Magnetic resonance Books

Book SynopsisThis book presents a review of recent developments in NMR applications in pharmaceutical research. Consideration is given to consolidated and emerging techniques and methods, many of which are not yet widely applied but are likely to provide new opportunities for drug design. The first part of the book is dedicated to the description of NMR as a tool for the analysis of chemicals and their interactions with targets. The next seven chapters describe NMR approaches to investigate in vivo models of interest in drug discovery and development, with the attention focused on anatomy, function, metabolism and molecular-cellular aspects. Finally, consideration is given to the application of in vivo NMR to the identification and characterization of biomarkers with the aim of monitoring the outcome of therapeutic intervention in selected human diseases, including the study of drug metabolism and toxicity. Aimed at NMR spectroscopists, pharmacologists, imaging researchers and pharmaceutical scientists, this title is invaluable at putting NMR in context within its role in drug discovery and development. This resource is essential reading for those both new and already active in these areas.Table of ContentsIntroduction; Part I. Small Molecules, Proteins, Cellular Systems: New Applications of High Resolution NMR in Drug Discovery and Development; Solid-state NMR in Drug Discovery and Development; High-Resolution NMR-based Metabolic Profiling in Drug Discovery and Development; In-Cell NMR Spectroscopy to Study Protein–Drug Interactions; Part II. The Whole Organism In Vivo: Increased Sensitivity Using Cryogenic Radiofrequency Coils: Application to In Vivo Phenotyping of Mice; Recent Developments of Contrast Agents, CEST and Low Fields; Pharmacological fMRI in Drug Discovery and Development; In Vivo Proton MR Spectroscopy: Animal and Human Applications at High Fields; Hyperpolarization: Concepts, Techniques and Applications; Combined PET/MRI for Improving Quantitative Imaging; Magnetic Resonance-Based Cell Imaging Using Contrast Media and Reporter Genes; Part III. Translational drug discovery: From Biological Models to the Clinics; Translational Magnetic Resonance Imaging and Spectroscopy: Opportunities and Challenges; In Vivo MRI/S for the Safety Evaluation of Pharmaceuticals; Applications of MRI and MRS in Cartilage Therapeutics and Tissue Engineering; Applications of Magnetic Resonance Spectroscopy to Psychiatric Disorders; Structural Magnetic Resonance Imaging Biomarkers in Neurodegenerative Disease; Magnetic Resonance Imaging in Respiratory Diseases: From Diagnosis to Pharmaceutical Research and Development; Cardiovascular Magnetic Resonance; Magnetic Resonance Imaging Techniques in Cancer; Subject Index

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Book SynopsisThis two volume set focuses on the structure elucidation of natural products. Volume 1 discusses contemporary NMR approaches including optimized and future hardware and experimental approaches to obtain both the highest quality and most appropriate spectral data for analysis. Volume 2 considers data processing and algorithmic based analyses tailored to natural product structure elucidation and reviews the application of NMR to the analysis of a series of different natural product families including marine natural products, terpenes, steroids, and carbohydrates. These books, bringing together acknowledged experts, uniquely focus on the combination of experimental approaches and modern hardware and software applied to the structure elucidation of natural products. The volumes will be an essential resource for NMR spectroscopists, natural product chemists and industrial researchers working on natural product analysis or the characterization of impurities and degradation products of pharma

