Modern Magnetic Resonance PDF
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Modern Magnetic Resonance Part 1 Part 1: Applications in Chemistry, Biological and Marine Sciences Part 2: Applications in Medical and Pharmaceutical Sciences Part 3: Applications in Materials Science and Food Science Modern Magnetic Resonance Part 1: Applications in Chemistry, Biological and Marine Sciences Graham A. Webb (Ed.) Royal Society of Chemistry, London, UK AC.I.P.CataloguerecordforthisbookisavailablefromtheLibraryofCongress. ISBN978-1-4020-3894-5(HB) ISBN978-1-4020-3910-2(e-book) PublishedbySpringer, P.O.Box17,3300AADordrecht,TheNetherlands. www.springer.com Printedonacid-freepaper First published in 2006 Reprinted with corrections in 2008 Allrightsreserved. (cid:1)C 2008Springer Nopartofthisworkmaybereproduced,storedinaretrievalsystem,ortransmittedinanyformorbyanymeans, electronic, mechanical, photocopying, microfilming, recording or otherwise, without written permission from the Publisher,withtheexceptionofanymaterialsuppliedspecificallyforthepurposeofbeingenteredandexecutedona computersystem,forexclusiveusebythepurchaserofthework. V Contents ListofSectionEditors........................................................................................................... XI Preface............................................................................................................................... XIII ColorPlateSection................................................................................................................ XV APPLICATIONS IN CHEMISTRY Foreword ............................................................................................................................ 3 Abbreviations...................................................................................................................... 5 Amyloids 9 KineticsofAmyloidFibrilFormationofHumanCalcitonin, Miya Kamihira, Hazime Sait ô, and Akira Nai t o .............................................................................................................. 11 PolymorphismofAlzheimer’sAβAmyloidFibrils, Oleg N. Antzutkin........................................... 19 Chemical Shifts andSpin-Couplings 29 13C,15N,1H,2H,and17ONMRChemicalShiftNMRforHydrogenBonds, Shigeki Kuroki..................... 31 NMRChemicalShiftMap, Isao Ando and Tetsuo Asakura............................................................ 37 NMRChemicalShiftsBasedonBandTheory, Hiromichi Kurosu and Takeshi Yamanobe...................... 43 ModelingNMRChemicalShifts, Julio C. Facelli....................................................................... 53 AbInitioCalculationofNMRShieldingConstants, Peter B . Karadakov......................................... 63 CrystalStructureRefinementUsingChemicalShifts, Ulrich Sternberg, Raiker Witter, and Anne S. Ulrich 71 TheTheoryofNuclearSpin–SpinCouplings, Hiroyuki Fukui....................................................... 79 Fibrous Proteins 85 InvestigationofCollagenDynamicsbySolid-StateNMRSpectroscopy, Göran Zernia and Daniel Huster 87 Solid-StateNMRStudiesofElastinandElastinPeptides, Kristin K. Kumashiro............................... 93 StructuralAnalysisofSilkFibroinsusingNMR, Tetsuo Asakura and Yasumoto Nakazawa.................. 101 Field GradientNMR 107 NMRDiffusometry, William S. Price...................................................................................... 109 FieldGradientNMRofLiquidCrystals, István Furó and Sergey V. Dvinskikh .................................... 117 FieldGradientNMRforPolymerSystemswithCavities, Yuji Yamane and Sunmi Kim........................ 123 NMRMeasurementsUsingFieldGradientsandSpatialInformation, Shingo Matsukawa................... 129 TheoryandApplicationofNMRDiffusionStudies, Torsten Brand, Eurico J. Cabrita, and Stefan Berger 135 Host–GuestChemistry 145 Solid-StateNMRinHost–GuestChemistry, John A. Ripmeester and Christopher I. Ratcliffe................ 147 Imaging 155 MappingofFlowandAccelerationwithNMRMicroscopyTechniques, Elke Kossel, Bogdan Buhai, and Rainer Kimmich ....................................................................................................... 157 IndustrialApplicationofInsituNMRImagingExperimentstoSteel-MakingProcess, Koji Saito...... 163 BiomedicalNMRSpectroscopyandImaging, Toshiro Inubushi and Sigehiro Morikawa....................... 173 VI Contents ElectronSpinResonanceImaginginPolymerResearch, Shulamith Schlick................................... 179 NMRImaging:MonitoringofSwellingofEnvironmentalSensitiveHydrogels, Karl-Friedrich Arndt, Manfred Knörgen, Sven Richter, and Thomas Schmidt................................................................... 187 InorganicMaterialsandCatalysis 195 Exploiting1H→29SiCross-PolarizationFeaturesforStructuralCharacterization ofInorganicMaterials, Piotr Tekely.................................................................................... 197 SolidStateNMRCharacterizationofSolidSurfaceofHeterogeneousCatalysts, Feng Deng, Jun Yang, and Chaohui Ye.............................................................................................................. 205 Isotope Labeling 213 RecentDevelopmentsinStable-Isotope-AidedMethodsforProteinNMRSpectroscopy, Shin-ya Ohki and Masatsune Kainosho................................................................................................... 215 StructuralGlycobiologybyStable-isotope-assistedNMRSpectroscopy, Yoshiki Yamaguchi and Koichi Kato.................................................................................................................... 223 Lipid BilayerandBicelle 231 DevelopmentandApplicationofBicellesforUseinBiologicalNMRandOther BiophysicalStudies, Charles R. Sanders............................................................................... 