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Modern Magnetic Resonance
Graham A. WebbEditor
Modern MagneticResonance
Second Edition
With 742 Figures and 84 Tables
EditorGraham A. WebbRoyal Society of ChemistryLondon, UK
ISBN 978-3-319-28387-6 ISBN 978-3-319-28388-3 (eBook)ISBN 978-3-319-28389-0 (print and electronic bundle)https://doi.org/10.1007/978-3-319-28388-3
Library of Congress Control Number: 2018935961
1st edition: # Springer Science+Business Media B.V. 2006# Springer International Publishing AG, part of Springer Nature 2018This work is subject to copyright. All rights are reserved by the Publisher, whether the whole or part of thematerial is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation,broadcasting, reproduction on microfilms or in any other physical way, and transmission or informationstorage and retrieval, electronic adaptation, computer software, or by similar or dissimilar methodologynow known or hereafter developed.The use of general descriptive names, registered names, trademarks, service marks, etc. in this publicationdoes not imply, even in the absence of a specific statement, that such names are exempt from the relevantprotective laws and regulations and therefore free for general use.The publisher, the authors and the editors are safe to assume that the advice and information in this bookare believed to be true and accurate at the date of publication. Neither the publisher nor the authors or theeditors give a warranty, express or implied, with respect to the material contained herein or for any errorsor omissions that may have been made. The publisher remains neutral with regard to jurisdictional claimsin published maps and institutional affiliations.
Printed on acid-free paper
This Springer imprint is published by the registered company Springer International Publishing AG part ofSpringer Nature.The registered company address is: Gewerbestrasse 11, 6330 Cham, Switzerland
Preface to the Second Edition
It is now 12 years since the first edition of the handbook of Modern MagneticResonance (MMRl) appeared. During this time there have been significant advancesboth in the techniques employed in magnetic resonance studies and in their areas ofapplication. The purpose of MMR2 is to chart this progress in both application andavailable experimental methods.
Developments in nuclear magnetic resonance spectroscopy (NMR), magneticresonance imaging (MRI), and electron spin resonance (ESR) are included inMMR2. As in MMRl, progress in the fields of Biological Sciences, Chemistry,Food Science, Marine Science, Materials Science, and Pharmaceutical Sciencesare covered in MMR2. In addition, a section is included on magnetic resonanceapplications in Archaeology.
It is a pleasure for me to express my gratitude to the Section Editors, and theircontributors, for their determination and dedication to the production of MMR2.
Royal Society of ChemistryLondon, UK
Graham A. WebbApril 15th 2018
v
Preface to the First Edition
It is a great pleasure for me to Introduce the handbook of Modern MagneticResonance, MMR. The various techniques which comprise MMR derive essentiallyfrom three sources, all of which were produced by physicists. Today they are widelyused by scientists working in many diverse areas such as chemistry, biology,materials, food, medicine and healthcare, pharmacy and marine studies.
The first source of MMR studies is nuclear magnetic resonance, NMR. Thisprovides details on the relative positions of nuclei, i.e. atoms, in a molecule.Consequently NMR provides structural information on samples which may be inthe solid, liquid or gaseous state. Nuclear relaxation data yield dynamic informationon the sample and the topology of the dynamic processes if the sample is undergoinga molecular change. Thus high and low resolution NMR studies provide informationon all interesting aspects of molecular science. The protean nature of NMR isreflected in its many applications in chemistry, biology and physics which exploreand characterize chemical reactions, molecular conformations, biochemical path-ways and solid state materials, to name a few examples.
Magnetic resonance imaging, MRI, is the second source of MMR data. MRIprovides a three-dimensional image of a substance, and is consequently widelyemployed to assess materials both in vitro and in vivo. The importance of MRIstudies in many areas of science and medicine is shown by the recent award of theNobel Prize to Lauterbur and Mansfield.
The third source of MMR results is due to electron spin resonance, ESR. This is atechnique for detecting unpaired electrons and their interactions with nuclear spins ina given sample. Thus ESR data are often used to complement the results of NMRexperiments.
Taken together NMR, MRI and ESR comprise the field of MMR, recent yearshave witnessed the fecundity of these techniques in many scientific areas. Thepresent three volumes cover applications in most of these areas. Part 1 deals withChemical Applications, Biological and Marine Sciences. Medical and Pharmaceuti-cal Sciences are covered in Part 2. Part 3 provides examples of recent work in theMaterials Science and Food Science.
I wish to express my gratitude to all of the Section Editors and their manycontributors for their hard work and dedication in the creation of MMR. My thanks
vii
also go to Emma Roberts and the production staff at Springer, London, for theirassistance in the realization of these volumes.
Royal Society of ChemistryLondon, UK
Graham A. WebbFebruary 2005
viii Preface to the First Edition
Editor Biography
Graham A. Webb
QualificationsB.Sc (Hons.), Ph.D., D.Sc. F.R.S.C., F.Inst.P, F.R.S.A.
PublicationsApproximately 400 papers in various scientific journals, most of them on NMRrelated topics.
Editorial ActivitiesEditor of more than 150 volumes of scientific research, mostly related to NMRwork.
Contact AddressPost Room, Royal Society of Chemistry Burlington HousePiccadillyLondon, WIJ OBA, UK
Current PositionRetired Professor of Chemistry from the University of Surrey.
ix
Section Editors
David J. Craik
Institute for Molecular BioscienceThe University of QueenslandBrisbane, QLD, Australia
Gary Martin
Structure Elucidation Group, Process and Analytical Research and DevelopmentMerck & Co., Inc.Rahway, NJ, USA
xi
Hazime Saito
Department of Life Science, Himeji Institute of TechnologyUniversity of HyogoHyogo, Japan
Inger B. Standal
SINTEF OceanTrondheim, Norway
xii Section Editors
John van Duynhoven
Unilever R&DVlaardingen, The NetherlandsLaboratory of BiophysicsWageningen University, The Netherlands
Marit Aursand
Department of Biotechnology and Food ScienceSINTEF Ocean Processing Technology GroupTrondheim, Norway
Section Editors xiii
Michel Bardet
INAC/MEM/LRMCEA-GrenobleGrenoble, Cedex 9, France
Po-Wah So
Department of Neuroimaging, Institute of Psychiatry, Psychology and NeuroscienceKing’s CollegeLondon, UK
xiv Section Editors
Marcel Utz
School of ChemistryUniversity of SouthamptonHighfield Campus, Southampton, UK
Yining Huang
Department of ChemistryThe University of Western OntarioLondon, ON, Canada
Section Editors xv
Contents
Volume 1
Part I Biological Sciences . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1
1 Optimization of MRI Contrast for Preclinical Studies at HighMagnetic Field . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3Yu-Ting Kuo and Amy H. Herlihy
2 The Application of In Vivo MRI and MRS in Phenomic Studiesof Murine Models of Disease . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19Po-Wah So, Azhaar Ashraf, Alice Marie Sybille Durieux,William Richard Crum, and Jimmy David Bell
