Magnetic resonance Books

Book SynopsisNuclear Magnetic Resonance offers an accessible introduction to the physical principles of liquid-state NMR, with examples, applications, and exercises provided throughout to enable beginning undergraduates to get to grips with this important analytical technique.Trade ReviewThis book is indisputably a must have for any student, or even teacher, in the field of nuclear magnetic resonance. It is a perfect format for preparing readers for more advanced studies on the topic. Theoretical explanations are illustrated by many examples and applications, and this second edition has been completed with a series of exercises. * Sabine Bouguet-Bonnet, Universite de Lorraine, J. Appl. Cryst. (2017). 50, 1243 *This primer fully deserves to be widely adopted by students (and teachers) of NMR spectroscopy. This book is a complete and very accessible tool for understanding the origin and significance of the basic NMR parameters. * Sabine Bouguet-Bonnet, Universite de Lorraine, J. Appl. Cryst. (2017). 50, 1243 *Table of Contents1. Introduction ; 2. Chemical shifts ; 3. Spin-spin coupling ; 4. Chemical exchange ; 5. Spin relaxation ; 6. NMR experiments

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Book SynopsisSpin Dynamics: Basics of Nuclear Magnetic Resonance, Second Edition is a comprehensive and modern introduction which focuses on those essential principles and concepts needed for a thorough understanding of the subject, rather than the practical aspects.Trade Review?What makes this book stand out compared to similar books is the extensive use of pictures and diagrams, which will make this book more appealing to nonphysicists, like chemists and biologists. That this was achieved without loss of rigor is indeed an accomplishment.? ( Doody?s Reviews , November 2009)Table of ContentsPreface. Preface to the First Edition. Introduction. Part 1 Nuclear Magnetism. 1 Matter. 1.1 Atoms and Nuclei. 1.2 Spin. 1.3 Nuclei. 1.4 Nuclear Spin. 1.5 Atomic and Molecular Structure. 1.6 States of Matter. Notes. Further Reading. Exercises. 2 Magnetism. 2.1 The Electromagnetic Field. 2.2 Macroscopic Magnetism. 2.3 Microscopic Magnetism. 2.4 Spin Precession. 2.5 Larmor Frequency. 2.6 Spin-Lattice Relaxation: Nuclear Paramagnetism. 2.7 Transverse Magnetization and Transverse Relaxation. 2.8 NMR Signal. 2.9 Electronic Magnetism. Notes. Further Reading. Exercises. 3 NMR Spectroscopy. 3.1 A Simple Pulse Sequence. 3.2 A Simple Spectrum. 3.4 Relative Spectral Frequencies: Case of Positive Gyromagnetic Ratio. 3.5 Relative Spectral Frequencies: Case of Negative Gyromagnetic Ratio. 3.6 Inhomogeneous Broadening. 3.7 Chemical Shifts. 3.8 J-Coupling Multiplets. 3.9 Heteronuclear Decoupling. Notes. Further Reading. Exercises. Part 2 The NMR Experiment. 4 The NMR Spectrometer. 4.1 The Magnet. 4.2 The Transmitter Section. 4.3 The Duplexer. 4.4 The Probe. 4.5 The Receiver Section. 4.6 Overview of the Radio-Frequency Section. 4.7 Pulsed Field Gradients. Notes. Further Reading. 5 Fourier Transform NMR. 5.1 A Single-Pulse Experiment. 5.2 Signal Averaging. 5.3 Multiple-Pulse Experiments: Phase Cycling. 5.4 Heteronuclear Experiments. 5.5 Pulsed Field Gradient Sequences. 5.6 Arrayed Experiments. 5.7 NMR Signal. 5.8 NMR Spectrum. 5.9 Two-Dimensional Spectroscopy. 5.10 Three-Dimensional Spectroscopy. Part 3 Quantum Mechanics. 6 Mathematical Techniques. 6.1 Functions. 6.2 Operators. 6.3 Eigenfunctions, Eigenvalues and Eigenvectors. 6.4 Diagonalization. 6.5 Exponential Operators. 6.6 Cyclic Commutation. Notes. Further Reading. Exercises. 7 Review of Quantum Mechanics. 7.1 Spinless Quantum Mechanics. 7.2 Energy Levels. 7.3 Natural Units. 7.4 Superposition States and Stationary States. 7.5 Conservation Laws. 7.6 Angular Momentum. 7.7 Spin. 7.8 Spin-1/2. 7.9 Higher Spin. Notes. Further Reading. Exercises. Part 4 Nuclear Spin Interactions. 8 Nuclear Spin Hamiltonian. 8.1 Spin Hamiltonian Hypothesis. 8.2 Electromagnetic Interactions. 8.3 External and Internal Spin Interactions. 8.4 External Magnetic Fields. 8.5 Internal Spin Hamiltonian. 8.6 Motional Averaging. Notes. Further Reading. Exercises. 9 Internal Spin Interactions. 9.1 Chemical Shift. 9.2 Electric Quadrupole Coupling. 9.3 Direct Dipole-Dipole Coupling. 9.4 J-Coupling. 9.5 Spin-Rotation Interaction. 9.6 Summary of the Spin Hamiltonian Terms. Notes. Further Reading. Exercises. Part 5 Uncoupled Spins. 10 Single Spin-1/2. 10.1 Zeeman Eigenstates. 10.2 Measurement of Angular Momentum: Quantum Indeterminacy. 10.3 Energy Levels. 10.4 Superposition States. 10.5 Spin Precession. 10.6 Rotating Frame. 10.7 Precession in the Rotating Frame. 10.8 Radio-Frequency Pulse. Notes. Further Reading. Exercises. 11 Ensemble of Spins-1/2. 11.1 Spin Density Operator. 11.2 Populations and Coherences. 11.3 Thermal Equilibrium. 11.4 Rotating-Frame Density Operator. 11.5 Magnetization Vector. 11.6 Strong Radio-Frequency Pulse. 11.7 Free Precession Without Relaxation. 11.8 Operator Transformations. 11.9 Free Evolution with Relaxation. 11.10 Magnetization Vector Trajectories. 11.11 NMR Signal and NMR Spectrum. 11.12 Single-Pulse Spectra. Notes. Further Reading. Exercises. 12 Experiments on Non-Interacting Spins-1/2. 12.1 Inversion Recovery: Measurement of T1. 12.2 Spin Echoes: Measurement of T2. 12.3 Spin Locking: Measurement of T1ˆ. 12.4 Gradient Echoes. 12.5 Slice Selection. 12.6 NMR Imaging. Notes. Further Reading. Exercises. 13 Quadrupolar Nuclei. 13.1 Spin I = 1. 13.2 Spin I = 3/2. 13.3 Spin I = 5/2. 13.4 Spins I = 7/2. 13.5 Spins I = 9/2. Notes. Further Reading. Exercises. Part 6 Coupled Spins. 14 Spin-1/2 Pairs. 14.1 Coupling Regimes. 14.2 Zeeman Product States and Superposition States. 14.3 Spin-Pair Hamiltonian. 14.4 Pairs of Magnetically Equivalent Spins. 14.5 Weakly Coupled Spin Pairs. Notes. Further Reading. Exercises. 15 Homonuclear AX System. 15.1 Eigenstates and Energy Levels. 15.2 Density Operator. 15.3 Rotating Frame. 15.4 Free Evolution. 15.5 Spectrum of the AX System: Spin-Spin Splitting. 15.6 Product Operators. 15.7 Thermal Equilibrium. 15.8 Radio-Frequency Pulses. 15.9 Free Evolution of the Product Operators. 15.10 Spin Echo Sandwich. Notes. Further Reading. Exercises. 16 Experiments on AX Systems. 16.1 COSY. 16.2 INADEQUATE. 16.3 INEPT. 16.4 Residual Dipolar Couplings. Notes. Further Reading. Exercises. 17 Many-Spin Systems. 17.1 Molecular Spin System. 17.2 Spin Ensemble. 17.3 Motionally Suppressed J-Couplings. 17.4 Chemical Equivalence. 17.5 Magnetic Equivalence. 17.6 Weak Coupling. 17.7 Heteronuclear Spin Systems. 17.8 Alphabet Notation. 17.9 Spin Coupling Topologies. Notes. Further Reading. Exercises. 18 Many-Spin Dynamics. 18.1 Spin Hamiltonian. 18.2 Energy Eigenstates. 18.3 Superposition States. 18.4 Spin Density Operator. 18.5 Populations and Coherences. 18.6 NMR Spectra. 18.7 Many-Spin Product Operators. 18.8 Thermal Equilibrium. 18.9 Radio-Frequency Pulses. 18.10 Free Precession. 18.11 Spin Echo Sandwiches. 18.12 INEPT in an I2S System. 18.13 COSY in Multiple-Spin Systems. 18.14 TOCSY. Notes. Further Reading Exercises. Part 7 Motion and Relaxation. 19 Motion. 19.1 Motional Processes. 19.2 Motional Time-Scales. 19.3 Motional Effects. 19.4 Motional Averaging. 19.5 Motional Lineshapes and Two-Site Exchange. 19.6 Sample Spinning. 19.7 Longitudinal Magnetization Exchange. 19.8 Diffusion. Notes. Further Reading. Exercises. 20 Relaxation. 20.1 Types of Relaxation. 20.2 Relaxation Mechanisms. 20.3 Random Field Relaxation. 20.4 Dipole-Dipole Relaxation. 20.5 Steady-State Nuclear Overhauser Effect. 20.6 NOESY. 20.7 ROESY. 20.8 Cross-Correlated Relaxation. Notes. Further Reading. Exercises. Appendices. Appendix A. A.1 Euler Angles and Frame Transformations. A.2 Rotations and Cyclic Commutation. A.3 Rotation Sandwiches. A.4 Spin-1/2 Rotation Operators. A.5 Quadrature Detection and Spin Coherences. A.6 Secular Approximation. A.7 Quadrupolar Interaction. A.8 Strong Coupling. A.9 J-Couplings and Magnetic Equivalence. A.10 Spin Echo Sandwiches. A.11 Phase Cycling. A.12 Coherence Selection by Pulsed Field Gradients. A.13 Bloch Equations. A.14 Chemical Exchange. A.15 Solomon Equations. A.16 Cross-Relaxation Dynamics. Notes. Further Reading. Appendix B. B.1 Symbols and Abbreviations. B.2 Answers to the Exercises.

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Book SynopsisMagnetic resonance has long demonstrated its tremendous versatility in many areas of science. Nowhere has this been more apparent than in food science, where problems encountered in a variety of situations can be resolved using one of the many techniques available to the magnetic resonance practitioner. From structural studies and investigations of molecules in frozen sugar solutions, to identifying the origins of salmon and detecting free radicals in irradiated food, magnetic resonance techniques can provide useful information. Divided into four sections entitled A View Towards the Next Century; Food Safety and Health; Structure and Dynamics; and Analysis, Monitoring and Authentication, the book consists of top quality contributions from renowned international scientists, and looks at what magnetic resonance techniques can offer both now and in the future. Offering state-of-the-art material, Magnetic Resonance in Food Science: A View to the Future is essential reading for both academiTrade Review"... a valuable addition to the literature. It should be of great use in research, tertiary education and industrial situations and is highly recommended." * Food Australia, 55, (1, 2) January/February 2003, p 53 *Table of ContentsA View Towards The Next Century; Food Safety and Health; Structure and Dynamics; Analysis, Monitoring and Authentication; Subject Index.

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Book SynopsisThis textbook is designed for graduate students to introduce the basic concepts of Nuclear Magnetic Resonance spectroscopy (NMR), spectral analysis and modern developments such as multidimensional NMR, in reasonable detail and rigor. The book is self-contained, so, a unique textbook in that sense with end of chapter exercises included supported by a solution manual. Some of the advanced topics are included as Appendices for quick reference. Students of chemistry who have some exposure to mathematics and physics will benefit from this book and it will prepare them to pursue research in different branches of Chemistry or Biophysics or Structural Biology.​Table of ContentsChapter-1: BASIC CONCEPTS 1.1 Nuclear Spin and Magnetic Moments 1.2 Nuclear Spins in a Magnetic Field 1.3 Spin Lattice Relaxation 1.4 Spin temperature 1.5 Resonance Absorption of Energy and The NMR Experiment 1.5.1. The basic NMR spectrometer 1.6 Kinetics of Resonance Absorption 1.7 Selection Rules 1.8 Line widths 1.9 Bloch equations 1.10 More about relaxation 1.11 Sensitivity EXERCISES CHAPTER 2: HIGH RESOLUTION NMR SPECTRA OF MOLECULES 2.1 Introduction 2.2 Chemical Shift 2.2.1 Anisotropy of chemical shifts 2.2.2 Factors Influencing Isotropic Chemical shifts 2.3 Spin-Spin Coupling 2.4 Analysis of NMR spectra of molecules 2.4.1 First Order Analysis 2.4.2 Quantum Mechanical Analysis 2.5 Dynamic Effects in the NMR spectra 2.5.1 Two site Chemical Exchange 2.5.2. Collapse of spin multiplets 2.5.3 Conformational Averaging of J- values EXERCISES CHAPTER 3: FOURIER TRANSFORM NMR 3.1 Introduction 3.2 Principles of Fourier transform NMR 3.3 Theorems on Fourier transforms 3.4 The FTNMR Spectrometer 3.5. Practical aspects of recording FTNMR spectra 3.5.1. Carrier Frequency and off-set 3.5.2. RF pulse 3.5.3. Free Induction Decay (FID) and the spectrum 3.5.4. Single channel and quadrature detection 3.5.5. Signal digitization and sampling 3.5.6. Folding of signals 3.5.7. Acquisition time and the resolution 3.5.8. Signal averaging and Pulse repetition rate 3.6. Data processing in FT NMR 3.6.1. Zero filling 3.6.2. Digital filtration or window multiplication or apodization 3.7 Phase correction 3.8. Dynamic range in FTNMR 3.9. Spin-echo 3.10. Measurement of relaxation times 3.10.1. Measurement of relaxation time 3.10.2. Measurement of relaxation time 3.11. Water suppression through spin-echo: Watergate 3.12 Spin decoupling 3.13 Broad band decoupling 3.14 Biliniear Rotational Decoupling (BIRD) EXERCISES CHAPTER 4: POLARIZATION TRANSFER 4.1 Introduction 4.2 Experimental Schemes 4.3 Origin of NOE 4.3.1 A simplified treatment 4.3.2 A more rigorous treatment 4.4 Steady state NOE 4.5 Transient NOE 4.6. Selective population inversion 4.7. INEPT 4.7.1. Disadvantages of INEPT 4.8 Refocused INEPT 4.9 DEPT EXERCISES CHAPTER 5: Density matrix description of NMR 5.1 Introduction 5.2 Density matrix 5.3 Elements of Density Matrix 5.4. Time evolution of density operator 5.5. Matrix representations of RF pulses 5.6. Product Operator Formalism 5.6.1. Basis operator sets 5.6.2. Time-evolution of Cartesian Basis Operators 5.6.2.1 Free evolution under the influence of the Hamiltonian 5.6.2.2 Chemical Shift evolution 5.6.2.3 Scalar coupling evolution 5.6.2.4 Rotation by pulses 5.6.2.5 Calculation of the spectrum of J-coupled two spin system EXERCISES Chapter 6: Multidimensional NMR Spectroscopy 6.1 Segmentation of the time axis 6.2 Two dimensional NMR 6.3 Two-dimensional Fourier Transformation in NMR 6.4 Peak shapes in 2D spectrum 6.5 Quadrature detection in two-dimensional NMR 6.6 Types of 2D-NMR spectra 6.6.1 2D- resolution/ separation experiments 6.6.2. Two-dimensional correlation experiments 6.6.2.1 The COSY experiment 6.6.2.1.1 COSY of two-spins 6.6.2.1.2 COSY of three-spins 6.6.2.1.3 Disadvantages of COSY 6.6.2.2 Double-Quantum Filtered COSY (DQF-COSY) 6.6.2.3 Total Correlation Spectroscopy (TOCSY) 6.6.2.4 Two-dimensional Nuclear Overhauser Effect spectroscopy (2D-NOESY) 6.6.2.5 Two-dimensional ROESY 6.6.3 Two-dimensional heteronuclear correlation experiments 6.6.3.1 Heteronuclear COSY 6.6.3.2 Heteronuclear Multiple Bond Correlation (HMBC) 6.6.3.3 Combination of mixing sequences 6.7 Three dimensional NMR 6.7.1 The CT-HNCA experiment 6.7.2 The HNN experiment 6.7.3 The constant-time HN(CO)CA experiment 6.7.4 The HN(C)N experiment EXERCISES APPENDIX A1. Hamiltonian of dipole-dipole interaction A2. Chemical Shift Anisotropy A3. Solid state NMR: basic features A4. Coherence selection by linear Field Gradients A5. Pure shift NMR: ZS and PSYCHE methods A6. HADAMARD NMR for selective excitation

