“Volumes in this series are extremely well referenced and incorporate a tremendous amount of information on NMR …”– “Carbohydrate Polymers, 39 (1999), pp 291-292”

Nuclear Magnetic Resonance Volume 33

A Review of the Literature Published Between June 2002 and May 2003

By G.A. Webb

The Royal Society of Chemistry

Copyright © 2004 The Royal Society of Chemistry
All rights reserved.
ISBN: 978-0-85404-347-7

Contents

Chapter 1 NMR Books and Reviews By W. Schilf, 1,
Chapter 2 Theoretical and Physical Aspects of Nuclear Shielding By C.J. Jameson and A.C. de Dios, 47,
Chapter 3 Applications of Nuclear Shielding By S. Kuroki, N. Asakawa and H. Yasunaga, 76,
Chapter 4 Theoretical Aspects of Spin–Spin Couplings By H. Fukui, 118,
Chapter 5 Applications of Spin–Spin Couplings By K. Kamienska-Trela and J. Wójcik, 146,
Chapter 6 Nuclear Spin Relaxation in Liquids and Gases By R. Ludwig, 192,
Chapter 7 Solid-state NMR Spectroscopy A.E. Aliev and R.V. Law, 233,
Chapter 8 Multiple Pulse NMR By I. Barsukov, 306,
Chapter 9 NMR of Proteins and Nucleic Acids By S.J. Matthews, 326,
Chapter 10 NMR of Carbohydrates, Lipids and Membranes By E.F. Hounsell, 357,
Chapter 11 Synthetic Macromolecules By H. Kurosu and T. Yamanobe, 386,
Chapter 12 NMR in Living Systems By M.J.W. Prior, 439,
Chapter 13 Nuclear Magnetic Resonance Imaging By T. Watanabe, 465,
Chapter 14 Oriented Molecules By K.V. Ramanathan, G.A. Nagana Gowda and C.L. Khetrapal, 497,
Chapter 15 NMR of Liquid Crystals and Micellar Solutions By M. Monduzzi, 531,

CHAPTER 1

NMR Books and Reviews

B YW. SCHILF

1 Books

R 1 R.A. Nyquist, ‘Interpreting Infrared, Raman, and Nuclear Magnetic Resonance Spectra‘

Vol. 1, ‘Variables in Data Interpretation of Infrared and Raman Spectra‘

Vol. 2, ‘Factors Affecting Molecular Vibrations and Chemical Shifts of Infrared, Raman, and Nuclear Magnetic Resonance Spectra‘, Academic, Orlando, Fla. 2001

R 2 I.R. Young, ‘Methods in Biomedical Magnetic Resonance Imaging and Spectroscopy, Volume 1, John Wiley & Sons, Chichester, UK, 2000

R 3 I.R. Young, ‘Methods in Biomedical Magnetic Resonance Imaging and Spectroscopy, Volume Two’, John Wiley & Sons, Chichester, UK, 2000

2 Regular Reviews Series

Accounts of Chemical Research, Vol. 35, 2002

R 4 J.B. Lambert and G.O. Poinar Jr., ‘Amber: The Organic Gemstone’ p. 528

Vol. 36, 2003

R 5 S.M. Weinreb, ‘Lepadiformine: A Case Study of the Value of Total Synthesis in Natural Product Structure Elucidation’, p. 59

R 6 Y. Kyogoku, Y. Fujiyoshi, I. Shimada, H. Nakamura, T. Tsukihara, H. Akutsu, T. Odahara, T. Okada and N. Nomura, ‘Structural Genomics of Membrane Proteins’, p. 199

R 7 D. Staunton, J. Owen and I.D. Campbell, ‘NMR and Structural Genomics’, p. 207

R 8 D.L. Bryce and R.E. Wasylishen, ‘Microwave Spectroscopy and Nuclear Magnetic Resonance Spectroscopy – What Is the Connection?’, p. 327

Annual Reports on NMR Spectroscopy, ed. G.A. Webb, Academic Press Ltd., London, UK Vol. 47, 2002

R 9 B. Wrackmeyer,’Application of Pb NMR Parameters’, p. 1

R 10 H. Saito, S. Tuzi, M.Tanio and A. Naito, ‘Dynamic Aspects of Membrane Proteins and Membrane-Associated Peptides as Revealed by C NMR: Lessons from Bacteriorhodopsin as an Intact Protein’, p. 39

R 11 E. Alberti, P.S. Belton and A.M. Gil, ‘Applications of NMR to Food Science’, p. 109