3 Experimental Models of Brain Disease: MRI Contrast Mechanismsfor the Assessment of Pathophysiological Status . . . . . . . . . . . . . . 63David L. Thomas, Karin Shmueli, Marilena Rega, FranciscoTorrealdea, Louise van der Weerd, Mark F. Lythgoe, andJohn S. Thornton
4 Experimental Models of Brain Disease: MRI Studies . . . . . . . . . . 93Ian F. Harrison, Jack A. Wells, and Mark F. Lythgoe
5 Application of Magnetic Resonance Imaging (MRI) andSpectroscopy (MRS) in Preclinical Cancer Models . . . . . . . . . . . . 121Gigin Lin and Yuen-Li Chung
6 Experimental Cardiovascular MR in Small Animals . . . . . . . . . . . 141Jürgen E. Schneider and Stefan Neubauer
7 Reporter Genes for Magnetic Resonance . . . . . . . . . . . . . . . . . . . . 177P. Stephen Patrick and Tammy L. Kalber
8 Role of Magnetic Resonance in Drug Development . . . . . . . . . . . . 199J. D. Kaggie, M. V. Haase, S. P. Campbell, C. M. Wright,M. J. Graves, and K. K. Changani
xvii
Part II Archaeology . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 219
9 Liquid-State NMR in Cultural Heritage and ArchaeologicalSciences . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 221Apostolos Spyros
10 High-Resolution Solid-State NMR Spectroscopy of CulturalOrganic Material . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 233Joseph B. Lambert, Yuyang Wu, and Jorge A. Santiago-Blay
11 High-Resolution Solid-State NMR of Cultural InorganicMaterials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 255Donatella Capitani, Piero Ciccioli, Valeria Di Tullio, andNoemi Proietti
12 Nondestructive Testing of Objects from Cultural Heritagewith NMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 293Maria Baias and Bernhard Blümich
13 Application of EPR in Studies of Archaeological Samples . . . . . . . 305Laurent Le Pape
Part III Chemistry . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 331
14 Polymorphism of Alzheimer’s Aβ Amyloid Fibrils andOligomers . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 333Oleg N. Antzutkin
15 Structure Analysis of Bombyx mori Silk Fibroin Using NMR . . . . 349Shunsuke Kametani and Tetsuo Asakura
16 Solid-State NMR Investigations of the Hydration and MolecularDynamics of Collagen in Biological Tissue . . . . . . . . . . . . . . . . . . . 363Daniel Huster
17 Conformational Characterization of Intrinsically DisorderedProteins and Its Biological Significance . . . . . . . . . . . . . . . . . . . . . 381Elise Delaforge, Tiago N. Cordeiro, Pau Bernadó, and Nathalie Sibille
18 Automated Structure Determination from NMR Spectra . . . . . . . 401Sina Kazemi, Julia Maren Würz, Elena Schmidt, Anurag Bagaria, andPeter Güntert
19 Residual Dipolar Coupling for Conformational and DynamicStudies . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 419Madeleine Strickland and Nico Tjandra
20 Protein Dynamics Revealed by CPMG Dispersion . . . . . . . . . . . . . 435Rieko Ishima and Stefan Bagby
xviii Contents
21 Methyl TROSY Spectroscopy to Study Large BiomolecularComplexes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 453Milos A. Cvetkovic and Remco Sprangers
22 Stable-Isotope-Aided NMR Spectroscopy . . . . . . . . . . . . . . . . . . . . 469Yohei Miyanoiri, Mitsuhiro Takeda, and Masatsune Kainosho
23 Solid-State NMR on Complex Biomolecules: Methods andApplications . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 487Deni Mance, Markus Weingarth, and Marc Baldus
24 Anisotropic and Isotropic Chemical Shifts Perturbations fromSolid State NMR Spectroscopy for Structural and FunctionalBiology . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 505Eduard A. Chekmenev, Joana Paulino, Riqiang Fu, andTimothy A. Cross
25 High-Resolution Proton NMR Spectroscopy of Polymers andBiological Solids . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 521Rongchun Zhang, Kamal H. Mroue, Pingchuan Sun, andAyyalusamy Ramamoorthy
26 In Situ Photo Irradiation Solid-State NMR SpectroscopyApplied to Retinal-Binding Membrane Proteins . . . . . . . . . . . . . . 537Akira Naito, Yoshiteru Makino, and Izuru Kawamura
27 Advances in Solid-State NMR Studies of MicrobialRhodopsins . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 559Vladimir Ladizhansky
28 Solid-State Deuterium NMR Spectroscopy of Membranes . . . . . . 581Trivikram R. Molugu, Xiaolin Xu, Avigdor Leftin, Silvia Lope-Piedrafita, Gary V. Martinez, Horia I. Petrache, and Michael F. Brown
29 Optimal Design of Offset-Specific Radio Frequency Pulses forSolution and Solid-State NMR Using a Genetic Algorithm . . . . . . 605Manu Veliparambil Subrahmanian, Aurelio James Dregni, andGianluigi Veglia
30 Solid-State NMR Studies of the Interactions and Structure ofAntimicrobial Peptides in Model Membranes . . . . . . . . . . . . . . . . 617Matthieu Fillion, Marise Ouellet, and Michéle Auger
31 Solid-State NMR Studies of Small Molecule Adsorption in Metal-Organic Frameworks (MOFs) . . . . . . . . . . . . . . . . . . . . . . . . . . . . 635Marko Bertmer
32 Solid-State 19F-NMR Analysis of Peptides in OrientedBiomembranes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 651Erik Strandberg and Anne S. Ulrich
Contents xix
33 Structure and Dynamics of Membrane-Bound Proteins . . . . . . . . 669Katsuyuki Nishimura, Michikazu Tanio, and Satoru Tuzi
34 Solid-State NMR Studies of Supported Transition Metal Catalystsand Nanoparticles . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 683Torsten Gutmann and Gerd Buntkowsky
35 NMR Screening of mSin3B Binding Compounds for theInteraction Inhibition with a Neural Repressor, NRSF/REST . . . . 705Jun-ichi Kurita, Yuuka Hirao, Naoki Miyata, and YoshifumiNishimura
36 Analyses of RNA Structure and Dynamics . . . . . . . . . . . . . . . . . . . 727Gota Kawai
37 NMR Characterization of the Dynamic Conformations ofOligosaccharides . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 737Koichi Kato, Hirokazu Yagi, and Takumi Yamaguchi
Volume 2
38 Multiple-Quantum NMR Studies of Anisotropic PolymerChain Dynamics . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 755Kay Saalwächter
39 Chain Trajectory of Semicrystalline Polymers as Revealed by13C-13C Double Quantum NMR . . . . . . . . . . . . . . . . . . . . . . . . . . . 783Wei Chen, You-lee Hong, Shichen Yuan, and Toshikazu Miyoshi
40 Polymer Blends and Composites . . . . . . . . . . . . . . . . . . . . . . . . . . . 793Atsushi Asano
41 Molecular Diffusion in Polysaccharide Gels . . . . . . . . . . . . . . . . . . 809Qiuhua Zhao, Yun Zhou, Faith B. A. Descallar, and ShingoMatsukawa
42 NMR Imaging for the Study of Drug Tablets for ControlledRelease . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 827Héloïse Thérien-Aubin and Xiao-Xia Zhu
43 Solid-State 17O NMR Spectroscopy of Organic and BiologicalMolecules . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 841Gang Wu
44 High-Field Solid-State NMR with Dynamic NuclearPolarization . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 861Daniel Lee, Sabine Hediger, and Gaël De Paëpe
xx Contents
45 Proton-Detection in Biological MAS Solid-State NMRSpectroscopy . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 879Bernd Reif
46 NMR Diffusometry . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 911William S. Price
47 Mobile and Compact NMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 927Bernhard Blümich
48 Modeling NMR Chemical Shift Tensors . . . . . . . . . . . . . . . . . . . . . 959Sean T. Holmes and Robbie J. Iuliucci