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Book SynopsisThis is the fifth edition of the highly successful, classic textbook for bachelor and master courses, with over 20 % new material and the contents completely revised and updated. Using a minimum of mathematics, it explains the underlying theory of this most important spectroscopic technique in a thorough, yet readily understandable way, covering instrumentation and interpretation of the spectra. It presents all students need to know about 1D, 2D-NMR, solid state and dynamic NMR spectroscopy, as well as NMR imaging, all illustrated by examples for maximum clarity. All the sections include sub-chapters that focus on applications taken from organic, macromolecular, polymer and biochemistry. A must for students and lecturers in chemistry, biochemistry, pharmacy, and life sciences, as well as for spectroscopists.Trade ReviewFrom reviews of previous editions: "This book is a pleasure to read and if it does not arouse the student's interest, then it is difficult to see what could. It is clearly written and illustrated ... good value and essential reading for anyone wanting to know more about NMR."—Chemistry in Britain "Another paperback that I would advise students to buy ... [it] can be recommended for general purchase by all chemists."—New Scientist "This book deserves much praise. If only all authors took as much trouble to produce a work of such clarity and relevance.... The book forms an excellent bridge between the very simple texts on spectral interpretation and more specialist works with an emphasis on mathematical theory.... This book is highly educational and will be of benefit to those who have to teach NMR and to students and scientists in academic and industrial laboratories... this work is right up to date with an inclusion of most widely used modern NMR methods with a style and content that is superb."—NMR in Biomedicine "... with it's fourth edition, Friebolin's NMR textbook remains the valuable companion and helpful guide as which it is well-known and appreciated among chemists and other scientists who seek a practical, comprehensive, but easy-to-read introduction into high-resolution NMR spectroscopy on organic molecules."—Dr. Ingo Schnell, Max-Planck-Institute for Polymer Research, Mainz, ChemPhysChem "The book is also especially recommended to biochemists, medicinal chemists, and others with still different backgrounds and who maybe not look back on a comprehensive training in physical chemistry but nevertheless like to understand (!) NMR in addition to merely employing it as a 'black box technique' .... What more could be said on behalf of this nice volume that has not been said before - either here or in other comments on previous editions? The best testimony is doubtless given by the book itself: go and read and be convinced by what it has to tell you. Good, clean peaks to all!"—SynthesisTable of Contents1 The Physical Basis of NMR Spectroscopy 1 1.1 Introduction 1 1.2 Nuclear Angular Momentum and Magnetic Moment 2 1.3 Nuclei in a Static Magnetic Field 4 1.3.1 Directional Quantization 4 1.3.2 Energy of the Nuclei in the Magnetic Field 4 1.3.3 Populations of the Energy Levels 6 1.3.4 Macroscopic Magnetization 6 1.4 Basic Principles of the NMR Experiment 7 1.4.1 The Resonance Condition 7 1.4.2 Basic Principle of the NMR Measurement 8 1.5 The Pulsed NMR Method 9 1.5.1 The Pulse 9 1.5.2 The Pulse Angle 10 1.5.3 Relaxation 13 1.5.4 The Time and Frequency Domains; the Fourier Transformation 14 1.5.5 Spectrum Accumulation 16 1.5.6 The Pulsed NMR Spectrometer 18 1.6 Spectral Parameters: a Brief Survey 22 1.6.1 The Chemical Shift 22 1.6.1.1 Nuclear Shielding 22 1.6.1.2 Reference Compounds and the d-Scale 24 1.6.2 Spin-Spin Coupling 26 1.6.2.1 The Indirect Spin-Spin Coupling 26 1.6.2.2 Coupling to One Neighboring Nucleus (AXSpinSystem) 27 1.6.2.3 Coupling to Two Equivalent Neighboring Nuclei (AX2 Spin System) 29 1.6.2.4 Coupling to Three or More Equivalent Neighboring Nuclei (AXn Spin System) 30 1.6.2.5 Multiplicity Rules 30 1.6.2.6 Couplings between Three Non-equivalent Nuclei (AMX Spin System) 31 1.6.2.7 Couplings between Equivalent Nuclei (An Spin Systems) 32 1.6.2.8 The Order of a Spectrum 33 1.6.2.9 Couplings between Protons and other Nuclei; 13C Satellite Spectra33 1.6.3 The Intensities of the Resonance Signals 34 1.6.3.1 1H Signal Intensities 34 1.6.3.2 13C Signal Intensities 35 1.6.4 Summary 37 1.7 “Other” Nuclides 38 1.7.1 Nuclides with Spin I = 1/2 39 1.7.2 Nuclides with Spin I > 1/2 40 Exercises 41 1.8 Bibliography for Chapter 1 41 2 The Chemical Shift 43 2.1 Introduction 43 2.1.1 Influence of the Charge Density on the Shielding 44 2.1.2 Effects of Neighboring Groups 47 2.1.2.1 Magnetic Anisotropy of Neighboring Groups 47 2.1.2.2 Ring Current Effects 49 2.1.2.3 Electric Field Effects 51 2.1.2.4 Intermolecular Interactions – Hydrogen Bonding and Solvent Effects 51 2.1.2.5 Isotope Effects 51 2.1.3 Summary 52 2.2 1H Chemical Shifts of Organic Compounds 53 2.2.1 Alkanes and Cycloalkanes 54 2.2.2 Alkenes 56 2.2.3 Arenes 56 2.2.4 Alkynes 57 2.2.5 Aldehydes 58 2.2.6 OH, SH, NH 59 2.3 13C chemical Shifts of Organic compounds 60 2.3.1 Alkanes and Cycloalkanes 61 2.3.2 Alkenes 63 2.3.3 Arenes 64 2.3.4 Alkynes 66 2.3.5 Allenes 66 2.3.6 Carbonyl and Carboxy Compounds 66 2.3.6.1 Aldehydes and Ketones 67 2.3.6.2 Carboxylic Acids and Derivatives 68 2.4 Relationships between the Spectrum and the Molecular Structure 70 2.4.1 Equivalence, Symmetry and Chirality 70 2.4.2 Homotopic, Enantiotopic and Diastereotopic Groups 74 2.4.3 Summary 77 2.5 Chemical Shifts of “Other” Nuclides 78 Exercises 83 2.6 Bibliography for Chapter 2 83 3 Indirect Spin-Spin Coupling 85 3.1 Introduction 85 3.2 H,H Coupling Constants and Chemical Structure 87 3.2.1 Geminal Couplings 2J(H,H) 87 3.2.1.1 Dependence on Bond Angle 87 3.2.1.2 Substituent Effects 88 3.2.1.3 Effects of Neighboring π-Electrons 88 3.2.2 Vicinal Couplings 3J(H,H) 89 3.2.2.1 Dependence on the Dihedral Angle 90 3.2.2.2 Substituent Effects 94 3.2.3 H,H Couplings in Aromatic Compounds 95 3.2.4 Long-range Couplings 96 3.3 C,H Coupling Constants and Chemical Structure 97 3.3.1 C,H Couplings through One Bond 1J(C,H) 97 3.3.1.1 Dependence on the s-Fraction 97 3.3.1.2 Substituent Effects 98 3.3.2 C,H Couplings through Two or More Bonds 99 3.3.2.1 Geminal Couplings (i.e. 2J(C,H) in H-C-13C) 99 3.3.2.2 Vicinal Couplings (i.e. 3J(C,H) in H-C-C-13C) 99 3.3.2.3 Long-range Couplings 3+nJ(C,H) 100 3.3.3 C,H Couplings in Benzene Derivatives 100 3.4 C,C Coupling Constants and Chemical Structure 101 3.5 Correlations between C,H and H,H Coupling Constants 101 3.6 Coupling Mechanisms 103 3.6.1 The Electron-Nuclear Interaction 103 3.6.2 H,D Couplings 105 3.6.3 Relationship between the Coupling and the Lifetime of a Spin State 106 3.6.4 Couplings through Space 106 3.7 Couplings of “Other” Nuclides (Heteronuclear Couplings) 107 Exercises 109 3.8 Bibliography for Chapter 3 109 4 Spectrum Analysis and Calculations 111 4.1 Introduction 111 4.2 Nomenclature 113 4.2.1 Systematic Notation for Spin Systems 113 4.2.2 Chemical and Magnetic Equivalence 114 4.3 Two-Spin Systems 116 4.3.1 The AX Spin System 116 4.3.2 The AB Spin System 118 4.4 Three-Spin Systems 120 4.4.1 The AX2, AK2, AB2 and A3 Spin Systems 120 4.4.2 The AMX and ABX Spin Systems 121 4.5 Four-Spin Systems 123 4.5.1 A2X2 and A2B2 Spin Systems 123 4.5.2 The AA ′XXl′ and AA ′BBl′ Spin Systems 124 4.6 Spectrum Simulation and Iteration 125 4.7 Analysis of 13C NMR Spectra 126 Exercises 127 4.8 Bibliography for Chapter 4 127 5 Double Resonance Experiments 129 5.1 Introduction 129 5.2 Spin Decoupling in ‑H NMR Spectroscopy 130 5.2.1 Simplification of Spectra by Selective Spin Decoupling 130 5.2.2 Suppression of a Solvent Signal 132 5.3 Spin Decoupling in 13C NMR Spectroscopy 133 5.3.1 1H Broad-band Decoupling 133 5.3.2 The Gated Decoupling Experiment 135 5.3.3 1H Off-Resonance Decoupling 136 5.3.4 Selective Decoupling in 13C NMR Spectroscopy 137 Exercises 138 5.4 Bibliography for Chapter 5 138 6 Assignment of 1H and 13C Signals 139 6.1 Introduction 139 6.2 1H NMR Spectroscopy 140 6.2.1 Defining the Problem 140 6.2.2 Empirical Correlations for Predicting Chemical Shifts 141 6.2.2.1 Alkanes (Shoolery’s Rule) 141 6.2.2.2 Alkenes 142 6.2.2.3 Benzene Derivatives 143 6.2.3 Decoupling Experiments 145 6.2.4 Altering the Chemical Structure of the Sample 145 6.2.5 Effects of Solvent and Temperature 146 6.2.6 Shift Reagents 147 6.2.6.1 Lanthanide Shift Reagents (LSRs) 147 6.2.6.2 Chiral Lanthanide Shift Reagents 150 6.3 13C NMR Spectroscopy 152 6.3.1 Defining the Problem 152 6.3.2 Empirical Correlations for Predicting Approximate Chemical Shifts 154 6.3.2.1 Alkanes 154 6.3.2.2 Alkenes 157 6.3.2.3 Benzene Derivatives 158 6.3.3 Decoupling Experiments 159 6.3.4 T1 Measurements 160 6.3.5 Chemical Changes to the Sample 160 6.3.6 Solvent and Temperature Effects and Shift Reagents 161 6.4 Computer-aided Assignment of 13C NMR Spectra 161 6.4.1 Searching for Identical or Related Compounds 161 6.4.2 Spectrum Prediction 162 Exercises 164 6.5 Bibliography for Chapter 6 165 7 Relaxation 167 7.1 Introduction 167 7.2 Spin-Lattice Relaxation of 13C Nuclei (T1) 168 7.2.1 Relaxation Mechanisms 168 7.2.2 Experimental Determination of T1; the Inversion Recovery Experiment 170 7.2.3 Relationships between T1 and Chemical Structure 174 7.2.3.1 Influence of Protons in CH, CH2 and CH3 Groups 174 7.2.3.2 Influence of Molecular Size 175 7.2.3.3 Segmental Mobilities 176 7.2.3.4 Anisotropy of the Molecular Mobility 176 7.2.4 Suppression of the Water Signal 177 7.3 Spin-Spin Relaxation (T2) 177 7.3.1 Relaxation Mechanisms 177 7.3.2 Experimental Determination of T2; the Spin-Echo Experiment 179 7.3.3 Line-widths of NMR Signals 183 Exercises 185 7.4 Bibliography for Chapter 7 185 8 One-Dimensional NMR Experiments using Complex Pulse Sequences 187 8.1 Introduction 187 8.2 Basic Techniques Using Pulse Sequences and Pulsed Field Gradients 188 8.2.1 The Effect of the Pulse on the Longitudinal Magnetization (Mz) 189 8.2.2 The Effect of the Pulse on the Transverse Magnetization Components (Mx′, My′) 190 8.2.3 Spin-Locking 193 8.2.4 The Effect of Pulsed Field Gradients on the Transverse Magnetization 195 8.3 The J-Modulated Spin-Echo Experiment 199 8.4 The Pulsed Gradient Spin-Echo Experiment 208 8.5 Signal Enhancement by Polarization Transfer 210 8.5.1 The SPI Experiment 210 8.5.2 The INEPT Experiment 213 8.5.3 The Reverse INEPT Experiment with Proton Detection 221 8.6 The DEPT Experiment 226 8.7 The Selective TOCSY Experiment 230 8.8 The One-Dimensional INADEQUATE Experiment 233 Exercises 237 8.9 Bibliography for Chapter 8 237 9 Two-Dimensional NMR Spectroscopy 239 9.1 Introduction 239 9.2 The Two-Dimensional NMR Experiment 240 9.2.1 Preparation, Evolution and Mixing, Data Acquisition 240 9.2.2 Graphical Representation 244 9.3 Two-Dimensional J-Resolved NMR Spectroscopy 245 9.3.1 Heteronuclear Two-Dimensional J-Resolved NMR Spectroscopy 245 9.3.2 Homonuclear Two-Dimensional J-Resolved NMR Spectroscopy 249 9.4 Two-Dimensional Correlated NMR Spectroscopy 254 9.4.1 Two-Dimensional Heteronuclear (C,H)-Correlated NMR Spectroscopy (HETCOR or C,H-COSY) 255 9.4.2 Two-Dimensional Homonuclear (H,H)-Correlated NMR Spectroscopy (H,H-COSY; Long-Range COSY) 263 9.4.3 Reverse Two-Dimensional Heteronuclear (H,C)-Correlated NMR Spectroscopy (HSQC; HMQC) 271 9.4.4 The Gradient-Selected (gs-)HMBC Experiment 276 9.4.5 The TOCSY Experiment 281 9.4.6 Two-Dimensional Exchange NMR Spectroscopy: The Experiments NOESY ROESY and EXSY 284 9.5 The Two-Dimensional INADEQUATE Experiment 289 9.6 Summary of Chapters 8 and 9 294 Exercises 295 9.7 Bibliography for Chapter 9 295 10 The Nuclear Overhauser Effect 297 10.1 Introduction 297 10.2 Theoretical Background 298 10.2.1 The Two-Spin System 298 10.2.2 Enhancement Factors 301 10.2.3 Multi-Spin Systems 302 10.2.4 From the One-Dimensional to the Two-Dimensional Experiments, NOESY and ROESY 303 10.3 Experimental Aspects 305 10.4 Applications 306 Exercises 311 10.5 Bibliography for Chapter 10 311 11 Dynamic NMR Spectroscopy (DNMR) 313 11.1 Introduction 313 11.2 Quantitative Calculations 317 11.2.1 Complete Line-shape Analysis 317 11.2.2 The Coalescence Temperature TC and the corresponding Rate constant kC 319 11.2.3 Activation Parameters 320 11.2.3.1 The Arrhenius Activation Energy EA 320 11.2.3.2 The Free Enthalpy of Activation ΔG 321 11.2.3.3 Estimating the Limits of Error 322 11.2.4 Rate Constants in Reactions with Intermediate Stages 323 11.2.5 Intermolecular Exchange Processes 324 11.3 Applications 325 11.3.1 Rotation about CC Single Bonds 325 11.3.1.1 C(sp3)-C(sp3) Bonds 326 11.3.1.2 C(sp2)-C(sp3) Bonds 326 11.3.1.3 C(sp2)-C(sp2) Bonds 327 11.3.2 Rotation about a Partial Double Bond 327 11.3.3 Inversion at Nitrogen and Phosphorus Atoms 329 11.3.4 Ring Inversion 330 11.3.5 Valence Tautomerism 333 11.3.6 Keto-Enol Tautomerism 334 11.3.7 Intermolecular Proton Exchange 335 11.3.8 Reactions and Equilibration Processes 337 Exercises 340 11.4 Bibliography for Chapter 11 340 12 Synthetic Polymers 343 12.1 Introduction 343 12.2 The Tacticity of Polymers 343 12.3 Polymerization of Dienes 347 12.4 Copolymers 348 12.5 Solid-State NMR Spectroscopy of Polymers 349 Exercises 352 12.6 Bibliography for Chapter 12 352 13 NMR Spectroscopy in Biochemistry and Medicine 355 13.1 Introduction 355 13.2 Elucidating Reaction Pathways in Biochemistry 355 13.2.1 Syntheses using Singly 13C-Labeled Precursors 356 13.2.1.1 Low Levels of 13C Enrichment 356 13.2.1.2 High Levels of 13C Enrichment 357 13.2.2 Syntheses using Doubly 13C-Labeled Precursors 358 13.3 Biopolymers 360 13.3.1 Peptides and Proteins 361 13.3.1.1 Sequence Analysis 362 13.3.1.2 The Three-Dimensional Structure of Proteins 363 13.3.2 Polynucleotides 365 13.3.3 Oligosaccharides and Polysaccharides 367 13.4 Saturation Transfer Difference NMR Spectroscopy (STD) 371 Exercises 372 13.5 Bibliography for Chapter 13 372 14 In vivo NMR Spectroscopy in Biochemistry and Medicine 375 14.1 Introduction 375 14.2 High-Resolution in vivo NMR Spectroscopy 376 14.2.1 The Problem and its Solution 376 14.2.2 31 PNMR Experiments 377 14.2.3 1H and 13C NMR Experiments 380 14.3 Magnetic Resonance Tomography 381 14.3.1 Basic Principles and Experimental Considerations 381 14.3.2 Applications 387 14.4 Magnetic Resonance Spectroscopy, 1H MRS 391 Exercises 393 14.5 Bibliography for Chapter 14 393 Solutions 395 Subject Index 407 Index of Compounds 411