R 12 K.K. Laali and T. Okazaki, ‘NMR of Persistent Carbocations from Polycyclic Aromatic Hydrocarbons (PAHs)’, p. 149

Vol. 48, 2002

R 13 K. Schmidt-Rohr and H.W. Spiess, ‘Dynamics of Polymers from Oneand Two-Dimensional Solid-State NMR Spectroscopy’, p. 1

R 14 M.A. Keniry and J.A. Carver, ‘NMR Spectroscopy of Large Proteins’, p. 31

R 15 C.L. Lean, R.L. Somarjai, I.C.P. Smith, P. Russell and C.E. Mountford, ‘Accurate Diagnosis and Prognosis of Human Cancers by Proton MRS and a Three-Stage Classification Strategy’, p. 72

R 16 A.T. Watson, J.T. Hollenshead, J. Uh and C.T.P. Chang, ‘NMR Determination of Porous Media Property Distributions’, p. 113

R 17 Y.R. Du, S. Zhao and L.F. Shen, ‘Nuclear Magnetic Resonance Studies of Micelles’, p. 145

Annual Reports on the Progress of Chemistry, Section B: Organic Chemistry, Royal Society of Chemistry Vol. 98, 2002

R 18 C. Halkides and W.R. Thomas, ‘NMR Spectroscopic Methods’, p. 639

Annual Reports on the Progress of Chemistry, Section C: Physical Chemistry, Royal Society of Chemistry Vol. 98, 2002

R 19 H. Weingaertner and M. Holz, ‘NMR Studies of Self-Diffusion in Liquids’, p. 121

Annual Review of Biomedical Engineering, Annual Reviews Inc., Vol. 4, 2002

R 20 R.M. Murphy, ‘Peptide Aggregation in Neurodegenerative Disease’, p. 155

Annual Review of Biophysics and Biomolecular Structure, Annual Reviews Inc., Vol. 31, 2002

R 21 R.J. Cushley and M. Okon, ‘NMR Studies of Lipoprotein Structure’, p. 177

R 22 I. Luque, S.A. Leavitt and E. Freire, ‘The Linkage between Protein Folding and Functional Cooperativity: Two Sides of the Same Coin?’, p. 235

R 23 J. Frank, ‘Single-Particle Imaging of Macromolecules by Cryo-Electron Microscopy’, p. 303

R 24 M. Ubbink, J.A.R. Worrall, G.W. Canters, E.J.J. Groenen and M. Huber, ‘Paramagnetic Resonance of Biological Metal Centers’, p. 393

Annual Review ofPhysical Chemistry Vol. 53, 2002

R 25 I. Tinoco Jr., ‘Physical Chemistry of Nucleic Acids’ p. 1

R 26 E. Oldfield, ‘Chemical Shifts in Amino Acids, Peptides, and Proteins: From Quantum Chemistry to Drug Design’, p. 349

Chemical Reviews, Washington, DC, United States, Vol. 102, 2002

R 27 H.C. Aspinall, ‘Chiral Lanthanide Complexes: Coordination Chemistry and Applications’, p. 1807

R 28 D. Parker, R.S. Dickins, H. Puschmann, C. Crossland and J.A.K. Howard, ‘Being Excited by Lanthanide Coordination Complexes: Aqua Species, Chirality, Excited-State Chemistry, and Exchange Dynamics’, p. 1977

Coordination Chemistry Reviews, Vol. 228, 2002

R 29 G. Simonneaux and P. Le Maux, ‘Optically Active Ruthenium Porphyrins: Chiral Recognition and Asymmetric Catalysis’, p. 43

R 30 A. Bodor, I. Banyai and I. Toth, ‘Slow Dynamics of Aluminium-Citrate Complexes Studied by 1H- and 13C-NMR Spectroscopy’, p. 163

R 31 A. Bodor, I. Banyai and I. Toth, ‘1H- and 13C-NMR as Tools to Study Aluminium Coordination Chemistry-Aqueous Al(III)-Citrate Complexes’, p. 175

R 32 K.M. Elkins and D.J. Nelson, ‘Spectroscopic Approaches to the Study of the Interaction of Aluminum with Humic Substances’, p. 205

R 33 W.R. Harris and L. Messori, ‘A Comparative Study of Aluminum (III), Gallium (III), Indium (III), and Thallium (III) Binding to Human Serum Transferrin’, p. 237

R 34 T.P. Flaten, ‘Aluminium in Tea. Concentrations, Speciation and Bioavailability’, p. 385

Vol. 232, 2002

R 35 I. Turel, ‘The Interactions of Metal Ions with Quinolone Antibacterial Agents’, p. 27