49 Chemical Shift Perturbation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 995Mike P. Williamson
50 Long-Range Distance Constraints in Biomacromolecules by aCombined Approach of Site-Directed Spin Labeling and DoubleElectron–Electron Resonance (DEER) Spectroscopy . . . . . . . . . . . 1013Mykhailo Azarkh and Malte Drescher
51 Solid-State NMR Studies of Halogen Bonding . . . . . . . . . . . . . . . . 1031Patrick M. J. Szell and David L. Bryce
52 Solid-State NMR Characterization of Acidity of SolidCatalysts . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1049Anmin Zheng, Shenhui Li, and Feng Deng
53 Development and Application of In Situ High-Temperature,High-Pressure Magic Angle Spinning NMR . . . . . . . . . . . . . . . . . . 1073Nicholas R. Jaegers, Mary Y. Hu, David W. Hoyt, Yong Wang, andJian Zhi Hu
54 Recent Progress in Homonuclear Correlation Spectroscopy ofQuadrupolar Nuclei . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1093Mattias Edén
55 Solid-State NMR of Oxide-Based Materials . . . . . . . . . . . . . . . . . . 1125Olga B. Lapina, Aleksandr A. Shubin, and Victor V. Terskikh
56 Ultra-wideline Solid-State NMR: Developments and Applicationsof the WCPMG Experiment . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1161Luke A. O’Dell
57 High-Frequency Dynamic Nuclear Polarization NMR for Solids:Part 1 – An Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1183Michelle Ha and Vladimir K. Michaelis
58 High-Frequency Dynamic Nuclear Polarization NMR for Solids:Part 2 – Development and Applications . . . . . . . . . . . . . . . . . . . . . 1207Michelle Ha and Vladimir K. Michaelis
Contents xxi
59 Solid-State 2H NMR Studies of Water-Mediated Lipid MembraneDeformation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1225Trivikram R. Molugu, Xiaolin Xu, Soohyun Lee,K. J. Mallikarjunaiah, and Michael F. Brown
60 Solid-State Deuterium NMR Spectroscopy of Rhodopsin . . . . . . . 1251Suchithranga M. D. C. Perera, Xiaolin Xu, Trivikram R. Molugu,Andrey V. Struts, and Michael F. Brown
61 Pure-Shift NMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1271Walter Becker, Nina Gubensäk, and Klaus Zangger
Part IV Food Science . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1289
62 Quantification of Food Polysaccharides by means of NMR . . . . . . 1291Adriana Carvalho de Souza
63 Metabolite Identification in Complex Mixtures Using NuclearMagnetic Resonance Spectroscopy . . . . . . . . . . . . . . . . . . . . . . . . . 1309Justin J. J. van der Hooft and Naomi Rankin
64 Phosphorus Derivatization as a Tool to Enhance Specificity ofQuantitative NMR Analysis of Foods . . . . . . . . . . . . . . . . . . . . . . . 1343Apostolos Spyros
65 Isotope Ratio Monitoring by NMR: Part 1 – Recent Advances . . . 1353Gérald S. Remaud, Patrick Giraudeau, Philippe Lesot, andSerge Akoka
66 Isotope Ratio Monitoring by NMR: Part 2 – New Applications inthe Field of Defining Biosynthesis . . . . . . . . . . . . . . . . . . . . . . . . . . 1379Richard J. Robins, Gérald S. Remaud, Isabelle Billault, andPhilippe Lesot
67 SNIF-NMR Applications in an Economic Context: FraudDetection in Food Products . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1405Eric Jamin and Freddy Thomas
68 Diffusometric Assessment of Food Double Emulsions . . . . . . . . . . 1417Gisela Guthausen
69 TD NMR Relaxation Studies of Cereal Products . . . . . . . . . . . . . . 1431Geertrui M. Bosmans and Jan A. Delcour
70 1H NMR Relaxometry in Meat Science . . . . . . . . . . . . . . . . . . . . . 1449Hanne Christine Bertram
71 Food Analysis Using Fast Steady-State Free Precession TD-NMRRelaxometric Methods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1463Luiz Alberto Colnago, Tiago Bueno Moraes, and Tatiana Monaretto
xxii Contents
72 2D TD-NMR Analysis of Complex Food Products . . . . . . . . . . . . . 1483Corinne Rondeau-Mouro
Volume 3
73 Intact Food Analysis by Means of HRMAS-NMRSpectroscopy . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1503P. Mazzei, A. Piccolo, and M. Valentini
74 In Situ Studies of Plant Seeds Using 13C or 1H MAS NMR and1H PFG NMR Approaches . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1519Marina Gromova, Armel Guillermo, Pierre-Alain Bayle, andMichel Bardet
75 NMR Relaxometry and Imaging of Dairy Products . . . . . . . . . . . . 1535François Mariette
76 NMR Imaging of Bakery Products . . . . . . . . . . . . . . . . . . . . . . . . . 1559G. Collewet and T. Lucas
77 Rheo-NMR: Applications to Food . . . . . . . . . . . . . . . . . . . . . . . . . 1589Daan W. de Kort, Tatiana Nikolaeva, and Joshua A. Dijksman
78 NMR Imaging of Meat . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1609Sylvie Clerjon and Jean-Marie Bonny
79 Functional MRI and Sensory Perception of Food . . . . . . . . . . . . . 1629Jean-Marie Bonny, C. Sinding, and T. Thomas-Danguin
80 Chemometric Analysis of NMR Spectra . . . . . . . . . . . . . . . . . . . . . 1649Parvaneh Ebrahimi, Nanna Viereck, Rasmus Bro, andSøren B. Engelsen
81 Quantitative Analysis of Time Domain NMR Relaxation Data . . . 1669Søren B. Engelsen and Frans W. J. van den Berg
82 NMR-Based Metabolomics: The Foodome and the Assessment ofDietary Exposure as a Key Step to Evaluate the Effect of Diet onHealth . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1687Francesco Capozzi
83 NMR-Based Metabolomics: Quality and Authenticity ofPlant-Based Foods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1709L. R. Cagliani, P. Scano, and R. Consonni
84 NMR-Based Metabolomics: Quality and Authenticity of Milk andMeat . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1729Hanne Christine Bertram
Contents xxiii
85 The Application of NMR in Compositional and QuantitativeAnalysis of Oils and Lipids . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1743Peter P. Lankhorst and An-Ni Chang
86 NMR Imaging of Air Spaces and Metabolites in Fruit andVegetables . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1765Maja Musse and Henk Van As
87 ESR Spectroscopy for the Study of Oxidative Processes in Foodand Beverages . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1781Mogens L. Andersen and Leif H. Skibsted
88 Large-Scale Screening of Food Products for Quality andAuthenticity . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1795Stephan Schwarzinger
89 TD-NMR in Quality Control: Standard Applications . . . . . . . . . . 1819Marcio Fernando Cobo, Eleonore J. Deublein, Agnes Haber, RanceKwamen, Manoj Nimbalkar, and Frank Decker
90 Determination of Fatty Acid Composition and Oxidation inFish Oils by High-Resolution Nuclear Magnetic ResonanceSpectroscopy . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1837Rosario Zamora and Francisco J. Hidalgo
Part V Marine Science . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1851
91 High-Resolution NMR as Tool to Study Enzyme-CatalyzedProduction of Fatty Acid Ethyl Esters from Marine Oils . . . . . . . . 1853Inger B. Standal, Ana K. Carvajal, Revilija Mozuraityte, Ivar Storrø,Trond Størseth, Elham Abbasi, and Marit Aursand
92 Monitoring of Quality Changes in Salmon and Salmon Rest RawMaterials by NMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1867Elena Shumilina, Rasa Slizyte, Revilia Mozuraityte, andAlexander Dikiy
93 Effects of Catching Method, Rigor Status at Processing, andPre-salting Methods on the Water Distribution and Characteristics ofHeavily Salted Atlantic Cod (Gadus morhua) Muscle: A Multi-parametric Magnetic Resonance Study . . . . . . . . . . . . . . . . . . . . . 1883María Gudjónsdóttir, Amidou Traoré, Ásbjörn Jónsson,Magnea Gudrún Karlsdóttir, and Sigurjón Arason