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Book SynopsisThe renowned Oxford Chemistry Primer series, which provides focused introductions to a range of important topics in chemistry, has been refreshed and updated to suit the needs of today''s students, lecturers, and postgraduate researchers. The rigorous, yet accessible, treatment of each subject area is ideal for those wanting a primer in a given topic to prepare them for more advanced study or research. Moreover, cutting-edge examples and applications throughout the texts show the relevance of the chemistry being described to current research and industry. The learning features provided, including questions at the end of every chapter and online multiple-choice questions, encourage active learning and promote understanding. Furthermore, frequent diagrams, margin notes, further reading, and glossary definitions all help to enhance a student''s understanding of these essential areas of chemistry.NMR: The Toolkit describes succinctly the range of NMR techniques commonly used in modern reseTable of ContentsPART A: PRODUCT OPERATORS; PART B: QUANTUM MECHANICS

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Book Synopsis

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Book SynopsisThe renowned Oxford Chemistry Primer series, which provides focused introductions to a range of important topics in chemistry, has been refreshed and updated to suit the needs of today''s students, lecturers, and postgraduate researchers. The rigorous, yet accessible, treatment of each subject area is ideal for those wanting a primer in a given topic to prepare them for more advanced study or research. The learning features provided, including questions at the end of every chapter and online multiple-choice questions, encourage active learning and promote understanding. Moreover, cutting-edge examples and applications throughout the texts show the relevance to current research and industry of the chemistry being described. Electronic Paramagnetic Resonance provides a user-friendly introduction to this powerful tool for characterizing paramagnetic molecules. A versatile technique, EPR is becoming increasingly used across fields as diverse as biology, materials science, chemistry, and physics. This primer provides the perfect introduction to the subject by taking the reader through from basic principles to how spectra can be interpreted in practice, with frequent examples demonstrating the diverse ways in which the technique can be applied.Online Resources The online resources to accompany Electron Paramagnetic Resonance feature: For registered adopters of the text: Figures from the book available to download For students: Full worked solutions to the end-of-chapter exercises Multiple-choice questions for self-directed learningTrade ReviewGood sets of sample spectra to illustrate the underlying principles. * Dr Tien-Sung Tom Lin, Washington University in St. Louis *Combines a sound theoretical basis with a hands-on approach and useful advice for practical work. * Prof. Dr. Gunnar Jeschke, ETH Zürich, Switzerland *Table of Contents1: A brief overview of Electron Paramagnetic Resonance spectroscopy 2: Theory of continuous wave EPR spectroscopy 3: Experimental methods in CW EPR 4: Isotropic EPR spectra of organic radicals 5: Anisotropic EPR spectra in the solid state 6: Transition metal ions and inorganic radicals 7: Systems with multiple unpaired electrons 8: Linewidth of EPR spectra 9: Advanced EPR techniques

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Book SynopsisThis volume covers the new methodological advances in NMR spectroscopy that have been developed since the publication of the first edition. These include: ''indirect detection'' methods, particularly proton-detected carbon-13 spectra, which have profoundly increased NMR sensitivities; 3- and even higher- dimensional NMR methods which have further increased spectral resolving and correlating power; powerful new computer programs which assist in all phases of data analysis and ultimately make possible rigorous interpretations of complex 2D and higher- dimensional NMR spectra using molecular mechanics and dynamics calculations; and field gradient technology which makes it possible to acquire 2D and higher-dimensional spectra of concentrated samples very rapidly, greatly reducing experiment times. This new edition retains the original format of the first edition with introductory chapters covering descriptions, basic theoretical treatments and experimental aspects of the methods. These areTable of ContentsFrom the Contents: Introduction to Multi-Dimensional NMR Methods/ Experimental Aspects of Two-Dimensional NMR/ Proton Detected Heteronuclear and Multi-Dimensional NMR/ Computer-Aided Analysis of Multi-Dimensional NMR Spectra/ NMR of Pesticides/ Protein Structure Calculation Using NMR Restraints/ Studies of Nucleic Acid Structures Based on NMR Results/ Two-Dimensional and Related NMR Methods in Structural Analysis of Oligo- and Polysaccharides/ Steroid Structural Analysis of Two-Dimensional NMR/ Applications of Two-Dimensional NMR to the Characterization of Synthetic Organic Materials/ Two-Dimensional NMR in Natural Products and Pharmaceutical Chemistry

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Book SynopsisThis text is aimed at people who have some familiarity with high-resolution NMR and who wish to deepen their understanding of how NMR experiments actually work'. This revised and updated edition takes the same approach as the highly-acclaimed first edition. The text concentrates on the description of commonly-used experiments and explains in detail the theory behind how such experiments work. The quantum mechanical tools needed to analyse pulse sequences are introduced set by step, but the approach is relatively informal with the emphasis on obtaining a good understanding of how the experiments actually work. The use of two-colour printing and a new larger format improves the readability of the text. In addition, a number of new topics have been introduced: How product operators can be extended to describe experiments in AX2 and AX3 spin systems, thus making it possible to discuss the important APT, INEPT and DEPT experiments often used in carbon-13 NMR. SpTable of ContentsPreface v Preface to the first edition vi 1 What this book is about and who should read it 1 1.1 How this book is organized 2 1.2 Scope and limitations 3 1.3 Context and further reading 3 1.4 On-line resources 4 1.5 Abbreviations and acronyms 4 2 Setting the scene 5 2.1 NMR frequencies and chemical shifts 5 2.2 Linewidths, lineshapes and integrals 9 2.3 Scalar coupling 10 2.4 The basic NMR experiment 13 2.5 Frequency, oscillations and rotations 15 2.6 Photons 20 2.7 Moving on 21 2.8 Further reading 21 2.9 Exercises 22 3 Energy levels and NMR spectra 23 3.1 The problem with the energy level approach 24 3.2 Introducing quantum mechanics 26 3.3 The spectrum from one spin 31 3.4 Writing the Hamiltonian in frequency units 34 3.5 The energy levels for two coupled spins 35 3.6 The spectrum from two coupled spins 38 3.7 Three spins 40 3.8 Summary 44 3.9 Further reading 44 3.10 Exercises 45 4 The vector model 47 4.1 The bulk magnetization 47 4.2 Larmor precession 50 4.3 Detection 51 4.4 Pulses 52 4.5 On-resonance pulses 57 4.6 Detection in the rotating frame 60 4.7 The basic pulse–acquire experiment 60 4.8 Pulse calibration 61 4.9 The spin echo 63 4.10 Pulses of different phases 66 4.11 Off-resonance effects and soft pulses 67 4.12 Moving on 71 4.13 Further reading 71 4.14 Exercises 72 5 Fourier transformation and data processing 77 5.1 How the Fourier transform works 78 5.2 Representing the FID 82 5.3 Lineshapes and phase 83 5.4 Manipulating the FID and the spectrum 90 5.5 Zero filling 99 5.6 Truncation 100 5.7 Further reading 101 5.8 Exercises 102 6 The quantum mechanics of one spin 105 6.1 Introduction 105 6.2 Superposition states 106 6.3 Some quantum mechanical tools 107 6.4 Computing the bulk magnetization 112 6.5 Summary 117 6.6 Time evolution 118 6.7 RF pulses 123 6.8 Making faster progress: the density operator 126 6.9 Coherence 134 6.10 Further reading 135 6.11 Exercises 136 7 Product operators 139 7.1 Operators for one spin 139 7.2 Analysis of pulse sequences for a one-spin system 143 7.3 Speeding things up 146 7.4 Operators for two spins 149 7.5 In-phase and anti-phase terms 152 7.6 Hamiltonians for two spins 157 7.7 Notation for heteronuclear spin systems 157 7.8 Spin echoes and J-modulation 158 7.9 Coherence transfer 166 7.10 The INEPT experiment 167 7.11 Selective COSY 171 7.12 Coherence order and multiple-quantum coherences 173 7.13 Summary 178 7.14 Further reading 179 7.15 Exercises 180 8 Two-dimensional NMR 183 8.1 The general scheme for two-dimensional NMR 184 8.2 Modulation and lineshapes 187 8.3 COSY 190 8.4 DQF COSY 200 8.5 Double-quantum spectroscopy 203 8.6 Heteronuclear correlation spectra 208 8.7 HSQC 209 8.8 HMQC 212 8.9 Long-range correlation: HMBC 215 8.10 HETCOR 220 8.11 TOCSY 221 8.12 Frequency discrimination and lineshapes 226 8.13 Further reading 236 8.14 Exercises 238 9 Relaxation and the NOE 241 9.1 The origin of relaxation 242 9.2 Relaxation mechanisms 249 9.3 Describing random motion – the correlation time 251 9.4 Populations 258 9.5 Longitudinal relaxation behaviour of isolated spins 263 9.6 Longitudinal dipolar relaxation of two spins 267 9.7 The NOE 274 9.8 Transverse relaxation 286 9.9 Homogeneous and inhomogeneous broadening 300 9.10 Relaxation due to chemical shift anisotropy 304 9.11 Cross correlation 306 9.12 Summary 311 9.13 Further reading 311 9.14 Exercises 313 10 Advanced topics in two-dimensional NMR 319 10.1 Product operators for three spins 320 10.2 COSY for three spins 325 10.3 Reduced multiplets in COSY spectra 330 10.4 Polarization operators 337 10.5 ZCOSY 345 10.6 HMBC 347 10.7 Sensitivity-enhanced experiments 349 10.8 Constant time experiments 353 10.9 TROSY 358 10.10 Double-quantum spectroscopy of a three-spin system 366 10.11 Further reading 374 10.12 Exercises 376 11 Coherence selection: phase cycling and field gradient pulses 381 11.1 Coherence order 382 11.2 Coherence transfer pathways 387 11.3 Frequency discrimination and lineshapes 389 11.4 The receiver phase 391 11.5 Introducing phase cycling 395 11.6 Some phase cycling ‘tricks’ 401 11.7 Axial peak suppression 403 11.8 CYCLOPS 403 11.9 Examples of practical phase cycles 404 11.10 Concluding remarks about phase cycling 408 11.11 Introducing field gradient pulses 409 11.12 Features of selection using gradients 416 11.13 Examples of using gradient pulses 421 11.14 Advantages and disadvantages of coherence selection with gradients 426 11.15 Suppression of zero-quantum coherence 426 11.16 Selective excitation with the aid of gradients 432 11.17 Further reading 435 11.18 Exercises 436 12 Equivalent spins and spin system analysis 441 12.1 Strong coupling in a two-spin system 442 12.2 Chemical and magnetic equivalence 446 12.3 Product operators for AXn (InS) spin systems 450 12.4 Spin echoes in InS spin systems 455 12.5 INEPT in InS spin systems 458 12.6 DEPT 462 12.7 Spin system analysis 468 12.8 Further reading 477 12.9 Exercises 478 13 How the spectrometer works 483 13.1 The magnet 483 13.2 The probe 485 13.3 The transmitter 486 13.4 The receiver 488 13.5 Digitizing the signal 489 13.6 Quadrature detection 491 13.7 The pulse programmer 493 13.8 Further reading 493 13.9 Exercises 494 A Some mathematical topics 495 A.1 The exponential function and logarithms 495 A.2 Complex numbers 497 A.3 Trigonometric identities 499 A.4 Further reading 500 Index 501

