Nuclear Magnetic Resonance, Vol. 39 PDF
Preview Nuclear Magnetic Resonance, Vol. 39
Specialist Periodical Reports Edited by G A Webb and K Kamienska-Trela Nuclear Magnetic Resonance Volume 39 Nuclear Magnetic Resonance Webb & Kamienska-Trela Volume 39 Nuclear Magnetic Resonance Volume 39 A Specialist Periodical Report Nuclear Magnetic Resonance Volume 39 A Review of the Literature Published between January 2008 and May 2009 Editors G. A. Webb, formerly Department of Chemistry, University of Surrey, Guildford, UK K. Kamien´ ska-Trela, Polish Academy of Sciences, Warszawa, Poland Authors A. E. Aliev, University College London, UK A. C. de Dios, Georgetown University, Washington, DC, USA G. D’Errico, University of Naples, Italy H. Fukui, Kitami Institute of Technology, Kitami, Japan E. F. Hounsell, Birkbeck, University of London, UK C. J. Jameson, University of Illinois at Chicago, USA C. L. Khetrapal, Centre for Biomedical Magnetic Resonance, Sanjay Gandhi Post Graduate Institute of Medical Sciences Campus, Lucknow, India S. Kuroki, Tokyo Institute of Technology, Tokyo, Japan H. Kurosu, Nara Women’s University, Nara City, Japan R. V. Law, Imperial College of Science and Technology, London, UK N. P. Lobo, Indian Institute of Science, Bangalore, India S. Matsukawa, Tokyo University of Marine Science and Technology, Tokyo, Japan L. Paduano, University of Naples, Italy M. J. W. Prior, University of Nottingham, UK K. V. Ramanathan, Indian Institute of Science, Bangalore, India W. Schilf, Polish Academy of Sciences, Warszawa, Poland P. J. Simpson, Imperial College London, UK T. Watanabe, Kanagawa University, Hiratsuka, Japan J. Wo´ jcik, Polish Academy of Sciences, Warszawa, Poland T. Yamanobe, Gunma University, Gunma, Japan H. Yasunaga, Kyoto Institute of Technology, Kyoto, Japan If you buy this title on standing order, you will be given FREE access to the chapters online. Please contact Preface a b G. A. Webb and K. Kamien´ ska-Trela DOI: 10.1039/9781849730846-FP005 In line with its predecessors, Volume 39 of the SPR on NMR aims to provide a comprehensive coverage of the NMR literature. The relevant literature is that appearing between June 2008 and May 2009. Unfortu- nately the reporter for the Chapter on ‘Nuclear Spin Relaxation in Liquids and Gases’ was unable to fulfil his commission for this Volume. Thus it is intended to include a report covering two years of work in this area in Volume 40. A slightly less familiar aspect of the current volume is that it represents a handover from the old Editor to the new one. We both wish to record our thanks to the members of the reporting team for their conscientious efforts in the preparation and submission of their reports. An especial vote of thanks is due to Professors H. Fukui and E. F. Hounsell, both of whom are longstanding contributors to this series and are retiring from the reporting team with this volume. a Formerly Department of Chemistry, University of Surrey, Guildford, UK b Polish Academy of Sciences, Warszawa, Poland Nucl. Magn. Reson., 2010, 39, v–v | v c The Royal Society of Chemistry 2010 CONTENTS Cover 3D illustrated atom. Image courtesy of Bruker BioSpin Ltd. Preface v G. A. Webb and K. Kamien´ska-Trela Books and reviews 1 W. Schilf Book 1 Regular reviews series 1 Edited books and symposia 1 Reviews in periodicals 1 Reviews and books in foreign languages 1 References 2 Theoretical and physical aspects of nuclear shielding 42 Cynthia J. Jameson and Angel C. De Dios 1. Theoretical aspects of nuclear shielding 42 2. Physical aspects of nuclear shielding 53 References 63 Nucl. Magn. Reson., 2010, 39, vii–xi | vii c The Royal Society of Chemistry 2010 Applications of nuclear shielding 70 Shigeki Kuroki, Shingo Matsukawa and Hidekazu Yasunaga 1. Introduction 70 2. Shielding of particular nuclear species 70 References 130 Theoretical aspects of spin–spin couplings 151 Hiroyuki Fukui 151 1. Introduction 151 2. Relativistic calculation of spin–spin couplings 151 3. Triplet instability 154 4. Vibrational average of indirect nuclear spin–spin coupling 156 constants 5. Improvement of basis sets 158 15 15 6. N– N coupling constants and the pentazole anion 159 29 7. Spin–spin couplings including Si nucleus 160 8. Complete basis set limit calculation 160 19 9. Spin–spin couplings including F nucleus 161 10. Spin–spin couplings including Ag, Se, and Sn nuclei 162 11. Hydrogen bonding 163 12. Conformational studies 164 13. Spin–spin couplings including B, N, P, Li, and Al nuclei 166 14. C–C, C–H, and H–H spin-spin couplings 168 15. The anomalous deuterium isotope effect in methane 170 References 171 Applications of spin-spin couplings 179 Krystyna Kamien´ska-Trela and Jacek Wo´jcik 1. Introduction 179 2. New methods 180 3. One-bond couplings to hydrogen 182 4. One-bond couplings not involving hydrogen 184 5. Two-bond couplings to hydrogen 190 6. Two-bond couplings not involving hydrogen 193 7. Three-bond hydrogen-hydrogen couplings 195 8. Three-bond couplings to hydrogen 200 9. Three-bond couplings not involving hydrogen 203 10. Couplings over more than three bonds and through space 205 11. Couplings through hydrogen bonds 207 12. Residual dipolar couplings 209 References 213 viii | Nucl. Magn. Reson., 2010, 39, vii–xi Solid state NMR spectroscopy 227 A. E. Aliev and R. V. Law 1. Introduction 227 2. Reviews 227 3. Experimental developments 230 4. NMR parameters: experimental and theoretical studies 239 5. Applications 242 References 260 NMR of proteins and nucleic acids 268 P. J. Simpson 1. Introduction 268 2. New methodologies 268 3. High resolution studies of biomolecules 276 4. Large and/or challenging systems 280 References 283 NMR of carbohydrates, lipids and membranes 290 Elizabeth F. Hounsell 1. Introduction 290 2. Membranes 291 3. In vivo and ex vivo studies 294 4. Structural studies in amyloid, prions and AGEs 295 5. Studies on membrane-virus interactions 297 6. Structure/function and conformation in glycobiology 298 7. Proteoglycans 299 8. Glycoconjugate (bio)synthesis 301 9. Natural products 302 10. Materials science 308 References 310 Synthetic macromolecules 322 Hiromichi Kurosu and Takeshi Yamanobe 1. Introduction 322 2. Primary structure 322 3. Liquid crystalline polymers 322 4. Imaging and diffusion 332 Nucl. Magn. Reson., 2010, 39, vii–xi | ix
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