94 Estimation of Quality in Frozen Fish by Low Field NMR . . . . . . . 1901Mercedes Careche, Isabel Sánchez-Alonso, and Iciar Martinez
xxiv Contents
95 Omega-3 Fatty Acid Content of Intact Muscle of FarmedAtlantic Salmon (Salmo salar) Examined by 1H MAS NMRSpectroscopy . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1917Marit Aursand, Inger B. Standal, I. S. Gribbestad, and Iciar Martinez
96 HR MAS NMR Spectroscopy of Marine Microalgae . . . . . . . . . . . 1927Matilde Skogen Chauton and Trond Størseth
97 Heterogeneous Rotational and Translational Dynamics in Glassesand Other Disordered Materials Studied by NMR . . . . . . . . . . . . 1937Roland Böhmer, Michael Storek, and Michael Vogel
Part VI Materials Science . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1957
98 Nuclear Magnetic Resonance in Ferromagnetic Multilayers andNanocomposites: Structure Magnetic Properties and MagneticInteractions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1959Christian Mény and Pierre Panissod
99 Overview of NMR in Drug Design . . . . . . . . . . . . . . . . . . . . . . . . . 1971David J. Craik and Hayden Peacock
Part VII Pharmaceutical Science . . . . . . . . . . . . . . . . . . . . . . . . . . . 1983
100 Solid-State NMR for Studying Peptide Structures andPeptide-Lipid Interactions in Membranes . . . . . . . . . . . . . . . . . . 1985Erik Strandberg and Anne S. Ulrich
101 NMR Relaxation Analysis of PharmaceuticallyActive Peptides . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1997Conan K. Wang
102 Approaches to Delineate Disulfide Connectivities inPharmaceutical Peptides . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2021David Wilson and Norelle L. Daly
103 Nonuniform Sampling in Biomolecular NMR . . . . . . . . . . . . . . . 2035Tomas Marko Miljenović, Xinying Jia, and Mehdi Mobli
104 Characterization of Antimicrobial and Host-Defense Peptidesby NMR Spectroscopy . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2055Hans J. Vogel, Mauricio Arias, James M. Aramini, Subrata Paul,Zhihong Liu, and Hiroaki Ishida
105 Peptide Toxin Structure and Function by NMR . . . . . . . . . . . . . . 2081Raymond S. Norton
Contents xxv
106 NMR Spectroscopy in the Analysis of Protein-ProteinInteractions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2099David A. Gell, Ann H. Kwan, and Joel P. Mackay
107 The Transferred NOE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2133Mike P. Williamson
108 Probing Protein-RNA Interactions Through Spin-Labelling andParamagnetic Relaxation Enhancements . . . . . . . . . . . . . . . . . . . 2149Mark S. Searle and John Edwards
109 NMR-Based Metabolic Phenotyping Techniques andApplications . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2163John C. Lindon
110 Targeting G-quadruplex with Small Molecules: An NMRView . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2189Irene Bessi, Julia Wirmer-Bartoschek, Jyotirmayee Dash, andHarald Schwalbe
111 Applications of NMR Spectroscopy in FBDD . . . . . . . . . . . . . . . . 2211Matthew Bentley, Bradley C. Doak, Biswaranjan Mohanty, andMartin J. Scanlon
112 Isotope Ratio Monitoring by NMR: Part 3 – New Applicationsfor Traceability of Active Pharmaceutical Ingredients . . . . . . . . . 2233Gérald S. Remaud and Serge Akoka
113 Protein Misfolding . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2253Marie-Theres Hutchison and Harald Schwalbe
Index . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2269
xxvi Contents
Contributors
Elham Abbasi Department of Biotechnology, Norwegian University of NaturalScience and Technology, Trondheim, Norway
Serge Akoka Chimie et Interdisciplinarité: Synthèse, Analyse, Modélisation(CEISAM UMR CNRS 6230), Université de Nantes, Nantes, France
Mogens L. Andersen Department of Food Science, University of Copenhagen,Frederiksberg C, Denmark
Oleg N. Antzutkin Chemistry of Interfaces, Luleå University of Technology,Luleå, Sweden
James M. Aramini Structural Biology Initiative, City University of New York,New York, USA
Sigurjón Arason Faculty of Food Science and Nutrition, University of Iceland,Reykjavik, Iceland
Matis ohf. Icelandic Food and Biotech R&D, Value Chain, Processing and Aqua-culture, Reykjavik, Iceland
Mauricio Arias Bio-NMR Centre, Department of Biological Sciences, Universityof Calgary, Calgary, AB, Canada
Tetsuo Asakura Department of Biotechnology, Tokyo University of Agricultureand Technology, Koganei, Tokyo, Japan
Atsushi Asano Department of Applied Chemistry, National Defense Academy,Yokosuka, Kanagawa, Japan
Azhaar Ashraf Department of Neuroimaging, Institute of Psychiatry, Psychologyand Neuroscience, King’s College London, London, UK
Michèle Auger Department of Chemistry, Regroupement québécois de recherchesur la fonction, l’ingénierie et les applications des protéines (PROTEO), Centre derecherche sur les matériaux avancés (CERMA), Centre québécois sur les matériauxfonctionnels (CQMF), Université Laval, Québec, QC, Canada
xxvii
Marit Aursand Department of biotechnology and food science, SINTEF OceanProcessing technology group, Trondheim, Norway
Mykhailo Azarkh Department of Chemistry and Konstanz Research SchoolChemical Biology (KoRS-CB), University of Konstanz, Konstanz, Germany
Anurag Bagaria Institute of Biophysical Chemistry, Center for BiomolecularMagnetic Resonance, Goethe University Frankfurt am Main, Frankfurt am Main,Germany
Stefan Bagby Department of Biology and Biochemistry, University of Bath, Bath,UK
Maria Baias Department of Chemistry, Science Division, New York UniversityAbu Dhabi, Abu Dhabi, UAE
Marc Baldus NMR Spectroscopy, Bijvoet Center for Biomolecular Research,Utrecht University, Utrecht, CH, The Netherlands
Michel Bardet INAC-MEM, LRM, Univ. Grenoble Alpes, Grenoble, France
CEA, INAC, MEM, LRM, Grenoble, France
Pierre-Alain Bayle INAC-MEM, LRM, Univ. Grenoble Alpes, Grenoble, France
CEA, INAC, MEM, LRM, Grenoble, France
Walter Becker Institute of Chemistry, University of Graz, Graz, Austria
Jimmy David Bell Research Centre for Optimal Health, Department of Life Sci-ences, Faculty of Science and Technology, University of Westminster, London, UK
Matthew Bentley Medicinal Chemistry, Monash Institute of Pharmaceutical Sci-ences, Monash University, Parkville, Australia
Pau Bernadó Centre de Biochimie Structurale, CNRS UMR 5048 – INSERMU1054, Université de Montpellier, Montpellier, France
Marko Bertmer Institute for Experimental Physics II, Leipzig University, Leipzig,Germany
Hanne Christine Bertram Department of Food Science, Aarhus University,Aarslev, Denmark
Irene Bessi Institute of Organic Chemistry and Chemical Biology, Center forBiomolecular Magnetic Resonance (BMRZ), Goethe University Frankfurt, Frank-furt am Main, Germany
Isabelle Billault CP3A, ICMMO, UMR CNRS 8182, Université Paris Sud,Université Paris-Saclay, Orsay cedex, France
Bernhard Blümich Institut für Technische und Makromolekulare Chemie, RWTHAachen University, Aachen, Germany
xxviii Contributors
Roland Böhmer Fakultät Physik, Technische Universität Dortmund, Dortmund,Germany
Jean-Marie Bonny INRA, AgroResonance - UR370 QuaPA, Auvergne Rhône-Alpes, Saint-Genès-Champanelle, Clermont-Ferrand, France
Geertrui M. Bosmans Laboratory of Food Chemistry and Biochemistry and Leu-ven Food Science and Nutrition Research Centre (LFoRCe) KU Leuven, Leuven,Belgium
Rasmus Bro Department of Food Science, University of Copenhagen, Frederiks-berg C, Denmark
Michael F. Brown Department of Chemistry and Biochemistry, and Department ofPhysics, University of Arizona, Tucson, AZ, USA