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Book SynopsisThe content of this volume has been added to eMagRes (formerly Encyclopedia of Magnetic Resonance) - theTable of ContentsContributors ix Series Preface xiii Volume Preface xv Part A: Surface Coils 1 1 An Historical Introduction to Surface Coils: The Early Days 3 Joseph J. H. Ackerman 2 Radiofrequency Coils for NMR: A Peripatetic History of Their Twists and Turns 9 Eiichi Fukushima 3 Quadrature Surface Coils 17 Christopher M. Collin and, Andrew G. Webb 4 Double-Tuned Surface Coils 27 Barbara L. Beck 5 Nested Surface Coils for Multinuclear NMR 39 Arthur W. Magill and Rolf Gruetter 6 Quadrature Transverse Electromagnetic (TEM) Surface Coils 51 Nikolai I. Avdievich Part B: Array Coils 63 7 Receiver Loop Arrays 65 Steven M. Wright 8 Coil Array Design for Parallel Imaging: Theory and Applications 81 Daniel K. Sodickson, Michael A. Ohliger, Riccardo Lattanzi and Graham C. Wiggins 9 Transceiver Loop Arrays 101 Randy Duensing 10 Characterization of Multichannel Coil Arrays on the Benchtop 111 Mark A Griswold Part C: Volume Coils 121 11 Birdcage Volume Coil Design 123 Nicola De Zanche 12 Double-Tuned Birdcage Coils: Construction and Tuning 137 Joseph Murphy-Boesch 13 TEM Body Coils 147 J. Thomas Vaughan 14 TEM Transceiver Head Array Coils for Ultra High Magnetic Fields 169 Gregor Adriany 15 TEM Arrays, Design and Implementation 175 Carl Snyder 16 Transverse Electromagnatic (TEM) Coils for Extremities 185 Nikolai I. Avdievich 17 Antennas as Surface Array Elements for Body Imaging at Ultra-high Field Strengths 197 A. J. E. Raaijmakers and C. A. T. van den Berg Part D: Special Purpose Coils 209 18 Catheter Coils 211 Ergin Atalar 19 Microcoils 225 Andrew G. Webb 20 Cryogenic and Superconducting Coils for MRI 233 Sven Junge 21 Litz Coils for High Resolution and Animal Probes, Especially for Double Resonance 245 F. David Doty, George Entzminger Jr 22 Millipede Coils 259 Ernest W. H. Wong Part E: Coil Interface Circuits 269 23 Receiver Design for MR 271 David I. Hoult 24 Radiofrequency Power Amplifiers for NMR and MRI 299 Daniel P. Myer 25 Impedance Matching and Baluns 315 David M. Peterson Part F: Coil Modeling and Evaluation 325 26 Radiofrequency MRI Coil Analysis: A Standard Procedure 327 Rostislav A. Lemdiasov, Reinhold Ludwig 27 Practical Electromagnetic Modeling Methods 339 Jian-Ming Jin 28 Radiofrequency Fields and SAR for Bird Cages 363 Tamer S. Ibrahim 29 RF Field Modeling for Double-Tuned Volume Coils 377 Wanzhan Liu 30 Radiofrequency Fields and SAR for Transverse Electromagnetic (TEM) Surface Coils 387 Can Eyup Akgun 31 TEM Coil Fields and SAR 397 Jinfeng Tian Part G: RF Safety 407 32 RF Device Safety and Compatibility 409 John Nyenhuis 33 Radiofrequency Heating Models and Measurements Devashish Shrivastava, J. Thomas Vaughan 425 Index 437

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Book SynopsisThe content of this volume has been added to eMagRes (formerly Encyclopedia of Magnetic Resonance) - theTable of ContentsContributors ix Series Preface xiii Volume Preface xv Part A: Basic Principles 1 1 Quadrupolar Interactions Pascal P. Man 3 2 Quadrupolar Nuclei in Solids Alexander J. Vega 17 3 Quadrupolar Coupling: An Introduction and Crystallographic Aspects Sharon E. Ashbrook, Stephen Wimperis 45 4 Quadrupolar Nuclei in Solids: Influence of Different Interactions on Spectra David L. Bryce, Roderick E. Wasylishen 63 Part B: Advanced Techniques 75 5 Acquisition of Wideline Solid-State NMR Spectra of Quadrupolar Nuclei Robert W. Schurko 77 6 Sensitivity and Resolution Enhancement of Half-Integer Quadrupolar Nuclei in Solid-State NMR Thomas T. Nakashima, Roderick E. Wasylishen 95 7 Quadrupolar Nutation Spectroscopy Arno P.M. Kentgens 107 8 Dynamic Angle Spinning Philip J. Grandinetti 121 9 Double Rotation (DOR) NMR Ray Dupree 133 10 MQMAS NMR: Experimental Strategies Jean-Paul Amoureux, Marek Pruski 143 11 STMAS NMR: Experimental Advances Sharon E. Ashbrook, Stephen Wimperis 163 12 Correlation Experiments Involving Half-Integer Quadrupolar Nuclei Michael Deschamps, Dominique Massiot 179 13 Computing Electric Field Gradient Tensors Josef W. Zwanziger 199 Part C: Applications 211 14 Quadrupolar NMR to Investigate Dynamics in Solid Materials Luke A. O’Dell, Christopher I. Ratcliffe 213 15 Alkali Metal NMR of Biological Molecules Gang Wu 233 16 Nitrogen-14 NMR Studies of Biological Systems Luminita Duma 255 17 Oxygen-17 NMR Studies of Organic and Biological Molecules Gang Wu 273 18 Oxygen-17 NMR of Inorganic Materials Sharon E. Ashbrook, Mark E. Smith 291 19 Chlorine, Bromine, and Iodine Solid-State NMR David L. Bryce, Cory M. Widdifield, Rebecca P. Chapman, Robert J. Attrell 321 20 Quadrupolar NMR of Ionic Conductors, Batteries, and other Energy-Related Materials Frédéric Blanc, Leigh Spencer, Gillian R. Goward 349 21 Quadrupolar NMR of Nanoporous Materials Mohamed Haouas, Charlotte Martineau, Francis Taulelle 371 22 Quadrupolar NMR in the Earth Sciences Jonathan F. Stebbins 387 23 Quadrupolar NMR of Superconductors Nicholas J. Curro 401 24 Quadrupolar NMR of Semiconductors James P. Yesinowski 417 25 Quadrupolar NMR of Metal Nuclides in Biological Materials Tatyana Polenova, Andrew S. Lipton, Paul D. Ellis 439 26 Nuclear Waste Glasses: Insights from Solid-State NMR Scott Kroeker 453 27 Quadrupolar Metal NMR of Oxide Materials Including Catalysts Olga B. Lapina, Victor V. Terskikh 467 28 Quadrupolar NMR of Intermetallic Compounds Frank Haarmann 495 Index 511

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Book Synopsis"Hills is probably the best person I can think of to write this book. He has the deepest background combined with considerable experience in solving problems with food. " -R.G. Bryant, University of Virginia. Food scientists have many excellent tools at their disposal with which to study food at both the micro- and macrostructural levels.Table of ContentsMACROSCOPIC DISTANCE SCALE. A Résumé of MRI Methodology. MRI and Food Processing: Mapping Mass Transport and Phase Behavior. MRI and Food Processing: Mapping Temperature and Quality. Flow Imaging and Food Rheology. Solid-Imaging Techniques. On-line MRI for Process Control and Quality Assurance. Whole-Plant Functional Imaging. Unconventional MRI Techniques. MICROSCOPIC DISTANCE SCALE. Microimaging and NMR Microscopy. Microstructure and Relaxometry. Probing Microstructure with Diffusion. MOLECULAR DISTANCE SCALE. Molecular Origins of Relaxation Contrast. Molecular Factors Influencing the Diffusion and Transfer of Water Magnetization. References. Index.

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Book SynopsisMultidimensional NMR in Liquids offers a lucid treatment of basic NMR phenomena, building up to today''s most sophisticated NMR experiments from first principles. Using easy-to-grasp product-operator formalism, diagrams, and practical examples, one-, two-, and N-dimensional NMR experiments are explained with minimal recourse to quantum mechanics. Separate theoretical sections are provided for readers interested in spin-quantum mechanics, as are the appendices providing theoretical backgrounds in linear algebra, quantum mechanics, and angular momentum. Following a systematic and rigorous description of all important 2D experiments (including the applications of pulsed field gradients), up-to-date coverage is given of three-dimensional and four-dimensional homo- and heteronuclear NMR experiments. The book provides original descriptions of complicated topics such as strong coupling, decoupling, and cross-polarization. The final chapter presents the basic concepts of relaxation, fTable of ContentsFrom the Contents: Basic Principles/ Multi Spin Systems/ One-Dimensional NMR/ Two-Dimensional NMR/ N-Dimensional NMR/ Relaxation/ Further Reading/ Index

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Book SynopsisDynamic Spin Chemistry Edited by Saburo Nagakura, Hisaharu Hayashi and Tohru Azumi Because of increasing concerns over the effects of electromagnetic radiation on the human body, it has become essential to understand how chemical and biological reactions are affected by magnetic fields. Dynamic Spin Chemistry focuses on theoretical and experimental research showing the great influence on the dynamic behavior of molecules due to external magnetic fields, such as magnetic quenching of gaseous fluorescence, effects on chemical reaction rates and chemically induced dynamic nuclear and electron polarization. This book discusses both the theoretical and experimental foundations of dynamic spin chemistry, as well as its future trends. After the introductory chapter, the next three chapters discuss magnetic field effects and magnetic isotope effects on chemical reactions in solution and on the dynamic behavior of excited molecules in the gas phase. Subsequent chapters deal with the effects on Table of ContentsWhat is Dynamic Spin Chemistry? Magnetic Field and Magnetic Isotope Effects on Reactions of Radical Pairs. Magnetic Field and Magnetic Isotope Effects on Biradical Reactions. Magnetic Field Effects on Dynamic Behavior of Excited Molecules in the Gas Phase. Magnetic Field Effects on Chemical Equilibria. Spin Spectroscopy Focusing on Nuclear Spin Polarization. Chemically Induced Dynamic Electron Polarization (CIDEP) Studies in Photochemical Reactions. Reaction-Yield-Detected ESR and Its Application to Control Chemical Reactions. Index.

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Book SynopsisOne of the most outstanding contributions of NMR to chemistry concerns the information which can be obtained at the molecular level as a result of the time-dependence of NMR spectra. The importance of this information is well illustrated by the large number of applications which have resulted from research in this field. To date, however, both the theory and its applications have only been available in widely scattered articles in the literature. Dynamics of Solutions and Fluid Mixtures by NMR is the first single volume giving a comprehensive coverage of time-dependent effects in NMR, and of the information which can be obtained by investigation of these phenomena. The ten chapters, all written by acknowledged experts in their respective fields, are arranged in a logical progression. The first three chapters give an overview of NMR spectroscopy and the fundamental aspects of molecular dynamics. Topics covered in later chapters include specific relaxation mechanisms, the use of field grTable of ContentsTimescales in NMR: Relaxation Phenomena in Relation with MolecularReorientation (D. Canet & J. Robert). Timescales in NMR: Nuclear Site Exchange and Dynamic NMR(J.-J. Delpuech). Nuclear Paramagnetic Spin Relaxation Theory: Paramagnetic SpinProbes in Homogeneous and Microheterogeneous Solutions (P.Westlund). Quadrupolar Probes in Solution (J. Grandjean & P.Laszlo). Solvent Exchange on Metal Ions: A Variable Pressure NMR Approach(U. Frey, et al.). Applications of Field Gradients in NMR (D. Canet & M.Decorps). Surfactant Solutions: Aggregation Phenomena and Microheterogeneity(B. Lindman, et al.). Polymers and Biopolymers in the Liquid State (M.Krajewski-Bertrand, et al.). Liquid-Like Molecules in Rigid Matrices and in Soft Matter (J.Cohen-Addad, et al.). Index.

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Book SynopsisThis book is for those familiar with solution-state NMR who are encountering solid-state NMR for the first time. It presents the current understanding and applications of solid-state NMR with a rigorous but readable approach, making it easy for someone who merely wishes to gain an overall impression of the subject without details.Table of ContentsList of Contributors. Preface. Acknowledgements. Part I - The Theory of Solid-State NMR and its Experiments. 1. The Basics of Solid-State NMR. 2. Essential Techniques for Spin-1/2 Nuclei. 3. Dipolar Coupling - its Measurements and Uses. 4. Quadrupolar Coupling - its Measurements and Uses. 5. Shielding and Chemical Shift. Part II - Applications of Solid-state NMR. 6. NMR Techniques for Studying Molecular Motion in Solids. 7. Molecular Structure Determination: Applications in Biology. 8. NMR Studies of Oxide Glass Structure. 9. Porous Materials. 10. Solid Polymers. 11. Liquid-Crystalline Materials. References. Index.

