetic Targets;

6: Surfactants;

7: Glycolipids, Lipoproteins and Metabonomics;

8: Membrane Interactions;

9: Plant and Microorganism Natural Products and Enzymes;

10: Other Enzyme Studies;

References;

Chapter 11: Synthetic Macromolecules;

1: Introduction;

2: Primary Structure;

3: Liquid Crystalline Polymers;

4: Imaging;

5: Characterization of the Synthetic Macromolecules;

6: Polymer Blend of the Synthetic Macromolecules;

7: Dynamics of the Synthetic Macromolecules;

References;

Chapter 12: NMR in Living Systems;

1: General Applications and Methodologies;

1.1: Relaxation and Diffusion;

1.2: Metabolites, pH and Ions;

1.3: Spectral Techniques;

2: Cells;

2.1: Bacteria;

2.2: Blood;

2.3: Tumour;

2.4: Yeast and Fungi;

3: Plants;

3.1: Plant Tissues;

3.2: Plant Cells;

4: Tissues;

4.1: Brain;

4.2: Eye;

4.3: Heart;

4.4:Liver;

4.5: Tumour;

4.6: Whole Organisms;

5: Clinical Studies;

5.1: Reviews;

5.2: CNS;

5.3: Diabetes;

5.4: Liver;

5.5: Muscle;

5.6: Reproductive;

References;

Chapter 13: Nuclear Magnetic Resonance Imaging;

1: Introduction;

2: Nobel Lecture and Reviews;

3: Instruments and Materials;

3.1: Imaging System;

3.2: Probe, Resonator, Coil and Tranceiver;

3.3: Tunable Fiber Laser for Polarized gases;

3.4: High Temperature Systems;

4: Pulse Sequences and Data Processing;

4.1: Pulse Sequences;

4.2: Data Processing;

5: Hyperpolarized Noble Gases, Gas Phase Imaging and Nanopore Microstructure;

5.1: Reviews;

5.2: Hyperpolarized Xe Ice and Xe Complex;

5.3: Imaging via Xe Gas;

5.4: Application to Brain and Lung;

6: Dynamics - Flow, Dispersion and Velocity Imaging;

6.1: Velocimetry;

6.2: Gas Flow;

6.3: Flow in Gel Suspensions;

6.4: Dispersion in Porous Media and Reactor;

6.5: Steady State Flow in Porous Media;

7: Polymer;

7.1: Characterization;

7.2: Process Analysis - Desiccation;

7.3: Process Analysis - Water Absorption;

7.4: Process Analysis - Diffusion;

7.5: Polymer Gel - Structure;

7.6: Tablet Disintegration, Swelling, Drug Release;

7.7: Elastgraphy;

8: Chemical Engineering and Industrial Application;

8.1: Process Analysis - Drying Process;

8.2: Water Diffusion and Hydration;

8.3: Drop Freezing Process;

8.4: Suspension in Gas Flow;

8.5: Asphalts;

8.6: Dispersion, Distribution, Transport Process;

8.7: Kinetics;

9: Plant;

10: Food;

10.1: Review;

10.2: Moisture Migration;

10.3: Rice Cooking;

10.4: Dough;

10.5: Viscosity of Milk;

10.6: Fruits and Vegetables;

11: Contrast Agent;

11.1: Review;

11.2: New Nanoparticulate Contrast Agent;

11.3: Molecular Imaging;

11.4: Tunable Imaging;

11.5: Monitoring Liver Iron Content;

11.6: Mn-enhanced MRI;

12: Ex Vivo;

12.1: Cartilage;

12.2: Apoptosis;

12.3: Novel Drug Development;

13: In Vivo Application;

13.1: Reviews;

13.2: High Field CSL;

13.3: Angeogenesis in Brain;

13.4: Perfusion;

13.5: Diffusion, Flow and Permeation;

13.6: Oxidative Metabolite and Stress;

13.7: Transplanted Stem Cell;

References;

Chapter 14: Oriented Molecules;

1: Introduction;

2: Reviews, Theory and General Studies;

3: New Techniques;

4: Dynamic NMR Studies;

5: Chiral, Smectic, Lyotropic and Polymeric Systems;

6: Relaxation Studies;

7: Orientational Order in Liquid Crystals;

8: Membranes and Molecules Oriented Therein;

9: Structure and Orientation of Small Molecules;

10: Quantum Computing;

11: Weak Ordering and Biomolecular Studies;

11.1: Revies and General Studies;

11.2: Orienting Media;

11.3: New Experimental Methodologies;

11.4: New Pulse Schemes;

11.5: Computational Methods;

11.6: Structure, Conformation, Orientation and Dynamic Studies;

References;

Chapter 15: NMR of Liquid Crystals and Micellar Solutions;

1: Introduction;

2: General Articles: Reviews, Methods, Models;

2.1: Droplet Sizing in Emulsions;

3: Liquid Crystals;

3.1: Thermotropic Liquid Crystals;

3.2: Lyotropic Liquid Crystals;

4: Micellar Solutions;

4.1: Micelles in Amphiphile-Solvent Systems;

4.2: Solubilization, Microemulsions and Emulsions;

References