Vol. 233-234, 2002

R 36 S. Brydges, L.E. Harrington and M.J. McGlinchey, ‘Sterically Hindered Organometallics: Multi-n-Rotor (n = 5,6 and 7) Molecular Propellers and the Search for Correlated Rotations’, p. 75

R 37 J. Chan, Z. Huang, M.E. Merrifield, M.T. Salgado and M.J. Stillman, ‘Studies of Metal Binding Reactions in Metallothioneins by Spectroscopic, Molecular Biology, and Molecular Modeling Techniques’, p. 319 Vol. 235, 2002

R 38 V. Chandrasekhar, S. Nagendran and V. Baskar, ‘Organotin Assemblies Containing Sn-O Bonds’, p. 1

Vol. 236, 2003

R 39 E. Tfouni, M. Krieger, B.R. McGarvey and D.W. Franco, ‘Structure, Chemical and Photochemical Reactivity and Biological Activity of Some

Ruthenium Amine Nitrosyl Complexes’, p. 57

Current Drug Targets: Infectious Disorders, Bentham Science Publishers Ltd. Vol. 2, 2002

R 40 G.L. Gilliland, A. Teplyakov, G. Obmolova, M. Tordova, N. Thanki, J. Ladner, O. Herzberg, K. Lim, H. Zhang, K. Huang, Z. Li, A. Tempczyk, W. Krajewski, L. Parsons, D.C. Yeh, J. Orban, A.J. Howard, E. Eisenstein, J.F. Parsons, N. Bonander, K.E. Fisher, J. Toedt, P. Reddy, C.V. Rao, E. Melamud and J. Moult, ‘Assisting Functional Assignment for Hypothetical Haemophilus Influenzea Gene Products through Structural Genomics’, p. 339

Current HIV Research, Bentham Science Publishers Ltd., Vol. 1, 2003

R 41 Y. Morikawa, ‘HIV Capsid Assembly’, p. 1

Current Medicinal Chemistry, Bentham Science Publishers, Vol. 9, 2002

R 42 N. Pattabiraman, ‘Analysis of Ligand-Macromolecule Contacts: Computational Methods’, p. 609

R 43 K. Gharehbaghi, W. Grunberger and H.N. Jayaram, ‘Studies on the Mechanism of Action of Benzamide Riboside: A Novel Inhibitor of IMP Dehydrogenase’, p. 743

Current Medicinal Chemistry: Anti-Cancer Agents, Bentham Science Publishers, Vol. 2, 2002

R 44 J. Jimenez-Barbero, F. Amat-Guerri and J.P. Snyder, ‘The Solid State, Solution and Tubulin-Bound Conformations of Agents that Promote Microtubule Stabilization’, p. 91

Current Opinion in Chemical Biology, Vol. 6, 2002

R 45 S.J. Opella, T.M. DeSilva and G. Veglia, ‘Structural Biology of Metal-Binding Sequences’, p. 217

R 46 A.M. Wolters, D.A. Jayawickrama and J.V. Sweedler, ‘Microscale NMR’, p. 711 Vol. 7, 2003

R 47 S. Yokoyama, ‘Protein Expression Systems for Structural Genomics and Proteomics’, p. 39

Current Opinion in Colloid & Interface Science, Elsevier Science Ltd., Vol. 7, 2002

R 48 P. Griffiths and P. Stilbs, ‘NMR Self-Diffusion Studies of Polymeric Surfactants’, p. 249

Current Opinion in Drug Discovery & Development, PharmaPress Ltd., Vol. 5, 2002

R 49 S.G. Buchanan, ‘Structural Genomics: Bridging Functional Genomics and Structure-Based Drug Design’, p. 367

Current Opinion in Structural Biology, Vol. 12, 2002

R 50 D. MacDonald and P. Lu, ‘Residual Dipolar Couplings in Nucleic Acid Structure Determination’, p. 337

R 51 S.K. Burley and J.B. Bonanno, ‘Structural Genomics of Proteins from Conserved Biochemical Pathways and Processes’, p. 383

R 52 M. Akke, ‘NMR Methods for Characterizing Microsecond to Millisecond Dynamics in Recognition and Catalysis’, p. 642

R 53 L.K. Thomson, ‘Solid-State NMR Studies of the Structure and Mechanisms of Proteins’, p. 661

Current Organic Chemistry, Bentham Science Publishers Vol. 6, 2002

R 54 P. Li, P.P. Roller and J. Xu, ‘Current Synthetic Approaches to Peptide and Peptidomimetic Cyclization’, p. 411