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Book SynopsisCombines clear and concise discussions of key NMR concepts with succinct and illustrative examples Designed to cover a full course in Nuclear Magnetic Resonance (NMR) Spectroscopy, this text offers complete coverage of classic (one-dimensional) NMR as well as up-to-date coverage of two-dimensional NMR and other modern methods. It contains practical advice, theory, illustrated applications, and classroom-tested problems; looks at such important ideas as relaxation, NOEs, phase cycling, and processing parameters; and provides brief, yet fully comprehensible, examples. It also uniquely lists all of the general parameters for many experiments including mixing times, number of scans, relaxation times, and more. Nuclear Magnetic Resonance Spectroscopy: An Introduction to Principles, Applications, and Experimental Methods, 2nd Edition begins by introducing readers to NMR spectroscopy - an analytical technique used in modern chemistry, biochemistry, and biology tTable of ContentsPreface to First Edition Preface to Second Edition Symbols Abbreviations 1. Introduction 1.1. Magnetic Properties of Nuclei 1.2. The Chemical Shift 1.3. Excitation and Relaxation 1.4. Pulsed Experiments 1.5. The Coupling Constant 1.6. Quantitation and Complex Splitting 1.7. Commonly Studied Nuclides 1.8. Dynamic Effects 1.9. Spectra of Solids Problems Tips on Solving NMR Problems Bibliography 2. Introductory Experimental Methods 2.1. The Spectrometer 2.2. Sample Preparation 2.3. Optimizing the Signal 2.3a. Sample Tube Placement 2.3b. Probe Tuning 2.3c. Field/Frequency Locking 2.3d. Spectrometer Shimming 2.4. Determination of NMR Spectra-Acquisition Parameters 2.4a. Number of Data Points 2.4b. Spectral Width 2.4c. Filter Bandwidth 2.4d. Acquisition Time 2.4e. Transmitter Offset 2.4f. Flip Angle 2.4g. Receiver Gain 2.4h. Number of Scans 2.4i. Steady-State Scans 2.4j. Oversampling and Digital Filtration 2.4k. Decoupling for X Nuclei 2.4l. Typical NMR Experiments 2.5. Determination of NMR Spectral-Processing Parameters 2.5a. Exponential Weighting 2.5b. Zero Filling 2.5c. FID Truncation and Spectral Artifacts 2.5d. Resolution 2.6. Determination of NMR Spectra: Spectral Presentation 2.6a. Signal Phasing and Baseline Correction 2.6b. Zero Referencing 2.6c. Determination of Certain NMR Parameters 2.7. Calibrations 2.7a. Pulse Width (Flip Angle) 2.8b. Decoupler Field Strength Problems Bibliography 3. The Chemical Shift 3.1. Factors That Influence Proton Shifts 3.2. Proton Chemical Shifts and Structure 3.2a. Saturated Aliphatics 3.2b. Unsaturated Aliphatics 3.2c. Aromatics 3.2d. Protons on Oxygen and Nitrogen 3.2e. Programs for Empirical Calculations 3.3. Medium and Isotope Effects 3.4. Factors That Influence Carbon Shifts 3.5. Carbon Chemical Shifts and Structure 3.5a. Saturated Aliphatics 3.5b. Unsaturated Compounds 3.5c. Carbonyl Groups 3.5d. Programs for Empirical Calculation 3.6. Tables of Chemical Shifts Problems Further Tips on Solving NMR Problems Bibliography 4. The Coupling Constant 4.1. First- and Second-Order Effects 4.2. Chemical and Magnetic Equivalence 4.3. Signs and Mechanisms of Coupling 4.4. Couplings over One Bond 4.5. Geminal Couplings 4.6. Vicinal Couplings 4.7. Long-Range Couplings 4.8. Spectral Analysis 4.9. Tables of Coupling Constants Problems Bibliography 5. Further Topics in One-Dimensional NMR Spectroscopy 5.1. Spin-Lattice and Spin-Spin Relaxation 5.2. Reactions on the NMR Time Scale 5.3. Multiple Resonance 5.4. The Nuclear Overhauser Effect 5.5. Spectral Editing 5.6. Sensitivity Enhancement 5.7. Carbon Connectivity 5.8. Phase Cycling, Composite Pulses, and Shaped Pulses Problems Bibliography 6. Two-Dimensional NMR Spectroscopy 6.1. Proton-Proton Correlation Through J Coupling 6.2. Proton-Heteronucleus Correlation 6.3. Proton-Proton Correlation Through Space or Chemical Exchange 6.4. Carbon-Carbon Correlation 6.5. Higher Dimensions 6.6. Pulsed Field Gradients 6.7. Diffusion-Ordered Spectroscopy 6.7. Summary of Two-Dimensional Methods Problems Bibliography 7. Advanced Experimental Methods Part A. One-Dimensional Techniques 7.1. T1 Measurements 7.2. 13C Spectral Editing Experiments 7.2a. The APT Experiment 7.2b. The DEPT Experiment 7.3. NOE Experiments 7.3a. The NOE Difference Experiment 7.3b. The Double-Pulse, Field-Gradient, Spin-Echo NOE Experiment Part B. Two-Dimensional Techniques 7.4. Two-Dimensional NMR Data-Acquisition Parameters 7.4a. Number of Data Points 7.4b. Number of Time Increments 7.4c. Spectral Widths 7.4d. Acquisition Time 7.4e. Transmitter Offset 7.4f. Flip Angle 7.4g. Relaxation Delay 7.4h. Receiver Gain 7.4i. Number of Scans per Time Increment 7.4j. Steady-State Scans 7.5. Two-Dimensional NMR Data-Processing Parameters 7.5a. Weighting Functions 7.5b. Zero Filling 7.5c. Digital Resolution 7.5d. Linear Prediction 7.6. Two-Dimensional NMR Data Display 7.6a. Phasing and Zero Referencing 7.6b. Symmetrization 7.6c. Use of Cross Sections in Analysis Part C. Two-Dimensional Techniques: The Experiments 7.7. Homonuclear Chemical-Shift Correlation Experiments via Scalar Coupling 7.7a. The COSY Family: COSY-90°, COSY-45°, Long-Range COSY, and DQF-COSY 7.7b. The TOCSY Experiment 7.8. Direct Heteronuclear Chemical-Shift Correlation via Scalar Coupling 7.8a. The HMQC Experiment 7.8b. The HSQC Experiment 7.8c. The HETCOR Experiment 7.9. Indirect Heteronuclear Chemical-Shift Correlation via Scalar Coupling 7.9a. The HMBC Experiment 7.9b. The FLOCK Experiment 7.9c. The HSQC-TOCSY Experiment 7.10. Homonuclear Chemical-Shift Correlation via Dipolar Coupling 7.10a. The NOESY Experiment 7.10b. The ROESY Experiment 7.11. 1D and Advanced 2D Experiments 7.11a. The 1D TOCSY Experiment 7.11b. The 1D NOESY and ROESY Experiments 7.11c. The Multiplicity-Edited HSQC Experiment 7.11d. The H2BC Experiment 7.11e. Nonuniform Sampling 7.11f. Pure Shift NMR 7.11g. Covariance NMR 7.12. Pure Shift-Covariance NMR Bibliography 8. Structural Elucidation: An Example Part A. Spectral Analysis 8.1. 1H NMR Data 8.2. 13C NMR Data 8.3. The DEPT Experiment 8.4. The HSQC Experiment 8.5. The COSY Experiment 8.6. The HMBC Experiment 8.7. General Molecular Assembly Strategy 8.8. A Specific Molecular Assembly Procedure 8.9. The NOESY Experiment Part B Computer-Assisted Structure Elucidation 8.10. CASE Procedures 8.11. T-2 Toxin Appendix 1 Derivation of the NMR Equation Appendix 2 The Bloch Equations Appendix 3 Quantum Mechanical Treatment of the Two-Spin System Appendix 4 Analysis of Second-Order, Three- and Four-Spin Systems by Inspection Appendix 5 Relaxation Appendix 6 Product-Operator Formalism and Coherence-Level Diagrams Bibliography Appendix 7 Stereochemical Considerations A7.1. Homotopic Groups A7.2. Enantiotopic Groups A7.3. Diastereotopic Groups Bibliography Index

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Book SynopsisCovers solid-state NMR spectroscopy and offers descriptions of the major experiments focussing on what the experiments do and what they tell the researcher. This book offers an introduction to the subject. It features descriptions backed up by separate mathematical explanations. It is intended for those using solid-state NMR spectroscopy.Trade Review"Overall this is an excellent book and one that I personally will find very useful. I will recommend it to my postgraduate students and prostdoctoral research fellows for its detailed and careful explanations of a wide range of experimental methods in solid-state NMR spectroscopy." "The book is clear and straightforward...the level of detail is very impressive and the author does not shirk her duty to explain some of the most notoriously difficult concepts in this area." Chemistry World, Vol 2, No 1, January 2005 "The theoretical approaches, the description of methods and the demonstration of the applications are clearly given in this book, which can be recommended to students and researchers in physical, analytical and organic chemistry and also biology who need access to solid-state NMR for the characterization of structures and dynamics of chemical or biological compounds.” Magnetic Resonance in Chemistry, 2004, vol 42Table of ContentsPreface, xii Acknowledgements, xv 1 The Basics of NMR, 1 1.1 The vector model of pulsed NMR, 1 1.1.1 Nuclei in a static, uniform magnetic field, 2 1.1.2 The effect of rf pulses, 3 1.2 The quantum mechanical picture: hamiltonians and the Schrödinger equation, 5 Box 1.1 Quantum mechanics and NMR, 6 Wavefunctions, 6 Operators, physical observables and expectation values, 7 Schrödinger’s equation, eigenfunctions and eigenvalues, 7 Spin operators and spin states, 8 Dirac’s bra-ket notation, 11 Matrices, 11 1.2.1 Nuclei in a static, uniform field, 12 1.2.2 The effect of rf pulses, 15 Box 1.2 Exponential operators, rotation operators and rotations, 19 Rotation of vectors, wavefunctions and operators (active rotations), 20 Rotation of axis frames, 23 Representation of rf fields, 25 Euler angles, 25 Rotations with Euler angles, 26 Rotation of Cartesian axis frames, 27 1.3 The density matrix representation and coherences, 29 1.3.1 Coherences and populations, 30 1.3.2 The density operator at thermal equilibrium, 33 1.3.3 Time evolution of the density matrix, 34 1.4 Nuclear spin interactions, 37 1.4.1 Interaction tensors, 41 1.5 General features of Fourier transform NMR experiments, 43 1.5.1 Multidimensional NMR, 43 1.5.2 Phase cycling, 46 1.5.3 Quadrature detection, 48 Box 1.3 The NMR spectrometer, 53 Generating rf pulses, 53 Detecting the NMR signal, 56 Notes, 58 References, 59 2 Essential Techniques for Solid-State NMR, 60 2.1 Introduction, 60 2.2 Magic-angle spinning (MAS), 61 2.2.1 Spinning sidebands, 62 2.2.2 Rotor or rotational echoes, 67 2.2.3 Removing spinning sidebands, 67 2.2.4 Setting the magic-angle and spinning rate, 72 2.2.5 Magic-angle spinning for homonuclear dipolar couplings, 75 2.3 Heteronuclear decoupling, 77 2.3.1 High-power decoupling, 78 2.3.2 Other heteronuclear decoupling sequences, 81 2.4 Homonuclear decoupling, 83 2.4.1 Implementing homonuclear decoupling sequences, 83 Box 2.1 Average hamiltonian theory and the toggling frame, 86 Average hamiltonian theory, 86 The toggling frame and the WAHUHA pulse sequence, 89 2.5 Cross-polarization, 96 2.5.1 Theory, 97 2.5.2 Setting up the cross-polarization experiment, 101 Box 2.2 Cross-polarization and magic-angle spinning, 106 2.6 Echo pulse sequences, 110 Notes, 113 References, 114 3 Shielding and Chemical Shift: Theory and Uses, 116 3.1 Theory, 116 3.1.1 Introduction, 116 3.1.2 The chemical shielding hamiltonian, 117 3.1.3 Experimental manifestations of the shielding tensor, 120 3.1.4 Definition of the chemical shift, 123 3.2 The relationship between the shielding tensor and electronic structure, 125 3.3 Measuring chemical shift anisotropies, 131 3.3.1 Magic-angle spinning with recoupling pulse sequences, 132 3.3.2 Variable-angle spinning experiments, 135 3.3.3 Magic-angle turning, 138 3.3.4 Two-dimensional separation of spinning sideband patterns, 141 3.4 Measuring the orientation of chemical shielding tensors in the molecular frame for structure determination, 145 Notes, 149 References, 149 4 Dipolar Coupling: Theory and Uses, 151 4.1 Theory, 151 4.1.1 Homonuclear dipolar coupling, 154 Box 4.1 Basis sets for multispin systems, 156 4.1.2 The effect of homonuclear dipolar coupling on a spin system, 157 4.1.3 Heteronuclear dipolar coupling, 160 4.1.4 The effect of heteronuclear dipolar coupling on the spin system, 162 4.1.5 Heteronuclear spin dipolar coupled to a homonuclear network of spins, 163 4.1.6 The spherical tensor form of the dipolar hamiltonian, 164 Box 4.2 The dipolar hamiltonian in terms of spherical tensor operators, 164 Spherical tensor operators, 165 Interaction tensors, 167 The homonuclear dipolar hamiltonian under static and MAS conditions, 167 4.2 Introduction to the uses of dipolar coupling, 172 4.3 Techniques for measuring homonuclear dipolar couplings, 175 4.3.1 Recoupling pulse sequences, 175 Box 4.3 Analysis of the DRAMA pulse sequence, 180 Simulating powder patterns from the DRAMA experiment, 184 4.3.2 Double-quantum filtered experiments, 185 Box 4.4 Excitation of double-quantum coherence under magic-angle spinning, 189 The form of the reconversion pulse sequence: the need for timereversal symmetry, 191 Analysis of the double-quantum filtered data, 195 Box 4.5 Analysis of the C7 pulse sequence for exciting double-quantum coherence in dipolar-coupled spin pairs, 196 4.3.3 Rotational resonance, 199 Box 4.6 Theory of rotational resonance, 202 Effect of H ˆ ∆ term on the density operator, 203 The hamiltonian in the new rotated frame, 204 The average hamiltonian, 205 4.4 Techniques for measuring heteronuclear dipolar couplings, 207 4.4.1 Spin-echo double resonance (SEDOR), 207 4.4.2 Rotational-echo double resonance (REDOR), 208 Box 4.7 Analysis of the REDOR experiment, 210 4.5 Techniques for dipolar-coupled quadrupolar–spin-1–2 pairs, 215 4.5.1 Transfer of population in double resonance (TRAPDOR), 216 4.5.2 Rotational-echo adiabatic-passage double-resonance (REAPDOR), 219 4.6 Techniques for measuring dipolar couplings between quadrupolar nuclei, 220 4.7 Correlation experiments, 221 4.7.1 Homonuclear correlation experiments for spin-1–2 systems, 221 4.7.2 Homonuclear correlation experiments for quadrupolar spin systems, 224 4.7.3 Heteronuclear correlation experiments for spin-1–2, 226 4.8 Spin-counting experiments, 227 4.8.1 The formation of multiple-quantum coherences, 228 4.8.2 Implementation of spin-counting experiments, 231 Notes, 232 References, 233 5 Quadrupole Coupling: Theory and Uses, 235 5.1 Introduction, 235 5.2 Theory, 237 5.2.1 The quadrupole hamiltonian, 237 Box 5.1 The quadrupole hamiltonian in terms of spherical tensor operators: the effect of the rotating frame and magic-angle spinning, 242 The quadrupole hamiltonian in terms of spherical tensor operators, 242 The effect of the rotating frame: first- and second-order average hamiltonians for the quadrupole interaction, 243 The energy levels under quadrupole coupling, 248 The effect of magic-angle spinning, 248 5.2.2 The effect of rf pulses, 249 5.2.3 The effects of quadrupolar nuclei on the spectra of spin-1–2 nuclei, 252 5.3 High-resolution NMR experiments for half-integer quadrupolar nuclei, 255 5.3.1 Magic-angle spinning (MAS), 256 5.3.2 Double rotation (DOR), 259 5.3.3 Dynamic-angle spinning (DAS), 260 5.3.4 Multiple-quantum magic-angle spinning (MQMAS), 263 5.3.5 Satellite transition magic-angle spinning (STMAS), 268 5.3.6 Recording two-dimensional datasets for DAS, MQMAS and STMAS, 275 5.4 Other techniques for half-integer quadrupole nuclei, 280 5.4.1 Quadrupole nutation, 282 5.4.2 Cross-polarization, 285 Notes, 290 References, 291 6 NMR Techniques for Studying Molecular Motion in Solids, 293 6.1 Introduction, 293 6.2 Powder lineshape analysis, 296 6.2.1 Simulating powder pattern lineshapes, 297 6.2.2 Resolving powder patterns, 305 6.2.3 Using homonuclear dipolar-coupling lineshapes – the WISE experiment, 311 6.3 Relaxation time studies, 313 6.4 Exchange experiments, 316 6.4.1 Achieving pure absorption lineshapes in exchange spectra, 318 6.4.2 Interpreting two-dimensional exchange spectra, 320 6.5 2H NMR, 322 6.5.1 Measuring 2H NMR spectra, 323 6.5.2 2H lineshape simulations, 328 6.5.3 Relaxation time studies, 329 6.5.4 2H exchange experiments, 330 6.5.5 Resolving 2H powder patterns, 332 Notes, 334 References, 335 Appendix A NMR Properties of Commonly Observed Nuclei, 336 Appendix B The General Form of a Spin Interaction Hamiltonian in Terms of Spherical Tensors and Spherical Tensor Operators, 337 References, 343 Index, 344