David L. Bryce Department of Chemistry and Biomolecular Sciences and Centrefor Catalysis Research and Innovation, University of Ottawa, Ottawa, ON, Canada
Gerd Buntkowsky Institute of Physical Chemistry, Technische Universität Darm-stadt, Darmstadt, Germany
L. R. Cagliani Institute for Macromolecular Studies (ISMAC), Lab. NMR, CNR,Milan, Italy
S. P. Campbell In Vivo Imaging (UK), Bioimaging, Platform Technology andSciences, GlaxoSmithKline, Medicines Research Centre, Stevenage, Hertfordshire,UK
Donatella Capitani Laboratorio di Risonanza Magnetica “Annalaura Segre”,Istituto di Metodologie Chimiche, CNR Area della Ricerca di Roma 1,Monterotondo (RM), Italy
Francesco Capozzi Department of Agricultural and Food Sciences – DISTAL,University of Bologna, Cesena, Italy
Mercedes Careche Institute of Food Science, Technology, and Nutrition (ICTAN-CSIC), Madrid, Spain
Ana K. Carvajal SINTEF Ocean, Trondheim, Norway
An-Ni Chang DSM Nutritional Products, Columbia, MD, USA
K. K. Changani In Vivo Imaging (UK), Bioimaging, Platform Technology andSciences, GlaxoSmithKline, Medicines Research Centre, Stevenage, Hertfordshire,UK
Matilde Skogen Chauton Marine Resource Technology, Sintef Fisheries andAquaculture, Trondheim, Norway
Eduard A. Chekmenev Institute of Imaging Science, Vanderbilt University, Nash-ville, TN, USA
Contributors xxix
Wei Chen Department of Polymer Science, The University of Akron, Akron, OH,USA
State Key Lab of Pollution Control and Resource Reuse Study, College of Environ-mental Science and Engineering, Tongji University, Shanghai, China
Yuen-Li Chung Cancer Research UK Cancer Imaging Centre, Division of Radio-therapy and Imaging, The Institute of Cancer Research, London, UK
Piero Ciccioli Laboratorio di Risonanza Magnetica “Annalaura Segre”, Istituto diMetodologie Chimiche, CNR Area della Ricerca di Roma 1, Monterotondo (RM),Italy
Sylvie Clerjon INRA, AgroResonance - UR370 QuaPA, Auvergne Rhône-Alpes,Saint-Genès-Champanelle, Clermont-Ferrand, France
Marcio Fernando Cobo Applied, Industrial and Clinical MR Division, BrukerBioSpin GmbH, Rheinstetten, Germany
G. Collewet Environment and Agriculture, Irstea, UR OPAALE, Rennes, France
Univ Bretagne Loire, Rennes, France
Luiz Alberto Colnago Embrapa Instrumentação, São Carlos, SP, Brazil
R. Consonni Institute for Macromolecular Studies (ISMAC), Lab. NMR, CNR,Milan, Italy
Tiago N. Cordeiro Centre de Biochimie Structurale, CNRS UMR 5048 –INSERM U1054, Université de Montpellier, Montpellier, France
X-ray and Neutron Science, Niels Bohr Institute, Copenhagen, Denmark
David J. Craik Institute for Molecular Bioscience, The University of Queensland,Brisbane, QLD, Australia
Timothy A. Cross Institute of Molecular Biophysics, Florida State University,Tallahassee, FL, USA
National High Magnetic Field Laboratory, Tallahassee, FL, USA
Department of Chemistry and Biochemistry, Florida State University, Tallahassee,FL, USA
William Richard Crum Institute of Translational Medicine and Therapeutics,Imperial College London, Hammersmith Hospital, London, UK
Milos A. Cvetkovic Max Planck Institute for Developmental Biology, Tübingen,Germany
Norelle L. Daly Centre for Biodiscovery and Molecular Development of Thera-peutics, Australian Institute of Tropical Health and Medicine, James Cook Univer-sity, Cairns, Australia
xxx Contributors
Jyotirmayee Dash Department of Organic Chemistry, Indian Association for theCultivation of Science, Kolkata, India
DaanW. de Kort Laboratory of Biophysics, Wageningen University and Research,Wageningen, The Netherlands
Adriana Carvalho de Souza DSM Biotechnology Center AlexanderFlemminglaan 1, Delft, The Netherlands
Frank Decker Applied, Industrial and Clinical MR Division, Bruker BioSpinGmbH, Rheinstetten, Germany
Elise Delaforge Centre de Biochimie Structurale, CNRS UMR 5048 – INSERMU1054, Université de Montpellier, Montpellier, France
Jan A. Delcour Laboratory of Food Chemistry and Biochemistry, KU Leuven,Heverlee, Belgium
Feng Deng State Key Laboratory of Magnetic Resonance and Atomic and Molec-ular Physics, National Center for Magnetic Resonance in Wuhan, Wuhan Institute ofPhysics and Mathematics, Chinese Academy of Sciences, Wuhan, People’s Republicof China
Faith B. A. Descallar Tokyo University of Marine Science and Technology,Tokyo, Japan
Eleonore J. Deublein Applied, Industrial and Clinical MR Division, BrukerBioSpin GmbH, Rheinstetten, Germany
Joshua A. Dijksman Physical Chemistry and Soft Matter, Wageningen Universityand Research, Wageningen, The Netherlands
Alexander Dikiy Department of Biotechnology, Norwegian University of Scienceand Technology (NTNU), Trondheim, Norway
Bradley C. Doak Medicinal Chemistry, Monash Institute of Pharmaceutical Sci-ences, Monash University, Parkville, Australia
Aurelio James Dregni Department of Biochemistry, Molecular Biology and Bio-physics, University of Minnesota, Minneapolis, MN, USA
Malte Drescher Department of Chemistry and Konstanz Research School Chem-ical Biology (KoRS-CB), University of Konstanz, Konstanz, Germany
Alice Marie Sybille Durieux Department of Forensic and neurodevelopmentalSciences, Institute of Psychiatry, Psychology and Neuroscience, King’s CollegeLondon, London, UK
Parvaneh Ebrahimi Department of Food Science, University of Copenhagen,Frederiksberg C, Denmark
Contributors xxxi
Mattias Edén Department of Materials and Environmental Chemistry, StockholmUniversity, Stockholm, Sweden
John Edwards Manchester Institute of Biotechnology, University of Manchester,Manchester, UK
Søren B. Engelsen Chemometrics and Analytical Technology, Department of FoodScience, Faculty of Science, University of Copenhagen, Frederiksberg C, Denmark
Matthieu Fillion Department of Chemistry, Regroupement québécois de recherchesur la fonction, l’ingénierie et les applications des protéines (PROTEO), Centre derecherche sur les matériaux avancés (CERMA), Centre québécois sur les matériauxfonctionnels (CQMF), Université Laval, Québec, QC, Canada
Riqiang Fu National High Magnetic Field Laboratory, Tallahassee, FL, USA
David A. Gell School of Medicine, University of Tasmania, Hobart, TAS,Australia
Patrick Giraudeau Chimie et Interdisciplinarité: Synthèse, Analyse, Modélisation(CEISAM UMR CNRS 6230), Université de Nantes, Nantes, France
Institut Universitaire de France, Paris, France
M. J. Graves Department of Radiology, Box 218, University of Cambridge,Cambridge, UK
Cambridge University Hospitals NHS Foundation Trust, Addenbrooke’s Hospital,Cambridge, UK
I. S. Gribbestad Cancer Clinic, St. Olav University Hospital, Trondheim, Norway
Marina Gromova INAC-MEM, LRM, Univ. Grenoble Alpes, Grenoble, France
CEA, INAC, MEM, LRM, Grenoble, France
Nina Gubensäk Institute of Chemistry, University of Graz, Graz, Austria
María Gudjónsdóttir Faculty of Food Science and Nutrition, University of Ice-land, Reykjavik, Iceland
INRA UR370, Theix, Saint Genes Champanelle, France
Armel Guillermo INAC-SPrAM, Univ. Grenoble Alpes, Grenoble, France
INAC-SPrAM, CNRS, Grenoble, France
INAC-SPrAM, CEA, Grenoble, France
Peter Güntert Institute of Biophysical Chemistry, Center for Biomolecular Mag-netic Resonance, Goethe University Frankfurt am Main, Frankfurt am Main,Germany
Laboratory of Physical Chemistry, ETH Zürich, Zürich, Switzerland
Department of Chemistry, Graduate School of Science and Engineering, TokyoMetropolitan University, Tokyo, Japan
xxxii Contributors
Gisela Guthausen Institute for Mechanical Process Engineering and Mechanics,Process Machines, and Engler-Bunte Institute, Water Chemistry and Technology,Karlsruhe Institute of Technology, Karlsruhe, Germany
