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9 Two-Dimensional NMR Spectroscopy:

HETCOR, COSY, and TOCSY 353

9.1 Introduction to Two-Dimensional NMR, 353

9.2 HETCOR: A 2D Experiment Created from the 1D INEPT Experiment, 354

9.3 A General Overview of 2D NMR Experiments, 364

9.4 2D Correlation Spectroscopy (COSY), 370

9.5 Understanding COSY with Product Operators, 386

9.6 2D TOCSY (Total Correlation Spectroscopy), 393

9.7 Data Sampling in ti and the 2D Spectral Window, 398

10 Advanced NMR Theory: NOESY and DQF-COSY

10.1 Spin Kinetics: Derivation of the Rate Equation for Cross-Relaxation,

10.2 Dynamic Processes and Chemical Exchange in NMR, 414

10.3 2D NOESY and 2D ROESY, 425

10.4 Expanding Our View of Coherence: Quantum Mechanics and Spherical Operators, 439

10.5 Double-Quantum Filtered COSY (DQF-COSY), 447

10.6 Coherence Pathway Selection in NMR Experiments, 450

10.7 The Density Matrix Representation of Spin States, 469

10.8 The Hamiltonian Matrix: Strong Coupling and Ideal Isotropic (TOCSY) Mixing, 478

11 Inverse Heteronuclear 2D Experiments: HSQC, HMQC, and HMBC 489

11.1 Inverse Experiments: 1H Observe with 13C Decoupling, 490

11.2 General Appearance of Inverse 2D Spectra, 498

11.3 Examples of One-Bond Inverse Correlation (HMQC and HSQC) Without13 C Decoupling, 501

11.4 Examples of Edited, 13 C-Decoupled HSQC Spectra, 504

11.5 Examples of HMBC Spectra, 509

11.6 Structure Determination Using HSQC and HMBC, 517

11.7 Understanding the HSQC Pulse Sequence, 522

11.8 Understanding the HMQC Pulse Sequence, 533

11.9 Understanding the Heteronuclear Multiple-Bond Correlation (HMBC) Pulse Sequence, 535

11.10 Structure Determination by NMR—An Example, 538

12 Biological NMR Spectroscopy 551

12.1 Applications of NMR in Biology, 551

12.2 Size Limitations in Solution-State NMR, 553

12.3 Hardware Requirements for Biological NMR, 558

12.4 Sample Preparation and Water Suppression, 564

12.5 1H Chemical Shifts of Peptides and Proteins, 570

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