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Book SynopsisBeginning with a review of the important areas of mathematics, this book then covers many of the underlying theoretical and practical aspects of NMR and MRI spectroscopy from a maths point of view. Competence in algebra and introductory calculus is needed but all other maths concepts are covered. It will bridge a gap between high level and introductory titles used in NMR or MRI spectroscopy. Uniquely, it takes a very careful and pedagogical approach to the mathematics behind NMR and MRI. It leaves out very few steps, which distinguishes it from other books in the field. The author is an NMR laboratory manager and is sympathetic to the frustrations of trying to understand where some of the fundamental equations come from hence his desire to either explicitly derive all equations for the reader or direct them to derivations. This is an essential text aimed at graduate students who are beginning their careers in NMR or MRI spectroscopy and laboratory managers if they need an understanding of the theoretical foundations of the technique.Trade ReviewExcellent for many aspects of NMR spectroscopy, including the treatment of product operator formalism and density matrix. -- Gianluigi Veglia * University of Minnesota *The tallest hurdle faced by practitioners of NMR and MRI, is an understanding of the high level mathematics needed to describe the techniques.There are many papers and books on magnetic resonance which present either over-simplistic explanations, in order to avoid the detailed mathematics, or provide very detailed descriptions without an adequate explanation of the mathematics employed. Essential Mathematics for NMR and MRI Spectroscopists is the first book to addresses these problems in a comprehensive manner. The only prerequisites for the reader are an undergraduate level of mathematics and a general familiarity of the fundamentals of NMR spectroscopy. With the end goal being a detailed understanding of NMR and MRI, the first third of the book introduces all of the necessary mathematics required to understand the chapters thereafter. Those with a good undergraduate foundation in mathematics will find most of this to be a useful review but will likely learn more. The concepts of complex numbers, vectors, matrices, linear algebra, calculus, probability and statistics are reviewed in detail. With very few exceptions, all derivations are explicit and easy to follow. Frequent reference is made to a very well written appendix providing details for identities, theorems and concepts used. After the mathematics is introduced, classical and quantum mechanics are described in sufficient detail to understand their relevance and application to the theory of NMR spectroscopy which is the subject of all but the last of the remaining chapters of the book. The last chapter is devoted to electronics – a subject of much relevance to NMR laboratory technical staff. Very detailed descriptions of the Bloch equations, angular momentum, Hamiltonian operators, density matrices, product operators, coherence transfer, relaxation, nuclear Overhauser effects and magnetic resonance imaging are given for which the reader will have a new appreciation and greater understanding from a mathematical perspective. This well written book is a valuable resource for graduate students, post-doctoral fellows, university faculty members and NMR practitioners in search of a deeper understanding of magnetic resonance theory. It is ideally suited as a textbook for graduate level courses in NMR theory and must certainly be added as additional reading for any other course in NMR spectroscopy. Unlike many books on mathematics and physics, this book is relatively easy to read. The author has sprinkled the text generously with insightful (and often amusing) footnotes bringing a personal perspective to the material. -- Glenn A. Facey, NMR Facility Manager, University of OttawaTable of ContentsComplex Numbers; Matrices; Vectors; Vector Calculus; Tensor Analysis; Probability and Statistics; Waves; Fourier Transforms; Classical Mechanics; Special Relativity; Electric and Magnetic Fields; The Magnetic Moment and the Bloch Equations; Quantum Mechanics; The Hamiltonians of NMR; The Quantum Mechanics of Angular Momentum; NMR Rotation Operators; Density Operators; The Product Operator Formalism; Relaxation and the NOE; Data Processing; Coherence Transfer; Electronics; Appendices

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Book SynopsisThis book consists of a series of lectures introducing what the author believes to be the theoretical minimum for the understanding of nuclear spin dynamics, the branch of physics underpinning magnetic resonance techniques such as NMR and MRI. Spin dynamics ultimately concern the study of the state and time evolution of systems made by a large collection of particles possessing spin, one of the most subtle and indeed fascinating concepts in relativistic quantum mechanics and whose understanding requires a mix of quantum mechanics, Hamiltonian dynamics and advanced mathematics. Written in the concise and direct style appropriate for university lectures, this book is addressed to both undergraduate and postgraduate students who are approaching magnetic resonance studies and want to reach the theoretical minimum required to understand the wider topic and its main applications. The book is suitable for researchers who work in the field of magnetic resonance and want to know more about its theoretical fundamentals. Finally, built as a complete set of 12 lectures and 4 workshops, the book can act as a solid reference to lecturers of magnetic resonance university modules. Trained in a world-leading research laboratory internationally recognised for its contributions to the NMR field, the author has a track record in theoretical and methodological developments of nuclear spin dynamics. In this book, he tries to merge his passion for the understanding of physics through its mathematical rendering with his personal quest for the elegance of a clean, clear and satisfactory explanation.Table of ContentsLecture 1: Operator and Superoperator Algebra; Lecture 2: Spin; Lecture 3: The Quantum Description of an Isolated Spin-1/2; Lecture 4: Irreducible Spherical Tensors; Lecture 5: Perturbation Methods; Lecture 6: The Spin Hamiltonian; Lecture 7: The Radiofrequency Hamiltonian and the Rotating Frame; Lecture 8: The Dynamics of an Isolated Spin-1/2; Lecutre 9: The Density Operator; Lecture 10: The Dynamics of a Single Spin-1/2 Ensemble; Lecture 11: The Dynamics of an Ensemble of Coupled Spin-1/2 Pairs; Lecture 12: A Relaxation Theory of Nuclear Spin States; Workshop 1: Spin States and Operators; Workshop 2: Spherical Tensors and Spin Hamiltonians; Workshop 3: The Dynamics of Single Spin-1/2 Systems; The Dynamics of an Ensemble of Spin-1/2 Pairs and Spin Relaxation

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Book SynopsisNuclear magnetic resonance (NMR) spectroscopy, a technique widely used for structure determination by chemists and biochemists, is based on the detection of tiny radio signals emitted by the nucleus of an atom when immersed in a strong magnetic field. Every chemical substance gives rise to a recognizable NMR signature closely related to its molecular structure. This comprehensive account adopts an accessible, pictorial approach to teach the fundamental principles of high resolution NMR. Mathematical formalism is used sparingly, and everyday analogies are used to provide insight into the physical behaviour of nuclear spins. The first three chapters set out the basic tools for understanding the rest of the book. Each of the remaining chapters provides a self- contained reference to a specific theme, for example spin echoes, and traces the way it influences our understanding of high resolution NMR methodology. Spin Choreography provides a clear and an authoritative introduction to the funTable of Contents1. Energy levels ; 2. Vector model ; 3. Product operator formalism ; 4. Spin echoes ; 5. Soft radiofrequency pulses ; 6. Separating the wheat from the chaff ; 7. Broadband decoupling ; 8. Two-dimensional spectroscopy ; 9. Nuclear Overhauser effect ; 10. In defence of noise ; 11. Water ; 12. Measurement of coupling constants

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Book SynopsisThis text discusses the high-resolution NMR of liquid samples and concentrates exclusively on spin-half nuclei (mainly 1 H and 13 C). It is aimed at people who are familiar with the use of routine NMR for structure determination and who wish to deepen their understanding of just exactly how NMR experiments work.Table of ContentsPreface v Preface to the first edition vi 1 What this book is about and who should read it 1 1.1 How this book is organized 2 1.2 Scope and limitations 3 1.3 Context and further reading 3 1.4 On-line resources 4 1.5 Abbreviations and acronyms 4 2 Setting the scene 5 2.1 NMR frequencies and chemical shifts 5 2.2 Linewidths, lineshapes and integrals 9 2.3 Scalar coupling 10 2.4 The basic NMR experiment 13 2.5 Frequency, oscillations and rotations 15 2.6 Photons 20 2.7 Moving on 21 2.8 Further reading 21 2.9 Exercises 22 3 Energy levels and NMR spectra 23 3.1 The problem with the energy level approach 24 3.2 Introducing quantum mechanics 26 3.3 The spectrum from one spin 31 3.4 Writing the Hamiltonian in frequency units 34 3.5 The energy levels for two coupled spins 35 3.6 The spectrum from two coupled spins 38 3.7 Three spins 40 3.8 Summary 44 3.9 Further reading 44 3.10 Exercises 45 4 The vector model 47 4.1 The bulk magnetization 47 4.2 Larmor precession 50 4.3 Detection 51 4.4 Pulses 52 4.5 On-resonance pulses 57 4.6 Detection in the rotating frame 60 4.7 The basic pulse–acquire experiment 60 4.8 Pulse calibration 61 4.9 The spin echo 63 4.10 Pulses of different phases 66 4.11 Off-resonance effects and soft pulses 67 4.12 Moving on 71 4.13 Further reading 71 4.14 Exercises 72 5 Fourier transformation and data processing 77 5.1 How the Fourier transform works 78 5.2 Representing the FID 82 5.3 Lineshapes and phase 83 5.4 Manipulating the FID and the spectrum 90 5.5 Zero filling 99 5.6 Truncation 100 5.7 Further reading 101 5.8 Exercises 102 6 The quantum mechanics of one spin 105 6.1 Introduction 105 6.2 Superposition states 106 6.3 Some quantum mechanical tools 107 6.4 Computing the bulk magnetization 112 6.5 Summary 117 6.6 Time evolution 118 6.7 RF pulses 123 6.8 Making faster progress: the density operator 126 6.9 Coherence 134 6.10 Further reading 135 6.11 Exercises 136 7 Product operators 139 7.1 Operators for one spin 139 7.2 Analysis of pulse sequences for a one-spin system 143 7.3 Speeding things up 146 7.4 Operators for two spins 149 7.5 In-phase and anti-phase terms 152 7.6 Hamiltonians for two spins 157 7.7 Notation for heteronuclear spin systems 157 7.8 Spin echoes and J-modulation 158 7.9 Coherence transfer 166 7.10 The INEPT experiment 167 7.11 Selective COSY 171 7.12 Coherence order and multiple-quantum coherences 173 7.13 Summary 178 7.14 Further reading 179 7.15 Exercises 180 8 Two-dimensional NMR 183 8.1 The general scheme for two-dimensional NMR 184 8.2 Modulation and lineshapes 187 8.3 COSY 190 8.4 DQF COSY 200 8.5 Double-quantum spectroscopy 203 8.6 Heteronuclear correlation spectra 208 8.7 HSQC 209 8.8 HMQC 212 8.9 Long-range correlation: HMBC 215 8.10 HETCOR 220 8.11 TOCSY 221 8.12 Frequency discrimination and lineshapes 226 8.13 Further reading 236 8.14 Exercises 238 9 Relaxation and the NOE 241 9.1 The origin of relaxation 242 9.2 Relaxation mechanisms 249 9.3 Describing random motion – the correlation time 251 9.4 Populations 258 9.5 Longitudinal relaxation behaviour of isolated spins 263 9.6 Longitudinal dipolar relaxation of two spins 267 9.7 The NOE 274 9.8 Transverse relaxation 286 9.9 Homogeneous and inhomogeneous broadening 300 9.10 Relaxation due to chemical shift anisotropy 304 9.11 Cross correlation 306 9.12 Summary 311 9.13 Further reading 311 9.14 Exercises 313 10 Advanced topics in two-dimensional NMR 319 10.1 Product operators for three spins 320 10.2 COSY for three spins 325 10.3 Reduced multiplets in COSY spectra 330 10.4 Polarization operators 337 10.5 ZCOSY 345 10.6 HMBC 347 10.7 Sensitivity-enhanced experiments 349 10.8 Constant time experiments 353 10.9 TROSY 358 10.10 Double-quantum spectroscopy of a three-spin system 366 10.11 Further reading 374 10.12 Exercises 376 11 Coherence selection: phase cycling and field gradient pulses 381 11.1 Coherence order 382 11.2 Coherence transfer pathways 387 11.3 Frequency discrimination and lineshapes 389 11.4 The receiver phase 391 11.5 Introducing phase cycling 395 11.6 Some phase cycling ‘tricks’ 401 11.7 Axial peak suppression 403 11.8 CYCLOPS 403 11.9 Examples of practical phase cycles 404 11.10 Concluding remarks about phase cycling 408 11.11 Introducing field gradient pulses 409 11.12 Features of selection using gradients 416 11.13 Examples of using gradient pulses 421 11.14 Advantages and disadvantages of coherence selection with gradients 426 11.15 Suppression of zero-quantum coherence 426 11.16 Selective excitation with the aid of gradients 432 11.17 Further reading 435 11.18 Exercises 436 12 Equivalent spins and spin system analysis 441 12.1 Strong coupling in a two-spin system 442 12.2 Chemical and magnetic equivalence 446 12.3 Product operators for AXn (InS) spin systems 450 12.4 Spin echoes in InS spin systems 455 12.5 INEPT in InS spin systems 458 12.6 DEPT 462 12.7 Spin system analysis 468 12.8 Further reading 477 12.9 Exercises 478 13 How the spectrometer works 483 13.1 The magnet 483 13.2 The probe 485 13.3 The transmitter 486 13.4 The receiver 488 13.5 Digitizing the signal 489 13.6 Quadrature detection 491 13.7 The pulse programmer 493 13.8 Further reading 493 13.9 Exercises 494 A Some mathematical topics 495 A.1 The exponential function and logarithms 495 A.2 Complex numbers 497 A.3 Trigonometric identities 499 A.4 Further reading 500 Index 501