Torsten Gutmann Institute of Physical Chemistry, Technische Universität Darm-stadt, Darmstadt, Germany
Michelle Ha Department of Chemistry, University of Alberta, Edmonton, AB,Canada
M. V. Haase In Vivo Imaging (UK), Bioimaging, Platform Technology and Sci-ences, GlaxoSmithKline, Medicines Research Centre, Stevenage, Hertfordshire, UK
Agnes Haber Applied, Industrial and Clinical MR Division, Bruker BioSpinGmbH, Rheinstetten, Germany
Ian F. Harrison UCL Centre for Advanced Biomedical Imaging, Division ofMedicine, University College London, London, UK
Sabine Hediger INAC, University of Grenoble Alpes, Grenoble, France
INAC, CEA, Grenoble, France
INAC, CNRS, Grenoble, France
Amy H. Herlihy Perspectum Diagnostics Ltd, Oxford, UK
Francisco J. Hidalgo Instituto de la Grasa, Consejo Superior de InvestigacionesCientíficas, Seville, Spain
Yuuka Hirao Graduate School of Medical Life Science, Yokohama City Univer-sity, Yokohama, Japan
Sean T. Holmes Department of Chemistry and Biochemistry, University of Dela-ware, Newark, DE, USA
You-lee Hong Department of Polymer Science, The University of Akron, Akron,OH, USA
RIKEN CLST-JEOL Collaboration Center, RIKEN, Yokohama, Kanagawa, Japan
David W. Hoyt Pacific Northwest National Laboratory, Institute for IntegratedCatalysis and Earth and Biological Science Directorate, Richland, WA, USA
Mary Y. Hu Pacific Northwest National Laboratory, Institute for Integrated Catal-ysis and Earth and Biological Science Directorate, Richland, WA, USA
Jian Zhi Hu Pacific Northwest National Laboratory, Institute for Integrated Catal-ysis and Earth and Biological Science Directorate, Richland, WA, USA
Daniel Huster Institute of Medical Physics and Biophysics, Leipzig University,Leipzig, Germany
Contributors xxxiii
Marie-Theres Hutchison Institute for Organic Chemistry and Chemical Biology,Center for Biomolecular Magnetic Resonance, Johann Wolfgang Goethe-Universität, Frankfurt/M, Germany
Hiroaki Ishida Bio-NMR Centre, Department of Biological Sciences, Universityof Calgary, Calgary, AB, Canada
Rieko Ishima Department of Structural Biology, University of Pittsburgh School ofMedicine, Pittsburgh, PA, USA
Robbie J. Iuliucci Department of Chemistry, Washington and Jefferson College,Washington, PA, USA
Nicholas R. Jaegers Pacific Northwest National Laboratory, Institute for IntegratedCatalysis and Earth and Biological Science Directorate, Richland, WA, USA
Voiland School of Chemical Engineering and Bioengineering, Washington StateUniversity, Pullman, WA, USA
Eric Jamin Eurofins Analytics France, Nantes, France
Xinying Jia Centre for Advanced Imaging, The University of Queensland, Bris-bane, QLD, Australia
Ásbjörn Jónsson Matis ohf. Icelandic Food and Biotech R&D, Value Chain,Processing and Aquaculture, Reykjavik, Iceland
J. D. Kaggie Department of Radiology, Box 218, University of Cambridge, Cam-bridge, UK
Cambridge University Hospitals NHS Foundation Trust, Addenbrooke’s Hospital,Cambridge, UK
Masatsune Kainosho Structural Biology Research Center, Graduate School ofScience, Nagoya University, Nagoya, Japan
Graduate School of Science and Engineering, Tokyo Metropolitan University,Tokyo, Japan
Tammy L. Kalber UCL Centre of Advanced Biomedical Imaging, Division ofMedicine, University College London, London, UK
Shunsuke Kametani Department of Biotechnology, Tokyo University of Agricul-ture and Technology, Koganei, Tokyo, Japan
Magnea Gudrún Karlsdóttir Matis ohf. Icelandic Food and Biotech R&D, ValueChain, Processing and Aquaculture, Reykjavik, Iceland
Koichi Kato Institute for Molecular Science and Okazaki Institute for IntegrativeBiosciences, National Institutes of Natural Sciences, Okazaki, Japan
Graduate School of Pharmaceutical Sciences, Nagoya City University, Mizuho-ku,Nagoya, Japan
xxxiv Contributors
Gota Kawai Faculty of Advanced Engineering, Chiba Institute of Technology,Narashino-shi, Chiba, Japan
Izuru Kawamura Graduate School of Engineering, Yokohama National Univer-sity, Hodogaya-ku, Yokohama, Japan
Sina Kazemi Institute of Biophysical Chemistry, Center for Biomolecular Mag-netic Resonance, Goethe University Frankfurt am Main, Frankfurt am Main,Germany
Frankfurt Institute for Advanced Studies, Goethe University Frankfurt am Main,Frankfurt am Main, Germany
Yu-Ting Kuo Department of Medical Imaging, Chi Mei Medical Center, Tainan,Taiwan
Jun-ichi Kurita Graduate School of Medical Life Science, Yokohama City Uni-versity, Yokohama, Japan
Rance Kwamen Applied, Industrial and Clinical MR Division, Bruker BioSpinGmbH, Rheinstetten, Germany
Ann H. Kwan School of Life and Environmental Sciences, University of Sydney,Sydney, NSW, Australia
Vladimir Ladizhansky Department of Physics and Biophysics InterdepartmentalGroup, University of Guelph, Guelph, ON, Canada
Joseph B. Lambert Department of Chemistry, Trinity University, San Antonio,TX, USA
Peter P. Lankhorst DSM Biotechnology Center, Delft, Netherlands
Olga B. Lapina Boreskov Institute of Catalysis, Russian Academy of Sciences,Novosibirsk, Russia
Laurent Le Pape University Grenoble Alpes, Grenoble, France
CEA, BIG, Laboratoire de Chimie et Biologie des Métaux, Grenoble, France
CNRS, Grenoble, France
Daniel Lee INAC, University of Grenoble Alpes, Grenoble, France
INAC, CEA, Grenoble, France
Soohyun Lee Department of Chemistry and Biochemistry, University of Arizona,Tucson, AZ, USA
Avigdor Leftin Department of Medical Physics, Memorial Sloan Kettering CancerCenter, New York, NY, USA
Contributors xxxv
Philippe Lesot RMN en Milieu Orienté, ICMMO, UMR CNRS 8182, Universitéde Paris-Sud/Université Paris-Saclay, Orsay, France
Institut National de Chimie, Paris, France
Shenhui Li State Key Laboratory of Magnetic Resonance and Atomic and Molec-ular Physics, National Center for Magnetic Resonance in Wuhan, Wuhan Institute ofPhysics and Mathematics, Chinese Academy of Sciences, Wuhan, People’s Republicof China
Gigin Lin Department of Medical Imaging and Intervention, Clinical PhenomeCentre and Imaging Core Lab, Institute for Radiological Research, Chang GungMemorial Hospital at Linkou, College of Medicine, Chang Gung University,Taoyuan, Taiwan
John C. Lindon Computational and Systems Medicine, Department of Surgeryand Cancer, Imperial College London, South Kensington, London, UK
Zhihong Liu Bio-NMR Centre, Department of Biological Sciences, University ofCalgary, Calgary, AB, Canada
Silvia Lope-Piedrafita Servei de Ressonància Magnètica Nuclear and Centro deInvestigación Biomédica en Red-Bioingeniería, Biomateriales y Nanomedicina(CIBER-BBN), Universitat Autònoma de Barcelona, Cerdanyola del Vallès, Spain
T. Lucas Environment and Agriculture, Irstea, UR OPAALE, Rennes, France
Univ Bretagne Loire, Rennes, France
Mark F. Lythgoe UCL Centre for Advanced Biomedical Imaging, Division ofMedicine, University College London, London, UK
Joel P. Mackay School of Life and Environmental Sciences, University of Sydney,Sydney, NSW, Australia
Yoshiteru Makino Graduate School of Engineering, Yokohama National Univer-sity, Hodogaya-ku, Yokohama, Japan
K. J. Mallikarjunaiah Department of Physics, Indian Institute of Science, Banga-lore, India
Deni Mance NMR Spectroscopy, Bijvoet Center for Biomolecular Research,Utrecht University, Utrecht, CH, The Netherlands
François Mariette IRSTEA, Rennes, France
University Bretagne Loire, Rennes, France
Iciar Martinez Plentzia Marine Research Station, University of the Basque Coun-try UPV-EHU, Gorliz, Spain
IKERBASQUE, Basque Foundation for Science, Bilbao, Spain