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Book SynopsisThe complexity and heterogeneity of biological systems has posed an immense challenge in recent years. An increasingly important tool for obtaining molecular and atomic scale information on a range of large biological molecules and cellular components is solid-state NMR. This technique can address fascinating problems in structural biology, including the arrangement of supramolecular complexes and fibril formation in relation to molecular folding, misfolding and aggregation. Advances in Biological Solid-State NMR brings the reader up to date with chapters from international leaders of this growing field, covering the most recent developments in the methodology and applications of solid-state NMR to studies of membrane interactions and molecular motions. A much needed discussion of membrane systems is detailed alongside important developments in in situ analysis. Topics include applications to biological membranes, membrane active peptides, membrane proteins, protein assemblies and in-cell NMR. This exposition of an invaluable technique will interest those working in a range of related spectroscopic and biological fields. A basic introduction invites those interested to familiarise themselves with the basic mathematical and conceptual foundations of solid-state NMR. A thorough and comprehensive discussion of this promising technique follows, which is essential reading for those working or studying at postgraduate level in this exciting field.Table of ContentsIntroduction to Biological Solid-State NMR; Combining NMR Spectroscopic Measurements and Molecular Dynamics Simulations to Determine the Orientation of Amphipathic Peptides in Lipid Bilayers; 13C−13C Distance Measurements by Polarisation Transfer Matrix Analysis of 13C Spin Diffusion in Uniformly 13C-Labeled Molecular Complex under Magic Angle Spinning; Demonstration of the Equivalence of Solid-state NMR Orientational Constraints from Magnetic and Rotational Alignment of the Coat Protein in a Filamentous Bacteriophage; Membrane Protein Interactions; Magnetic liposomes and bicelles: new tools for membrane-peptides structural studies; Membranes and Their Lipids: A Molecular Insight into Their Organization and Function; Structural studies of small bioactive compounds interacting with membranes and proteins; Lipopolysaccharide Induces Raft Domain Expansion in a Cholesterol-Containing Membrane; Deuterium NMR of mixed lipid membranes; Membrane Interactions of Amphiphilic Peptides with Antimicrobial Potential: A Solid-State NMR Study; Investigations of the structure, topology and dynamics of membrane-associated polypeptides by solid-state NMR spectroscopy; NMR of Lipids and Lipid/Peptide Mixtures; NMR investigations of the structure and dynamics of antimicrobial peptides: The peptaibol alamethicin; Solid-state NMR studies of antimicrobial peptide interactions with specific lipid environments; Dynamic Structure Analysis of Peptides in Membranes by Solid-State NMR; Structural Dynamics of Retinal in Rhodopsin Activation Viewed by Solid-State 2H NMR Spectroscopy; Helical Membrane Protein Structure: Strategy for Success; Chemistry and Structure via Solid-State NMR; Photoactivated Structural Changes in Photoreceptor Membrane Proteins as Revealed by in situ Photoirradiation Solid-State NMR Spectroscopy; A Promising Prognosis for Solid-State NMR of Functional Membrane Protein Complexes; Structural Topologies of Phosphorylated and Non-phosphorylated Oligomeric Phospholamban in Lipid Membranes by Hybrid NMR Approach; Structural Insights from solid-state NMR into the Function of the Bacteriorhodopsin Photoreceptor Protein; 2H solid-state NMR study of peptide-membrane interactions in intact bacteria; Magic Angle Spinning NMR Spectroscopy for Resolving Structure and Mechanisms of Function of Membrane Protein Assemblies Involved in Photosynthetic Energy Conversio; Large protein complexes revealed by solution state NMR: G Proteins and G Protein-activated inwardly rectifying potassium ion channel (GIRK); NMR studies of small molecules interacting with amyloidogenic proteins; Solid-State NMR Studies of β-Amyloid Fibrils and Related Assemblies; Subject Index

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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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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 SynopsisThis book describes methods for calculating magnetic resonance spectra which are observed in the presence of random processes. The emphasis is on the stochastic Liouville equation (SLE), developed mainly by Kubo and applied to magnetic resonance mostly by J H Freed and his co-workers. Following an introduction to the use of density matrices in magnetic resonance, a unified treatment of Bloch-Redfield relaxation theory and chemical exchange theory is presented. The SLE formalism is then developed and compared to the other relaxation theories. Methods for solving the SLE are explained in detail, and its application to a variety of problems in electron paramagnetic resonance (EPR) and nuclear magnetic resonance (NMR) is studied. In addition, experimental aspects relevant to the applications are discussed. Mathematical background material is given in appendices.

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Book SynopsisThis edited volume provides an extensive overview of how nuclear magnetic resonance can be an indispensable tool to investigate molecular ordering, phase structure, and dynamics in complex anisotropic phases formed by liquid crystalline materials. The chapters, written by prominent scientists in their field of expertise, provide a state-of-the-art scene of developments in liquid crystal research. The fantastic assortment of shape anisotropy in organic molecules leads to the discoveries of interesting new soft materials made at a rapid rate which not only inject impetus to address the fundamental physical and chemical phenomena, but also the potential applications in memory, sensor and display devices. The review volume also covers topics ranging from solute studies of molecules in nematics and biologically ordered fluids to theoretical approaches in treating elastic and viscous properties of liquid crystals. This volume is aimed at graduate students, novices and experts alike, and provides an excellent reference material for readers interested in the liquid crystal research. It is, indeed, a reference book for every science library to have.Table of ContentsSolving Complex NMR Spectra of Solutes in Liquid Crystals (E E Burnell et al.); Analytical Potentials of NAD-NMR in Oriented Solvents (P Lesot & C Aroulande); Noble Gas Probes in NMR Studies of Liquid Crystals (J Jokisaari); Bicelles - Magic Wand to Study Membrane Proteins by NMR (R Soong et al.); Advances in Proton NMR Relaxometry in Thermotropics (P J Sebastiao et al.); Magnetic Field Distortions of Ferroelectric Mesogens by DNMR (R Y Dong); DNMR of Random Quenched Disorder in 12CB (D Finotello & V Pandya); Dynamics of Liquid Crystals by DNMR Relaxation (C A Veracini & V Domenici); Translational Self-diffusion in Liquid Crystals by NMR Diffusometry (M Cifelli); DNMR Studies of Static and Dynamic Director Alignment in Nematics (A Sugimura & G R Luckhurst); Viscoelastic Properties of Liquid Crystals (A V Zakharov); Carbon-13 NMR Studies of Calamitic Liquid Crystals (R Y Dong); DFT and Carbon-13 NMR in a Biaxial Bent-core Mesogen (A Marini et al.).

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