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Book SynopsisThe medical MRI community is by far the largest user of diffusion NMR techniques and this book captures the current surge of methods and provides a primary source to aid adoption in this field. There is a trend to adapting the more advanced diffusion encoding sequences developed by NMR researchers within the fields of porous media, chemical engineering, and colloid science to medical research. Recently published papers indicate great potential for improved diagnosis of the numerous pathological conditions associated with changes of tissue microstructure that are invisible to conventional diffusion MRI. This book disseminates these recent developments to the wider community of MRI researchers and clinicians. The chapters cover the theoretical basis, hardware and pulse sequences, data analysis and validation, and recent applications aimed at promoting further growth in the field. This is a fast moving field and chapters are written by key MRI scientists that have contributed to the successful translation of the advanced diffusion NMR methods to the context of medical MRI, from global locations.Table of ContentsDiffusion Encoding with General Gradient Waveforms; Diffusion Anisotropy and Tensor-valued Diffusion Encoding; Restricted Diffusion and Spectral Content of the Gradient Waveforms; Disentangling Intercompartment Exchange from Restricted Diffusion; Resolving Incoherent Flow from Diffusion Using Velocity-compensated Diffusion Encoding; Estimating Chemical and Microstructural Heterogeneity by Correlating Relaxation Rates and Diffusion Tensors; Hardware for Generating Modulated Gradient Waveforms with High Precision; Pulse Sequences Combining Advanced Diffusion Encoding and Image Read-out; Diagnosing and Alleviating Imaging Artifacts from Eddy Currents and Concomitant Gradients; Nonparametric Inversion of Advanced Diffusion Data; Model-based Analysis of Advanced Diffusion Data; Phantoms for Validating Advanced Diffusion Sequences; Correlating Advanced Diffusion MRI with Histology

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Book SynopsisSince the introduction of FT-NMR spectroscopy around five decades ago, NMR has achieved significant advances in hardware and methodologies, accompanied with the enhancement of spectral resolution and signal sensitivity. Rapid developments in the polymers field mean that accurate and quantitative characterization of polymer structures and dynamics is the keystone for precisely regulating and controlling the physical and chemical properties of the polymer. This book specifically focuses on NMR investigation of complex polymers for the polymer community as well as NMR spectroscopists, and will push the development of both fields. It covers the latest advances, for example high field DNP and ultrafast MAS methodologies, and show how these novel NMR methods characterize various synthetic and natural polymers.Table of ContentsApplications of NMR in Polymer Characterization - An Introduction; Application of STD NMR in Organic/Inorganic Polymer Materials; Diffusion and Relaxometry to Study Carbohydrates Dissolved in Ionic Liquids; High Resolution Magic Angle Spinning (HRMAS) Pulse Field Gradient (PFG) NMR Diffusometry Studies of Swollen Polymers; Application of On-line SEC-NMR and DOSY for Practical Polymer Characterization; Dynamics of Polymer Systems Studied by NMR Field-cycling Relaxometry; HR-MAS NMR Characterization of Thermo-responsive Polymer Gels: Network Collapse Dynamics and Intermolecular Interactions; Rubber-state NMR Spectroscopy; Polymer Blends, Nanocomposites, Rubbers and p-Conjugated Polymers; NMR Investigations of Interfaces in Tapered and Inverse-tapered Copolymers in the Solid State; Nanostructures, Conformations, and Intermolecular Interactions in Natural Biopolymers Revealed by Solid-state NMR Spectroscopy; Chain Proximity of Polystyrene in Bulk Polymer, Polymer Blend and Nanocomposites; Dipolar Based NMR Methods for Probing Intermediate Regime Motions in Polymers; Structure and Molecular Dynamics of Semicrystalline Polymers as Studied by Solid-state NMR; Solid-state NMR of Organic Electronics; Molecular Chain Packing and Conformation in p-Conjugated Polymers from Solid-state NMR; Applications of Solid-state NMR in Crystalline Solid Polymer Electrolytes; NMR Characterization of Silk; Solid-state NMR and Membrane Proteins: Key Interactions in Biomacromolecules; Development of Sulfur-33 Nuclear Magnetic Resonance for Structural Study of Crosslinked Rubber; Very Fast MAS NMR >60 kHz for Structural Elucidation; Structural Investigations of Polymer Materials by Dynamic Nuclear Polarisation Solid-state NMR

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Book SynopsisThe idea that a long-lived form of spin order, namely singlet order, can be prepared from nuclear spin magnetisation first emerged in 2004. The unusual properties of singlet order–its long lifetime and the fact that it is NMR silent but interconvertible into other forms of NMR active order—make it a ‘smart tag’ that can be used to store information for a long time or through distant space points. It is not unexpected then, that since its first appearance, this idea has caught the attention of research groups interested in exploiting this form of order in different fields of research spanning from biology to materials science and from hyperpolarisation to quantum computing. This first book on the subject gives a thorough description of the various aspects that affect the development of the topic and details the interdisciplinary applications. The book starts with a section dedicated to the basic theories of long-lived spin order and then proceeds with a description of the state-of-the-art experimental techniques developed to manipulate singlet order. It then concludes by covering the generalization of the concept of singlet order by introducing and discussing other forms of long-lived spin order.Table of ContentsLong-lived States in Nuclear Magnetic Resonance: An Overview; Symmetry and Long-lived Spin Order; Relaxation Theory of Long-lived Spin Order; Design and Synthesis of Molecules Supporting Long-lived Spin Order; Manipulation of Singlet Order by Field-cycling; Manipulating Singlet Order by Chemical Reactions; Manipulating Spin Order by J-synchronised Echo Schemes; Manipulating Singlet Order by Spin-lock Induced Crossing; Manipulating Singlet Order with Adiabatic Pulses; Filters for Long-lived Spin Order; Converting Spin Order from Singlet to Heteronuclear Magnetisation; Long-lived States-based Determination of Ligand Affinity for a Target Protein; Applications of Singlet Order to the Study of Biomolecules and Molecular Interactions; Singlet-assisted Exchange NMR Spectroscopy; Singlet-assisted Diffusion NMR; Q-space Singlet NMR; Long-lived Singlet State: From NMR Quantum Information Perspectives; Singlet Spin Order Originating from Para-H2; Long-lived Spin Order Coupled to SABRE; Long-lived Coherences; Long-lived Spin Order in Methyl Groups; Long-lived Spin Order in CH2D Groups; Singlet Order in Heteronuclear Spin Systems

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Book SynopsisThis book is devoted to presenting current progress in the NMR studies of molecular chirality.

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Book SynopsisIn-cell NMR spectroscopy is a relatively new field. Despite its short history, recent in-cell NMR-related publications in major journals indicate that this method is receiving significant general attention. This book provides the first informative work specifically focused on in-cell NMR. It details the historical background of in-cell NMR, host cells for in-cell NMR studies, methods for in-cell biological techniques and NMR spectroscopy, applications, and future perspectives. Researchers in biochemistry, biophysics, molecular biology, cell biology, structural biology as well as NMR analysts interested in biological applications will all find this book valuable reading.Table of ContentsIn-cell NMR Spectroscopy: From 2001 to Now; Protein NMR in Escherichia coli; In-cell NMR in Eukaryotic Cells - I (Introduction from Outside of Cells); In-cell NMR in Eukaryotic Cells - II (Direct Protein Expression); Protein Structure Determination in Living Cells from NOE-derived Distance Restraints; In-cell Structure Determination Using Paramagnetic NMR Spectroscopy; Bioreactor System for In-cell NMR Observation; 19F In-cell NMR; Cellular Solid-state NMR Spectroscopy; In-cell EPR; In-cell NMR: Spectral Optimization and Population Adjustment by Rational Protein Engineering; Protein Stability and Weak Intracellular Interactions; Protein Folding, Maturation and Redox State; All-atom Molecular Dynamics Simulation of Proteins in Crowded Environments; Primary Drug Screening by In-cell NMR Spectroscopy; In-cell NMR Spectroscopy of Nucleic Acids

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Book SynopsisThis volume focuses on solution and solid-state NMR of carbohydrates, glycoproteins, glyco-technologies, biomass and related topics. It is estimated that at least 80% of all proteins are glycoproteins. Because of the complexity, heterogeneity and flexibility of the sugar chains, the structural biology approaches for glycoconjugates have been generally avoided. NMR techniques although well established for structural analyses of proteins and nucleic acids, cannot be simply applied to this complex class of biomolecules. Nonetheless, recently developed NMR techniques for carbohydrates open the door to conformational studies of a variety of sugar chains of biological interest. NMR studies on glycans will have significant impact on the development of vaccines, adjuvants, therapeutics, biomarkers and on biomass regeneration. In this volume, the Editors have collected the most up-to-date NMR applications from experts in the field of carbohydrate NMR spectroscopy. Timely and useful, not only for NMR specialists, it will appeal to researchers in the general field of structural biology, biochemistry and biophysics, molecular and cellular biology and material science.Table of ContentsIntramolecular Hydrogen Bonding in Glycans in Aqueous Solution; NMR Spin-Couplings in Saccharides: Relationships between Structure, Conformation and the Magnitudes of JHH, JCH and JCC Values; Insights into Carbohydrate Recognition by 3D Structure Determination of Protein-Carbohydrate Complexes using NMR; Paramagnetic, RDC and RCSA Constraints in the Structural Analysis of Glycans; Lanthanide-Chelating Carbohydrate Conjugates to Detect Carbohydrate-Protein Interactions; NMR Characterization of the Conformations, Dynamics, and Interactions of Glycosphingolipids; NMR Analysis of Glycosyltransferases; Stable Isotope Labeling of Glycoproteins for NMR Study; Quantifying Carbohydrate Motions Through Solution Measurements: Applications to Immunoglobulin G Fc; Analysis of Glycosaminoglycans by 15N-NMR Spectroscopy; NMR Studies of Protein-Glycosaminoglycan Interactions; Solid-state NMR Analysis of Mannose Recognition by Pradimicin A; Structure and Dynamics of Polysaccharides in Plant Cell Walls From Solid-State NMR; New Methods for the Analysis of Heterogeneous Polysaccharides: Lessons Learned from the Heparin Crisis; NMR Chemical Shift Predictions and Structural Elucidation of Oligo- and Polysaccharides by the Computer Program CASPER; NMR Databases for Plant Cell Wall Biopolymers; Polysaccharides as Major Carbon Sources in Environmental Biodiversity

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Book SynopsisNuclear magnetic resonance has proved a uniquely versatile and powerful spectroscopic technique, with applications across chemistry, physics and medicine. The success of NMR and its constant redevelopment means that the literature is vast and wide-ranging. Each chapter in this volume is a distillation of the key recent literature in different areas covering the spectrum of NMR theory and practice, and including solution-state, solid-state and in-vivo NMR. These reports will be invaluable both for new researchers wishing to engage with literature for the first time, and for seasoned practitioners, particularly service managers, wishing to keep in touch with the ever-expanding ways in which NMR is used.Table of ContentsTheory and Computation of Nuclear Shielding; Theoretical and Practical Aspects of Indirect Spin–Spin Couplings; Nuclear Spin Relaxation; Solid State NMR Spectroscopy; Hyperpolarisation Techniques; NMR of Soft Matter Systems; NMR of Proteins and Nucleic Acids; NMR in Living Systems

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Book SynopsisField-cycling NMR relaxometry is evolving into a methodology of widespread interest with recent technological developments resulting in powerful and versatile commercial instruments. Polymers, liquid crystals, biomaterials, porous media, tissue, cement and many other materials of practical importance can be studied using this technique. This book summarises the expertise of leading scientists in the area and the editor is well placed, after four decades of working in this field, to ensure a broad ranging and high quality title. Starting with an overview of the basic principles of the technique and the scope of its use, the content then develops to look at theory, instrumentation, practical limitations and applications in different systems. Newcomers to the field will find this book invaluable for successful use of the technique. Researchers already in academic and industrial settings, interested in molecular dynamics and magnetic resonance, will discover an important addition to the literature.Table of ContentsPrinciple, Purpose and Pitfalls of Field-cycling NMR Relaxometry; Essentials of the Theory of Spin Relaxation as Needed for Field-cycling NMR; New Trends in Field-cycling NMR Technology; Broadband Fast Field-cycling Relaxometer: Requirements, Instrumentation and Verification; Specific Aspects of the Design of Field-cycling Devices; Signal Enhancement for Fast Field-cycling Relaxometry by Dynamic Nuclear Polarization: Basic Principles, Hardware and Methods; Relaxometry at Very Low Frequencies by Rotating-frame Techniques for Complementing the Frequency Domain Explored by Field Cycling; Application of Field-cycling 1H NMR Relaxometry to the Study of Translational and Rotational Dynamics in Liquids and Polymers; Nuclear Magnetic Relaxtion Dispersion of Water-Protein Systems; Environmental Applications of Fast Field-cycling NMR Relaxometry; NMR Relaxometry in Liquid Crystals: Molecular Organization and Molecular Dynamics Interrelation; Interfacial and Intermittent Dynamics of Water in Colloidal Systems as Probed by Fast Field-cycling Relaxometry; Field-cycling Relaxometry of Polymers; Techniques and Applications of Field-cycling Magnetic Resonance in Medicine; High-resolution Applications of Shuttle Field-cycling NMR; Quantum Molecular Tunnelling Studied by Field-cycling NMR; Paramagnetic Complexes and Superparamagnetic Systems; Probing the Dynamics of Petroleum Fluids in Bulk and Confinement by Fast Field-cycling Relaxometry; Applications of Field-cycling NMR Relaxometry to Cement Materials; Application of Fast Field-cycling NMR Relaxometry to Soil Material; Fast Field-cycling NMR Experiments with Hyperpolarized Spins; Subject Index

