Annual Reports on NMR Spectroscopy (eBook)

Front Cover 1
Annual Reports on NMR Spectroscopy, Volume 21 4
Copyright Page 5
Contents 10
List of Contributors 6
Preface 8
Chapter 1. Graphics-aided NMR 14
I. Introduction 14
II. Graphics hardware 15
III. Graphics software/applications on NMR spectrometers 20
IV. Transfer of data to off-line systems 42
V. Off-line processing 43
VI. Summary and conclusions 61
Acknowledgments 61
References 61
Chapter 2. Some Recent Ab Initio Calculations of the NMR Chemical Shift 64
I. Introduction 64
II. Basic principles 66
III. Some theoretical results for heavy atoms 77
IV. Effects of geometry 90
V. Some theoretical results for hydrogen atoms 103
VI. Concluding remarks 106
References 107
Chapter 3. NMR Studies of Membrane Transport 112
I. Introduction 112
II. Comparison with other transport methods 114
III. Methods based on chemical shift differences 116
IV. Methods based on relaxation time differences 142
V. Methods based on bulk magnetic susceptibility differences 153
VI. Methods based on differences in effective diffusion coefficient using pulsed field gradients 159
VII. Transport information from binding studies: gramicidin 162
VIII. Miscellaneous NMR methods 165
References 166
Chapter 4. Recent Developments in Multiple Pulse NMR 174
I. Introduction 175
II. Computational methods 176
III. General aspects of two-dimensional experiments 180
IV. Complex pulses 186
V. Homonuclear two-dimensional and related experiments 192
VI. Heteronuclear experiments 202
References 206
Chapter 5. High-Resolution Solid-State NMR Studies of Synthetic and Biological Macromolecules 222
I. Introduction 223
II. Experimental aspects of solid-state NMR techniques 224
III. Significance of NMR parameters 231
IV. Synthetic polymers 242
V. Biological macromolecules 264
VI. Concluding remarks 291
References 293
Index 304