Current Pharmaceutical Design Vol. 8, 2002

R 55 S. Sardari and D. Sardari, ‘Applications of Artificial Neural Networks in AIDS Research and Therapy’, p. 659

R 56 S.G. Buchanan, J.M. Sauder and T. Harris, ‘The Promise of Structural Genomics in the Discovery of New Antimicrobial Agents’, p. 1173

Current Protein and Peptide Science. Vol. 3, 2002

R 57 D. Tolkatchev, A. Koutychenko and F. Ni, ‘Dissecting Functional Interactions in Coagulation Protein Complexes by Use of NMR Spectroscopy p. 275

R 58 L. Otvos and M. Cudic, ‘Post-Translational Modifications in Prion Proteins’, p. 643

Current Topics in Medicinal Chemistry (Hilversum, Netherlands), Bentham Science Publishers Vol. 2, 2002

R 59 E.S. DeJong, B. Luy and J.P. Marino, ‘RNA and RNA-Protein Complexes as Targets for Therapeutic Intervention’, p. 289

Methods in Molecular Biology, Humana Press Inc., Totowa, NJ, United States, Vol. 173, 2002

Calcium-Binding Protein Protocols, Vol. 2, Methods and Techniques, ed. H. J. Vogel

R 60 R.D. Brokx and H.J. Vogel, ‘Proteolytic Fragments of Calcium-Binding Proteins’, p. 183

R 61 T.E. Clarke and H.J. Vogel, ‘Cadmium-113 and Lead-207 NMR Spectroscopic Studies of Calcium-Binding Proteins’, p. 205

R 62 T. Drakenberg, ‘Calcium-43 NMR of Calcium-Binding Proteins’, p. 217

R 63 M.X. Li, D.C. Corson and B.D. Sykes, ‘Structure Determination by NMR: Isotope Labeling’, p. 255

R 64 T.K. Mal, S. Bagby and M. Ikura, ‘Protein Structure Calculation from NMR Data’, p. 267

R 65 J.M. Werner, I.D. Campbell and A.K. Downing, ‘Shape and Dynamics of a Calcium-Binding Protein Investigation by Nitrogen-15 NMR Relaxation’, p. 285

Vol. 186, 2002

Oxidative Stress Biomarkers and Antioxidant Protocols, ed. D. Armstrong

R 66 A. Afzal, M. Afzal, A. Jones and D. Armstrong, ‘Rapid Determination of Glutamate Using HPLC Technology’, p. 111

NATO Science Series, II: Mathematics, Physics and Chemistry Vol. 41, 2001

Magnetic Storage Systems Beyond 2000, ed. G.C. Hadjipanayis

R 67 H. Szymczak and R. Szymczak, ‘Magnetic Measurement Techniques’, p. 225

Vol. 56, 2002

Ring Opening Metathesis Polymerization and Related Chemistry

R 68 K.J. Ivin, ‘ROMP and Related Chemistry: Past, Present and Future’, p. 1

R 69 A.M. Kenwright, ‘High-Resolution NMR and ROMP’, p. 57 Vol. 61,2002

New Trends in Intercalation Compounds for Energy Storage

R 70 J. Conard, ‘Electronic Structure of Various Forms of Solid State Carbons. Graphite Intercalation Compounds’, p. 39

R 71 J. Conard and P. Lauginie, ‘Lithium NMR in Lithium-Carbon Solid State Compounds’, p. 77

R 72 C.W. Kwon, S.J. Hwang, A. Poquet, N. Treuil, G. Campet, J. Portier and J.H. Choy, ‘Nanocrystalline Materials for Lithium Batteries’, p. 439 Vol. 68, 2002

Strength from Weakness: Structural Consequences of Weak Interactions in Molecules, Supramolecules, and Crystals

R 73 P. Sozzani, A. Comotti, R. Simonutti, S. Bracco and A. Simonelli, ‘Strength from Motion in Crystals. The Example of Supramolecular Adducts’, p. 319

Vol. 81,2002

New Kind of Phase Transitions: Transformations in Disordered Substances

R 74 S.R. Dillon and R.C. Dougherty, ‘Equilibrium Structural Model for Liquid Water: Evidence of Weak Continuous Phase Transitions in Aqueous Uni-Univalent Electrolyte Solutions’, p. 223

Nature Reviews Drug Discovery Vol. 1, 2002

R 75 M. Pellecchia, D.S. Sem and K. Wuthrich, ‘NMR in Drug Discovery’, p. 211

Progress in Nuclear Magnetic Resonance Spectroscopy, ed. J.W. Emsley, J. Feeney and L.H. Sutcliffe, Elsevier Science B.V.