Norwegian College of Fishery Science, University of Tromsø, Tromsø, Norway
xxxvi Contributors
Gary V. Martinez Department of Cancer Imaging and Metabolism, H. Lee MoffittCancer Center and Research Institute, Tampa, FL, USA
Shingo Matsukawa Tokyo University of Marine Science and Technology, Tokyo,Japan
P. Mazzei Centro Interdipartimentale per la Risonanza Magnetica Nucleare perl’Ambiente, l’Agro-Alimentare ed i Nuovi Materiali (CERMANU), Università diNapoli Federico II, Portici, Italy
Christian Mény Université de Strasbourg, CNRS, Institut de Physique et Chimiedes Matériaux de Strasbourg, Strasbourg, France
Vladimir K. Michaelis Department of Chemistry, University of Alberta, Edmon-ton, AB, Canada
Tomas Marko Miljenović Centre for Advanced Imaging, The University ofQueensland, Brisbane, QLD, Australia
Yohei Miyanoiri Structural Biology Research Center, Graduate School of Science,Nagoya University, Nagoya, Japan
Naoki Miyata Graduate School of Pharmaceutical Sciences, Nagoya City Univer-sity, Nagoya, Aichi, Japan
Toshikazu Miyoshi Department of Polymer Science, The University of Akron,Akron, OH, USA
Mehdi Mobli Centre for Advanced Imaging, The University of Queensland, Bris-bane, QLD, Australia
Biswaranjan Mohanty Medicinal Chemistry, Monash Institute of PharmaceuticalSciences, Monash University, Parkville, Australia
Trivikram R. Molugu Department of Chemistry and Biochemistry, University ofArizona, Tucson, AZ, USA
Tatiana Monaretto Instituto de Química de São Carlos, Universidade de SãoPaulo, São Carlos, SP, Brazil
Tiago BuenoMoraes Instituto de Física de São Carlos, Universidade de São Paulo,São Carlos, SP, Brazil
Revilia Mozuraityte Processing technology, SINTEF Fisheries and Aquaculture,Trondheim, Norway
Kamal H. Mroue Biophysics Program and Department of Chemistry, The Univer-sity of Michigan, Ann Arbor, MI, USA
Maja Musse IRSTEA, UR OPAALE, Rennes, France
Univ Bretagne Loire, Rennes, France
Contributors xxxvii
Akira Naito Graduate School of Engineering, Yokohama National University,Hodogaya-ku, Yokohama, Japan
Stefan Neubauer Radcliffe Department of Medicine, Division of CardiovascularMedicine, University of Oxford, John Radcliffe Hospital, Oxford, UK
Tatiana Nikolaeva Laboratory of Biophysics, Wageningen University andResearch, Wageningen, The Netherlands
Manoj Nimbalkar Applied, Industrial and Clinical MR Division, Bruker BioSpinGmbH, Rheinstetten, Germany
Katsuyuki Nishimura Institute for Molecular Science, National Institutes of Nat-ural Sciences, and Graduate University for Advanced Studies, Okazaki, Japan
Yoshifumi Nishimura Graduate School of Medical Life Science, Yokohama CityUniversity, Yokohama, Japan
Raymond S. Norton Medicinal Chemistry, Monash Institute of PharmaceuticalSciences, Monash University, Parkville, VIC, Australia
Luke A. O’Dell Institute for Frontier Materials, Deakin University, Geelong, VIC,Australia
Marise Ouellet Department of Chemistry, Regroupement québécois de recherchesur la fonction, l’ingénierie et les applications des protéines (PROTEO), Centre derecherche sur les matériaux avancés (CERMA), Centre québécois sur les matériauxfonctionnels (CQMF), Université Laval, Québec, QC, Canada
Gaël De Paëpe INAC, University of Grenoble Alpes, Grenoble, France
INAC, CEA, Grenoble, France
Pierre Panissod Université de Strasbourg, CNRS, Institut de Physique et Chimiedes Matériaux de Strasbourg, Strasbourg, France
P. Stephen Patrick UCL Centre of Advanced Biomedical Imaging, Division ofMedicine, University College London, London, UK
Subrata Paul Bio-NMR Centre, Department of Biological Sciences, University ofCalgary, Calgary, AB, Canada
Joana Paulino Institute of Molecular Biophysics, Florida State University, Talla-hassee, FL, USA
National High Magnetic Field Laboratory, Tallahassee, FL, USA
Hayden Peacock Institute for Molecular Bioscience, The University of Queens-land, Brisbane, QLD, Australia
Suchithranga M. D. C. Perera Department of Chemistry and Biochemistry, Uni-versity of Arizona, Tucson, AZ, USA
xxxviii Contributors
Horia I. Petrache Department of Physics, Indiana University-Purdue University,Indianapolis, IN, USA
A. Piccolo Centro Interdipartimentale per la Risonanza Magnetica Nucleare perl’Ambiente, l’Agro-Alimentare ed i Nuovi Materiali (CERMANU), Università diNapoli Federico II, Portici, Italy
William S. Price Nanoscale Organisation and Dynamics Group, Western SydneyUniversity, Penrith, NSW, Australia
Noemi Proietti Laboratorio di Risonanza Magnetica “Annalaura Segre”, Istituto diMetodologie Chimiche, CNR Area della Ricerca di Roma 1, Monterotondo (RM),Italy
Ayyalusamy Ramamoorthy Biophysics Program and Department of Chemistry,The University of Michigan, Ann Arbor, MI, USA
Naomi Rankin Institute of Cardiovascular and Medical Sciences (ICAMS), BHFGlasgow Cardiovascular Research Centre and Glasgow Polyomics, College ofMedical, Veterinary and Life Sciences, University of Glasgow, Glasgow, Scotland,UK
Marilena Rega Institute of Nuclear Medicine, University College London, Lon-don, UK
Bernd Reif Munich Center for Integrated Protein Science (CIPSM) at DepartmentChemie, Technische Universität München, Garching, Germany
Helmholtz-Zentrum München (HMGU), German Research Center for Environmen-tal Health, Neuherberg, Germany
Gérald S. Remaud Chimie et Interdisciplinarité: Synthèse, Analyse, Modélisation(CEISAM UMR CNRS 6230), Université de Nantes, Nantes, France
Richard J. Robins Elucidation of Biosynthesis by Isotopic Spectrometry Group,Interdisciplinary Chemistry: Synthesis, Analysis, Modeling, University of Nantes-CNRS UMR6230, Nantes, France
Corinne Rondeau-Mouro UR OPAALE, IRSTEA, Rennes, France
Kay Saalwächter Institut für Physik – NMR, Martin-Luther-Universität Halle-Wittenberg, Halle, Germany
Isabel Sánchez-Alonso Institute of Food Science, Technology, and Nutrition(ICTAN-CSIC), Madrid, Spain
Jorge A. Santiago-Blay Department of Paleobiology, National Museum of NaturalHistory, Washington, DC, USA
Martin J. Scanlon Medicinal Chemistry, Monash Institute of Pharmaceutical Sci-ences, Monash University, Parkville, Australia
Contributors xxxix
P. Scano Institute for Macromolecular Studies (ISMAC), Lab. NMR, CNR, Milan,Italy
Department of Chemical and Geological Sciences, University of Cagliari,Monserrato, Cagliari, Italy
Elena Schmidt Institute of Biophysical Chemistry, Center for Biomolecular Mag-netic Resonance, Goethe University Frankfurt am Main, Frankfurt am Main,Germany
Jürgen E. Schneider Radcliffe Department of Medicine, Division of Cardiovas-cular Medicine, University of Oxford, John Radcliffe Hospital, Oxford, UK
Harald Schwalbe Institute of Organic Chemistry and Chemical Biology, Center forBiomolecular Magnetic Resonance (BMRZ), Goethe University Frankfurt, Frank-furt am Main, Germany
Stephan Schwarzinger Research Center for Biomacromolecules, University ofBayreuth, Bayreuth, Germany
Mark S. Searle School of Chemistry, Centre for Biomolecular Sciences, UniversityPark, University of Nottingham, Nottingham, UK
Karin Shmueli Department of Medical Physics and Biomedical Engineering,University College London, London, UK
Aleksandr A. Shubin Boreskov Institute of Catalysis, Russian Academy of Sci-ences, Novosibirsk, Russia
Elena Shumilina Department of Biotechnology, Norwegian University of Scienceand Technology (NTNU), Trondheim, Norway
Nathalie Sibille Centre de Biochimie Structurale, CNRS UMR 5048 – INSERMU1054, Université de Montpellier, Montpellier, France
C. Sinding Centre des Sciences du Goût et de l’Alimentation, INRA, AgroSupDijon, CNRS, University of Bourgogne Franche-Comté, Dijon, France
