From complex structure elucidation to biomolecular interactions - this applicationoriented textbook covers both theory and practice of modern NMR applications.Part one sets the stage with a general description of NMR introducing important parameters such as the chemical shift and scalar or dipolar couplings. Part two describes the theory behind NMR, providing a profound understanding of the involved spin physics, deliberately kept shorter than in other NMR textbooks, and without a rigorous mathematical treatment of all the physico-chemical computations. Part three discusses technical and practical aspects of how to use NMR. Important phenomena such as relaxation, exchange, or the nuclear Overhauser effects and the methods of modern NMR spectroscopy including multidimensional experiments, solid state NMR, and the measurement of molecular interactions are the subject of part four. The final part explains the use of NMR for the structure determination of selected classes of complex biomolecules, from steroids to peptides or proteins, nucleic acids, and carbohydrates.For chemists as well as users of NMR technology in the biological sciences.

PrefaceINTRODUCTION TO NMR SPECTROSCOPYOur First 1D SpectrumSome Nomenclature: Chemical Shifts, Line Widths, and Scalar CouplingsInterpretation of Spectra: A Simple ExampleTwo-Dimensional NMR Spectroscopy: An IntroductionPART ONE - Basics of Solution NMRBASICS OF 1D NMR SPECTROSCOPYThe Principles of NMR SpectroscopyThe Chemical ShiftScalar CouplingsRelaxation and the Nuclear Overhauser EffectPractical AspectsProblems1H NMRGeneral AspectsChemical ShiftsSpin Systems, Symmetry, and Chemical or Magnetic EquivalenceScalar Coupling1H-1H Coupling ConstantsProblemsNMR OF 13C AND HETERONUCLEIProperties of HeteronucleiIndirect Detection of Spin-1/2 Nuclei13C NMR SpectroscopyNMR of Other Main Group ElementsNMR Experiments with Transition Metal NucleiProblemsPART TWO - Theory of NMR SpectroscopyNUCLEAR MAGNETISM - A MICROSCOPIC VIEWThe Origin of MagnetismSpin - An Intrinsic Property of Many ParticlesExperimental Evidence for the Quantization of the Dipole Moment: The Stern-Gerlach ExperimentThe Nuclear Spin and Its Magnetic Dipole MomentNuclear Dipole Moments in a Homogeneous Magnetic Field: The Zeeman EffectProblemsMAGNETIZATION - A MACROSCOPIC VIEWThe Macroscopic MagnetizationMagnetization at Thermal EquilibriumTransverse Magnetization and CoherencesTime Evolution of MagnetizationThe Rotating Frame of ReferenceRF PulsesProblemsCHEMICAL SHIFT AND SCALAR AND DIPOLAR COUPLINGSChemical ShieldingThe Spin-Spin CouplingProblemsA FORMAL DESCRIPTION OF NMR EXPERIMENTS: THE PRODUCT OPERATOR FORMALISMDescription of Events by Product OperatorsClassification of Spin Terms Used in the POFCoherence Transfer StepsAn Example Calculation for a Simple 1D ExperimentA BRIEF INTRODUCTION INTO THE QUANTUM-MECHANICAL CONCEPT OF NMRWave Functions, Operators, and ProbabilitiesMathematical Tools in the Quantum Description of NMRThe Spin Space of Single Noninteracting SpinsHamiltonian and Time EvolutionFree PrecessionRepresentation of Spin Ensembles - The Density Matrix FormalismSpin SystemsPART THREE - Technical Aspects of NMRTHE COMPONENTS OF AN NMR SPECTROMETERThe MagnetShim Systems and ShimmingThe ElectronicsThe ProbeheadThe Lock SystemProblemsACQUISITION AND PROCESSINGThe Time Domain SignalFourier TransformTechnical Details of Data AcquisitionData ProcessingProblemsEXPERIMENTAL TECHNIQUESRF PulsesPulsed Field GradientsPhase CyclingDecouplingIsotropic MixingSolvent SuppressionBasic 1D ExperimentsMeasuring Relaxation TimesThe INEPT ExperimentThe DEPT ExperimentProblemsTHE ART OF PULSE EXPERIMENTSIntroductionOur Toolbox: Pulses, Delays, and Pulsed Field GradientsThe Excitation BlockThe Mixing PeriodSimple Homonuclear 2D SequencesHeteronuclear 2D Correlation ExperimentsExperiments for Measuring Relaxation TimesTriple-Resonance NMR ExperimentsExperimental DetailsProblemsPART FOUR - Important Phenomena and Methods in Modern NMRRELAXATIONIntroductionRelaxation: The Macroscopic PictureThe Microscopic Picture: Relaxation MechanismsRelaxation and MotionMeasuring 15N Relaxation to Determine Protein DynamicsMeasurement of Relaxation DispersionProblemsTHE NUCLEAR OVERHAUSER EFFECTIntroductionThe Formal Description of the NOE: The Solomon EquationsApplications of the NOE in Stereochemical AnalysisPractical Tips for Measuring NOEsProblemsCHEMICAL AND CONFORMATIONAL EXCHANGETwo-Site ExchangeExperimental Determination of the Rate ConstantsDetermination of the Activation Energy by Variable-Temperature NMR ExperimentsProblemsTWO-DIMENSIONAL NMR SPECTROSCOPYIntroductionThe Appearance of 2D SpectraTwo-Dimensional NMR Spectroscopy: How Does It Work?Types of 2D NMR ExperimentsThree-Dimensional NMR SpectroscopyPractical Aspects of Measuring 2D SpectraProblemsSOLID-STATE NMR EXPERIMENTSIntroductionThe Chemical Shift in the Solid StateDipolar Couplings in the Solid StateRemoving CSA and Dipolar Couplings: Magic-Angle SpinningReintroducing Dipolar Couplings under MAS ConditionsPolarization Transfer in the Solid State: Cross-PolarizationTechnical Aspects of Solid-State NMR ExperimentsProblemsDETECTION OF INTERMOLECULAR INTERACTIONSIntroductionChemical Shift PerturbationMethods Based on Changes in Transverse Relaxation (Ligand-Observe Methods)Methods Based on Changes in Cross-Relaxation (NOEs) (Ligand-Observe or Target-Observe Methods)Methods Based on Changes in Diffusion Rates (Ligand-Observe Methods)Comparison of MethodsProblemsPART FIVE - Structure Determination of Natural Products by NMRCARBOHYDRATESThe Chemical Nature of CarbohydratesNMR Spectroscopy of CarbohydratesQuick IdentificationA Worked Example: SucroseSTEROIDSIntroductionA Worked Example: PrednisonePEPTIDES AND PROTEINSIntroductionThe Structure of Peptides and ProteinsNMR of Peptides and ProteinsAssignment of Peptide and Protein ResonancesA Worked Example: The Pentapeptide TP5NUCLEIC ACIDSIntroductionThe Structure of DNA and RNANMR of DNA and RNAAssignment of DNA and RNA ResonancesAPPENDIXThe Magnetic H and B FieldsMagnetic Dipole Moment and MagnetizationScalars, Vectors, and TensorsProperties of Matrices