Vol. 40, 2002

R 76 P. Luginbuhl and K. Wuthrich, ‘Semi-Classical Nuclear Spin Relaxation Theory Revisited for Use with Biological Macromolecules’, p. 199

R 77 I. Bertini, C. Luchinat and G. Parigi, ‘Magnetic Susceptibility in Paramagnetic NMR’, p. 249

R 78 E.T. Ahrens, P.T. Narasimhan, T. Nakada and R.E. Jacobs, ‘Small Animal Neuroimaging Using Magnetic Resonance Microscopy’, p. 275

R 79 C. Mayer, ‘Nuclear Magnetic Resonance on Dispersed Nanoparticles’, p. 307

Vol. 41, 2002

R 80 M. Baldus, ‘Correlation Experiments for Assignment and Structure Elucidation of Immobilized Polypeptides under Magic Angle Spinning’, p. 1

R 81 R. Blinc and T. Apih, ‘NMR in Multidimensional^ Modulated Incommensurate and CDW Systems’, p. 49

R 82 Z. Luz, P. Tekely and D. Reichert, ‘Slow Exchange Involving Equivalent Sites in Solids by One-Dimensional MAS NMR Techniques’, p. 83

R 83 R.Y. Dong, ‘Relaxation and the Dynamics of Molecules in the Liquid Crystalline Phases’, p. 115

R 84 C. Dybowski and G. Neue, ‘Solid State 207Pb NMR Spectroscopy’, p. 153

R 85 B.M. Fung, ‘C NMR Studies of Liquid Crystals’, p. 171

R 86 B.J. Stockman and C. Dalvit, ‘NMR Screening Techniques in Drug Discovery and Drug Design’, p. 187

R 87 J. Vaara, J. Jokisaari, R.E. Wasylishen and D.L. Bryce, ‘Spin-Spin Coupling Tensors as Determined by Experiment and Computational Chemistry’, p. 233

R 88 D. Frueh, ‘Internal Motions in Proteins and Interference Effects in Nuclear Magnetic Resonance’, p. 305

Progress in Polymer Science Vol. 27, 2002

R 89 J. Lu, P.A. Mirau and A.E. Tonelli, ‘Chain Conformations and Dynamics of Crystalline Polymers as Observed in Their Inclusion Compounds by Solid-State NMR’, p. 357

Recent Research Developments in Agricultural & Food Chemistry, Research Signpost, Vol. 5, 2001

R 90 Q. Teng, ‘NMR Structural Elucidation of Diterpene Derived Alkaloids’, p. 43

Recent Research Developments in Inorganic Chemistry, Transworld Research Network, Vol. 2, 2000

R 91 A. Roodt and G.J.J. Steyr, ‘Iodomethane Oxidative Addition to Monocarbonylphosphine Complexes of Rhodium(I): Activation by N,S Bidentate Ligands’, p. 1

Recent Research Developments in Inorganic & Organometallic Chemistry, Research Signpost, Vol. 1, 2001

R 92 L. Ciavatta, Equilibrium Studies on the Complexation of Cations with Orthophosphate Ions’, p. 83

Recent Research Developments in Lipids, Transworld Research Network, Vol. 5(Pt. 1), 2001

R 93 J. Schiller, J. Arnhold, S. Benard, M. Mueller, M. Petkovic, O. Zschoernig and K. Arnold, ‘MALDI-TOF Mass Spectrometry and 31P NMR Spectroscopy in Lipid Research’, p. 179

Recent Research Developments in Non-Crystalline Solids, Transworld Research Network, Vol. 1, 2001

R 94 J.G. Reynolds, ‘Hydrophobic Silica Aerogels’, p. 133

Recent Research Developments in Organic & Bioorganic Chemistry, Transworld Research Network Vol. 4, 2001

R 95 M. Oda, T. Kajioka, Y. Kawamori, T. Uchiyama, S. Kuroda and N. Morita, ‘Spiro[1H-azulenium-1,1′-cyclopropane] Ions; Their Synthesis, Characterization and Some Reactions’, p. 133

R 96 C. Marchiro, S. Davalli, S. Provera and G.H. Raza, ‘NMR Techniques in Drug Discovery’, p. 151

(Continues…)Excerpted from Nuclear Magnetic Resonance Volume 33 by G.A. Webb. Copyright © 2004 The Royal Society of Chemistry. Excerpted by permission of The Royal Society of Chemistry.
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