Leif H. Skibsted Department of Food Science, University of Copenhagen, Freder-iksberg C, Denmark
Rasa Slizyte Processing technology, SINTEF Fisheries and Aquaculture, Trond-heim, Norway
Po-Wah So Department of Neuroimaging, Institute of Psychiatry, Psychology andNeuroscience, King’s College London, London, UK
Remco Sprangers Max Planck Institute for Developmental Biology, Tübingen,Germany
Apostolos Spyros NMR Laboratory, Chemistry Department, University of Crete,Heraklion, Crete, Greece
xl Contributors
Inger B. Standal Department of Processing Technology, SINTEF Ocean, Trond-heim, Norway
Michael Storek Fakultät Physik, Technische Universität Dortmund, Dortmund,Germany
Ivar Storrø SINTEF Ocean, Trondheim, Norway
Trond Størseth SINTEF Ocean, Trondheim, Norway
Erik Strandberg Institute of Biological Interfaces (IBG-2), Karlsruhe Institute ofTechnology (KIT), Karlsruhe, Germany
Madeleine Strickland Laboratory of Molecular Biophysics, National Heart, Lung,and Blood Institute, Bethesda, MD, USA
Andrey V. Struts Department of Chemistry and Biochemistry, University of Ari-zona, Tucson, AZ, USA
Laboratory of Biomolecular NMR, St. Petersburg State University, St. Petersburg,Russia
Manu Veliparambil Subrahmanian Department of Biochemistry, MolecularBiology and Biophysics, University of Minnesota, Minneapolis, MN, USA
Pingchuan Sun State Key Laboratory of Medicinal Chemical Biology, NankaiUniversity, Tianjin, P. R. China
Key Laboratory of Functional Polymer Materials of Ministry of Education andCollege of Chemistry, Nankai University, Tianjin, P. R. China
Patrick M. J. Szell Department of Chemistry and Biomolecular Sciences andCentre for Catalysis Research and Innovation, University of Ottawa, Ottawa, ON,Canada
Mitsuhiro Takeda Structural Biology Research Center, Graduate School of Sci-ence, Nagoya University, Nagoya, Japan
Department of Structural BioImaging, Faculty of Life Sciences, Kumamoto Univer-sity, Kumamoto, Japan
Michikazu Tanio National Institute of Infectious Diseases, Tokyo, Japan
Victor V. Terskikh Department of Chemistry, University of Ottawa, Ottawa, ON,Canada
Héloïse Thérien-Aubin Max Planck Institute for Polymer Research, Mainz,Germany
David L. Thomas Leonard Wolfson Experimental Neurology Centre, UCL Insti-tute of Neurology, University College London, London, UK
Neuroradiological Academic Unit, UCL Institute of Neurology, University CollegeLondon, London, UK
Contributors xli
Freddy Thomas Eurofins Analytics France, Nantes, France
T. Thomas-Danguin Centre des Sciences du Goût et de l’Alimentation, INRA,AgroSup Dijon, CNRS, University of Bourgogne Franche-Comté, Dijon, France
John S. Thornton Lysholm Department of Neuroradiology, National Hospital forNeurology and Neurosurgery, UCLH NHS Trust, London, UK
Nico Tjandra Laboratory of Molecular Biophysics, National Heart, Lung, andBlood Institute, Bethesda, MD, USA
Francisco Torrealdea Centre for Medical Imaging, University College London,London, UK
Department of Brain Repair and Rehabilitation, UCL Institute of Neurology, Uni-versity College London, London, UK
Amidou Traoré INRA UR370, Theix, Saint Genes Champanelle, France
Valeria Di Tullio Laboratorio di Risonanza Magnetica “Annalaura Segre”, Istitutodi Metodologie Chimiche, CNR Area della Ricerca di Roma 1, Monterotondo (RM),Italy
Satoru Tuzi Graduate School of Life Science, University of Hyogo, Hyogo, Japan
Anne S. Ulrich Institute of Biological Interfaces (IBG-2), Karlsruhe Institute ofTechnology (KIT), Karlsruhe, Germany
Institute of Organic Chemistry, KIT, Karlsruhe, Germany
M. Valentini CREA – Research Centre for Food and Nutrition, Rome, Italy
Department of Chemistry, Sultan Qaboos University, Al-Khoud, Muscat, Sultanateof Oman
Henk Van As Laboratory of Biophysics and Wageningen NMR Centre,Wageningen University, Wageningen, The Netherlands
Frans W. J. van den Berg Chemometrics and Analytical Technology, Departmentof Food Science, Faculty of Science, University of Copenhagen, Frederiksberg C,Denmark
Justin J. J. van der Hooft College of Medical, Veterinary and Life Sciences,Glasgow Polyomics/University of Glasgow, Glasgow, UK
Louise van der Weerd Department of Radiology, Leiden University MedicalCenter, Leiden, The Netherlands
Gianluigi Veglia Department of Biochemistry, Molecular Biology and Biophysics,University of Minnesota, Minneapolis, MN, USA
Department of Chemistry, University of Minnesota, Minneapolis, MN, USA
Nanna Viereck Department of Food Science, University of Copenhagen, Freder-iksberg C, Denmark
xlii Contributors
Hans J. Vogel Bio-NMR Centre, Department of Biological Sciences, University ofCalgary, Calgary, AB, Canada
Michael Vogel Institut für Festkörperphysik, Technische Universität Darmstadt,Darmstadt, Germany
Yong Wang Pacific Northwest National Laboratory, Institute for Integrated Catal-ysis and Earth and Biological Science Directorate, Richland, WA, USA
Voiland School of Chemical Engineering and Bioengineering, Washington StateUniversity, Pullman, WA, USA
Conan K. Wang Institute for Molecular Bioscience, The University of Queens-land, Brisbane, Australia
Markus Weingarth NMR Spectroscopy, Bijvoet Center for BiomolecularResearch, Utrecht University, Utrecht, CH, The Netherlands
Jack A. Wells UCL Centre for Advanced Biomedical Imaging, Division of Med-icine, University College London, London, UK
Mike P. Williamson Department of Molecular Biology and Biotechnology, Uni-versity of Sheffield, Sheffield, UK
David Wilson Centre for Biodiscovery and Molecular Development of Therapeu-tics, Australian Institute of Tropical Health and Medicine, James Cook University,Cairns, Australia
Julia Wirmer-Bartoschek Institute of Organic Chemistry and Chemical Biology,Center for Biomolecular Magnetic Resonance (BMRZ), Goethe University Frank-furt, Frankfurt am Main, Germany
C. M. Wright In Vivo Imaging (UK), Bioimaging, Platform Technology and Sci-ences, GlaxoSmithKline, Medicines Research Centre, Stevenage, Hertfordshire, UK
Gang Wu Department of Chemistry, Queen’s University, Kingston, ON, Canada
Yuyang Wu Department of Chemistry, Northwestern University, Evanston, IL,USA
Julia Maren Würz Institute of Biophysical Chemistry, Center for BiomolecularMagnetic Resonance, Goethe University Frankfurt am Main, Frankfurt am Main,Germany
Xiaolin Xu Department of Physics, University of Arizona, Tucson, AZ, USA
Hirokazu Yagi Graduate School of Pharmaceutical Sciences, Nagoya City Univer-sity, Mizuho-ku, Nagoya, Japan
Takumi Yamaguchi Graduate School of Pharmaceutical Sciences, Nagoya CityUniversity, Mizuho-ku, Nagoya, Japan
School of Materials Science, Japan Advanced Institute of Science and Technology,Nomi, Japan
Contributors xliii
Shichen Yuan Department of Polymer Science, The University of Akron, Akron,OH, USA
Rosario Zamora Instituto de la Grasa, Consejo Superior de InvestigacionesCientíficas, Seville, Spain
Klaus Zangger Institute of Chemistry, University of Graz, Graz, Austria
Rongchun Zhang State Key Laboratory of Medicinal Chemical Biology, NankaiUniversity, Tianjin, P. R. China
Qiuhua Zhao East China Normal University, Minhang Qu, Shanghai Shi, China
Anmin Zheng State Key Laboratory of Magnetic Resonance and Atomic andMolecular Physics, National Center for Magnetic Resonance in Wuhan, WuhanInstitute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan,People’s Republic of China
Yun Zhou East China Normal University, Minhang Qu, Shanghai Shi, China
Xiao-Xia Zhu Département de chimie, Université de Montréal, Montréal, QC,Canada
xliv Contributors