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Book SynopsisGels are used in a large variety of commercial and scientific products from drug delivery systems and food science to biomedical sensors. They also are invaluable in MRI physics research where they mimic biological tissue and in radiotherapy quality assurance where they are used to capture the three dimensional radiation dose distribution. This unique book discusses the state-of-the-art of NMR and MRI techniques in studying the physics and chemistry of gel systems, in their application as MRI phantoms and as three dimensional radiation dosimeters. The first part of the book will cover the fundamental physical concepts of gels and the NMR techniques to study gel systems. The second part is dedicated to the application of gels in the life sciences and in the medical practice to validate radiotherapy and new MRI techniques. Filling the gap in literature, this volume provides the scientific reader with an extensive overview of possible techniques and methods to study the interesting properties and applications of gels. For the MRI researcher and medical physicist, the book will be a valuable resource in using gel phantoms for validating contemporary MRI techniques and radiotherapy treatments.Table of ContentsGels; NMR Spectroscopy in the Study of the Structure and Dynamics of Gels; NMR Diffusion Measurements; Magnetic Resonance Micro-Imaging of Hydrogels; NMR of Supramolecular Gels; Multinuclear and Solid State NMR of Gels; Cells in Gels: NMR Studies; NMR in Food Technology; Gel based Radiation Dosimetry using Quantitative MRI; Gel Phantoms for MRI Quality Assurance and Testing; Gel Phantoms for Diffusion MRI Studies; Gel Phantoms for Dynamic Contrast Enhanced MRI and Fluor-19 MRI Oximetry

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Book SynopsisSpin Dynamics: Basics of Nuclear Magnetic Resonance, Second Edition is a comprehensive and modern introduction which focuses on those essential principles and concepts needed for a thorough understanding of the subject, rather than the practical aspects.Trade Review?What makes this book stand out compared to similar books is the extensive use of pictures and diagrams, which will make this book more appealing to nonphysicists, like chemists and biologists. That this was achieved without loss of rigor is indeed an accomplishment.? ( Doody?s Reviews , November 2009)Table of ContentsPreface. Preface to the First Edition. Introduction. Part 1 Nuclear Magnetism. 1 Matter. 1.1 Atoms and Nuclei. 1.2 Spin. 1.3 Nuclei. 1.4 Nuclear Spin. 1.5 Atomic and Molecular Structure. 1.6 States of Matter. Notes. Further Reading. Exercises. 2 Magnetism. 2.1 The Electromagnetic Field. 2.2 Macroscopic Magnetism. 2.3 Microscopic Magnetism. 2.4 Spin Precession. 2.5 Larmor Frequency. 2.6 Spin-Lattice Relaxation: Nuclear Paramagnetism. 2.7 Transverse Magnetization and Transverse Relaxation. 2.8 NMR Signal. 2.9 Electronic Magnetism. Notes. Further Reading. Exercises. 3 NMR Spectroscopy. 3.1 A Simple Pulse Sequence. 3.2 A Simple Spectrum. 3.4 Relative Spectral Frequencies: Case of Positive Gyromagnetic Ratio. 3.5 Relative Spectral Frequencies: Case of Negative Gyromagnetic Ratio. 3.6 Inhomogeneous Broadening. 3.7 Chemical Shifts. 3.8 J-Coupling Multiplets. 3.9 Heteronuclear Decoupling. Notes. Further Reading. Exercises. Part 2 The NMR Experiment. 4 The NMR Spectrometer. 4.1 The Magnet. 4.2 The Transmitter Section. 4.3 The Duplexer. 4.4 The Probe. 4.5 The Receiver Section. 4.6 Overview of the Radio-Frequency Section. 4.7 Pulsed Field Gradients. Notes. Further Reading. 5 Fourier Transform NMR. 5.1 A Single-Pulse Experiment. 5.2 Signal Averaging. 5.3 Multiple-Pulse Experiments: Phase Cycling. 5.4 Heteronuclear Experiments. 5.5 Pulsed Field Gradient Sequences. 5.6 Arrayed Experiments. 5.7 NMR Signal. 5.8 NMR Spectrum. 5.9 Two-Dimensional Spectroscopy. 5.10 Three-Dimensional Spectroscopy. Part 3 Quantum Mechanics. 6 Mathematical Techniques. 6.1 Functions. 6.2 Operators. 6.3 Eigenfunctions, Eigenvalues and Eigenvectors. 6.4 Diagonalization. 6.5 Exponential Operators. 6.6 Cyclic Commutation. Notes. Further Reading. Exercises. 7 Review of Quantum Mechanics. 7.1 Spinless Quantum Mechanics. 7.2 Energy Levels. 7.3 Natural Units. 7.4 Superposition States and Stationary States. 7.5 Conservation Laws. 7.6 Angular Momentum. 7.7 Spin. 7.8 Spin-1/2. 7.9 Higher Spin. Notes. Further Reading. Exercises. Part 4 Nuclear Spin Interactions. 8 Nuclear Spin Hamiltonian. 8.1 Spin Hamiltonian Hypothesis. 8.2 Electromagnetic Interactions. 8.3 External and Internal Spin Interactions. 8.4 External Magnetic Fields. 8.5 Internal Spin Hamiltonian. 8.6 Motional Averaging. Notes. Further Reading. Exercises. 9 Internal Spin Interactions. 9.1 Chemical Shift. 9.2 Electric Quadrupole Coupling. 9.3 Direct Dipole-Dipole Coupling. 9.4 J-Coupling. 9.5 Spin-Rotation Interaction. 9.6 Summary of the Spin Hamiltonian Terms. Notes. Further Reading. Exercises. Part 5 Uncoupled Spins. 10 Single Spin-1/2. 10.1 Zeeman Eigenstates. 10.2 Measurement of Angular Momentum: Quantum Indeterminacy. 10.3 Energy Levels. 10.4 Superposition States. 10.5 Spin Precession. 10.6 Rotating Frame. 10.7 Precession in the Rotating Frame. 10.8 Radio-Frequency Pulse. Notes. Further Reading. Exercises. 11 Ensemble of Spins-1/2. 11.1 Spin Density Operator. 11.2 Populations and Coherences. 11.3 Thermal Equilibrium. 11.4 Rotating-Frame Density Operator. 11.5 Magnetization Vector. 11.6 Strong Radio-Frequency Pulse. 11.7 Free Precession Without Relaxation. 11.8 Operator Transformations. 11.9 Free Evolution with Relaxation. 11.10 Magnetization Vector Trajectories. 11.11 NMR Signal and NMR Spectrum. 11.12 Single-Pulse Spectra. Notes. Further Reading. Exercises. 12 Experiments on Non-Interacting Spins-1/2. 12.1 Inversion Recovery: Measurement of T1. 12.2 Spin Echoes: Measurement of T2. 12.3 Spin Locking: Measurement of T1ˆ. 12.4 Gradient Echoes. 12.5 Slice Selection. 12.6 NMR Imaging. Notes. Further Reading. Exercises. 13 Quadrupolar Nuclei. 13.1 Spin I = 1. 13.2 Spin I = 3/2. 13.3 Spin I = 5/2. 13.4 Spins I = 7/2. 13.5 Spins I = 9/2. Notes. Further Reading. Exercises. Part 6 Coupled Spins. 14 Spin-1/2 Pairs. 14.1 Coupling Regimes. 14.2 Zeeman Product States and Superposition States. 14.3 Spin-Pair Hamiltonian. 14.4 Pairs of Magnetically Equivalent Spins. 14.5 Weakly Coupled Spin Pairs. Notes. Further Reading. Exercises. 15 Homonuclear AX System. 15.1 Eigenstates and Energy Levels. 15.2 Density Operator. 15.3 Rotating Frame. 15.4 Free Evolution. 15.5 Spectrum of the AX System: Spin-Spin Splitting. 15.6 Product Operators. 15.7 Thermal Equilibrium. 15.8 Radio-Frequency Pulses. 15.9 Free Evolution of the Product Operators. 15.10 Spin Echo Sandwich. Notes. Further Reading. Exercises. 16 Experiments on AX Systems. 16.1 COSY. 16.2 INADEQUATE. 16.3 INEPT. 16.4 Residual Dipolar Couplings. Notes. Further Reading. Exercises. 17 Many-Spin Systems. 17.1 Molecular Spin System. 17.2 Spin Ensemble. 17.3 Motionally Suppressed J-Couplings. 17.4 Chemical Equivalence. 17.5 Magnetic Equivalence. 17.6 Weak Coupling. 17.7 Heteronuclear Spin Systems. 17.8 Alphabet Notation. 17.9 Spin Coupling Topologies. Notes. Further Reading. Exercises. 18 Many-Spin Dynamics. 18.1 Spin Hamiltonian. 18.2 Energy Eigenstates. 18.3 Superposition States. 18.4 Spin Density Operator. 18.5 Populations and Coherences. 18.6 NMR Spectra. 18.7 Many-Spin Product Operators. 18.8 Thermal Equilibrium. 18.9 Radio-Frequency Pulses. 18.10 Free Precession. 18.11 Spin Echo Sandwiches. 18.12 INEPT in an I2S System. 18.13 COSY in Multiple-Spin Systems. 18.14 TOCSY. Notes. Further Reading Exercises. Part 7 Motion and Relaxation. 19 Motion. 19.1 Motional Processes. 19.2 Motional Time-Scales. 19.3 Motional Effects. 19.4 Motional Averaging. 19.5 Motional Lineshapes and Two-Site Exchange. 19.6 Sample Spinning. 19.7 Longitudinal Magnetization Exchange. 19.8 Diffusion. Notes. Further Reading. Exercises. 20 Relaxation. 20.1 Types of Relaxation. 20.2 Relaxation Mechanisms. 20.3 Random Field Relaxation. 20.4 Dipole-Dipole Relaxation. 20.5 Steady-State Nuclear Overhauser Effect. 20.6 NOESY. 20.7 ROESY. 20.8 Cross-Correlated Relaxation. Notes. Further Reading. Exercises. Appendices. Appendix A. A.1 Euler Angles and Frame Transformations. A.2 Rotations and Cyclic Commutation. A.3 Rotation Sandwiches. A.4 Spin-1/2 Rotation Operators. A.5 Quadrature Detection and Spin Coherences. A.6 Secular Approximation. A.7 Quadrupolar Interaction. A.8 Strong Coupling. A.9 J-Couplings and Magnetic Equivalence. A.10 Spin Echo Sandwiches. A.11 Phase Cycling. A.12 Coherence Selection by Pulsed Field Gradients. A.13 Bloch Equations. A.14 Chemical Exchange. A.15 Solomon Equations. A.16 Cross-Relaxation Dynamics. Notes. Further Reading. Appendix B. B.1 Symbols and Abbreviations. B.2 Answers to the Exercises.

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Book SynopsisThis unique book describes the latest information in the fundamental understanding of the biophysics and biochemistry of articular cartilage using the state-of-the-art practices in NMR and MRI. This is the first book of its kind, written by physicists and chemists on this important tissue, whose degradation contributes to osteoarthritis and related joint diseases. Connecting the fundamental science with the clinical imaging applications, the experts Editors provide an authoritative addition to the literature. Ideal for practising physical scientists and radiologists with an interest in the fundamental science as well as instrument manufacturers and clinical researchers working with articular cartilage.Table of ContentsPart One – Introduction: Introduction to Cartilage; Osmotic Properties of Cartilage; Introduction to NMR and MRI; The Magic Angle Effect in NMR and MRI of Cartilage; Part Two – Physical Properties of Cartilage by Relaxation Anisotropy; Experimental NMR and MRI Techniques for Cartilage Research: Physical Properties of Cartilage by Relaxation Anisotropy; Chemical Properties of Cartilage Studied Using Charged Ions; Quantification of Articular Cartilage Microstructure by the Analysis of the Diffusion Tensor; Sodium and Other Exotic Methods in NMR and MRI of Cartilage; Multi-Quantum Filtered NMR and MRI of Cartilage; Solid-State NMR Techniques to Study the Molecular Dynamics in Cartilage; Ultrashort Echo Time Imaging of Articular Cartilage; Low-Field and Field-Cycling NMR and MRI of Cartilage; The Influence of Specimen and Experimental Conditions on NMR and MRI of Cartilage; Part Three – Biomechanical Properties of Cartilage by NMR and MRI; Diffusion MRI and Poroelastic Biomechanics of Articular Cartilage; Combining Multi-Modal MRI and Biomechanical Modeling to Investigate the Response of Cartilage and Chondrocytes to Mechanical Stimuli; Loading-Induced Changes in Cartilage Studied by NMR and MRI; Part Four– Applications and the Future of Cartilage Research by NMR and MRI; The Critical Role of the Imaging Resolution in MRI of Cartilage – The MRI Microscope; Multi-Component Relaxations in MRI of Cartilage; Uni- and Multi-Parametric Magnetic Resonance Analysis of Cartilage; Magnetic Resonance in the Assessment of Tissue Engineered Cartilage; Complementary Imaging in MRI of Cartilage; Quantitative MRI for Detection of Cartilage Damage; Challenges for the Early Detection of Degenerative; Cartilage Changes Using Magnetic Resonance Imaging In vivo in Humans; Ultrahigh-Field Whole-Body MRI for Cartilage Imaging: Technical Challenges

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Book SynopsisThere has been a recent surge in hardware developments with respect to mobile NMR and MRI systems, from which novel applications are starting to emerge. These comparatively low cost systems allow either for more routine use of NMR and MRI, generally for material quality control, or they allow for the analysis of samples whose size and shape precludes conventional NMR and MRI application. This book will, for the first time, summarise these recent hardware developments, highlight the challenges facing mobile and generally low-field NMR and MRI and describe various applications. Including chapters on commercial applications in well logging and food content measurements, the broad appeal of this book will fill a gap in the literature for NMR spectroscopists, analytical chemists and all those involved in measurement science in both industry and academia.Table of ContentsIntroduction; NMR Well logging; Commercial Applications: Bench-top NMR – Food: Solid fat content determination and emulsion droplet sizing; Hardware Developments: Single Sided Magnets; Hardware Developments: Halbach Magnet Arrays; Hardware Developments: Handheld NMR systems for biomolecular sensing; Detection using Squids and Atomic Magnetometers; Software Developments: Improvements in Data Analysis; Emerging Applications: Surface NMR; Rock Core Analysis: Metallic core holders for MRI imaging under resevoir conditions; Outlook: Quo Vadis, NMR?

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