233 NuclearMagneticResonanceofOrientedBilayerSystems, Akira Naito, Shuichi Toraya, and Katsuyuki Nishimura........................................................................................................ 241 Solid-StateDeuteriumNMRSpectroscopyofMembranes, Michael F. Brown, Silvia Lope-Piedrafita, Gray V. Martinez, and Horia I. Petrache................................................................................. 249 SolidState19F-NMRAnalysisofOrientedBiomembranes, Anne S. Ulrich..................................... 261 Membrane-Associated Peptides 269 Solid-StateNMRStudiesoftheInteractionsandStructureofAntimicrobial PeptidesinModelMembranes, Marise Ouellet and Michèle Auger............................................... 271 AnisotropicChemicalShiftPerturbationInducedbyIonsinConductingChannels, Jun Hu, Eduard Chekmenev, and Timothy A. Cross............................................................................... 279 NMRStudiesofIon-TransportingBiologicalChannels, James F. Hinton....................................... 285 MembraneProteins 289 Site-DirectedNMRStudiesonMembraneProteins, Hazime Saitô................................................ 291 StructureofMembrane-BindingProteinsRevealedbySolid-StateNMR, Satoru Tuzi, Naoko Uekama, Masashi Okada, and Hitoshi Yagisawa .................................................................................. 299 Solid-StateNMRofMembrane-ActiveProteinsandPeptides, John D. Gehman and Frances Separovic.. 305 MagneticResonanceSpectroscopicStudiesoftheIntegralMembraneProteinPhospholamban, Gary A. Lorigan............................................................................................................... 313 NMRStudiesoftheInteractionsBetweenLigandsandMembrane-Embedded Receptors:NewMethodsforDrugDiscovery, David A. Middleton............................................... 319 PhotosyntheticAntennaeandReactionCenters, H.J.M. de Groot ................................................ 327 InsightintoMembraneProteinStructurefromHigh-ResolutionNMR, Philip L. Yeagle and Arlene Albert. 335 NewDevelopments 345 FastMultidimensionalNMR:NewWaystoExploreEvolutionSpace, Ray Freeman and Eriks Kup(cid:254)e...... 347 High-SensitivityNMRProbeSystems, P.J.M. van Bentum and A.P.M. Kentgens............................... 353 CRAMPS,B.C. Gerstein and H. Kimura..................................................................................... 363 MobileNMR, B. Blümich and F. Casanova............................................................................... 373 Rheo-NMR,Paul T Callaghan................................................................................................ 383 AnalyticalAspectsofSolid-StateNMRSpectroscopy, Cecil Dybowski............................................ 389 Contents VII 3HNMRandItsApplication, John R. Jones and Shui-Yu Lu......................................................... 395 On-lineSEC–NMR, Tatsuki Kitayama and Koichi Ute................................................................... 399 NOEandChemical Exchange 407 TheNuclearOverhauserEffect, Mike P Williamson.................................................................... 409 Solute–SolventInteractionsExaminedbytheNuclearOverhauserEffect, J.T. Gerig....................... 413 ChemicalExchange, Alex D. Bain........................................................................................... 421 NQR &ESR 429 SeparatedDetectionofH-TransferMotionsinMulti-H-BondedSystemsStudiedby Combined1HNMRand35ClNQRMeasurements, Ryuichi Ikeda................................................ 431 EPR:Principles, Bruce R. McGarvey........................................................................................ 439 ZeroFieldNMR:NMRandNQRinZeroMagneticField, David B. Zax............................................ 445 OrganoMetallic Chemistry 453 OrganoboronChemistry, Bernd Wrackmeyer............................................................................ 455 OrganogermaniumChemistry, Bernd Wrackmeyer..................................................................... 459 OrganotinChemistry, Bernd Wrackmeyer................................................................................ 461 ParamagneticEffects 465 1Hand13CHigh-ResolutionSolid-StateNMRofParamagneticCompoundsUnder VeryFastMagicAngleSpinning, Yoshitaka Ishii and Nalinda P. Wickramasinghe............................ 467 ParamagneticEffectsofDioxygeninSolutionNMR—StudiesofMembrane ImmersionDepth,ProteinTopology,andProteinInteractions, R.S. Prosser and F. Evanics.............. 475 Protein Structure 485 TROSYNMRforStudiesofLargeBiologicalMacromoleculesinSolution, César Fernández, Gerhard Wider 487 NMRInsightofStructuralStabilityandFoldingofCalcium-BindingLysozyme, Makoto Demura........ 497 NMRInvestigationofCalmodulin, Tapas K. Mal and Mitsuhiko Ikura............................................ 503 AnalyticalFrameworkforProteinStructureDeterminationbySolid-State NMRofAlignedSamples, Alexander A. Nevzorov and Stanley J. Opella......................................... 517 DeterminingProtein3DStructurebyMagicAngleSpinningNMR, Ovidiu C. Andronesi, Henrike Heise, and Marc Baldus............................................................................................................. 527 19FNMRStudyofb-TypeHaemoproteins, Yasuhiko Yamamoto, Satoshi Nagao, and Akihiro Suzuki....... 531 Polymer Structure 539 NMRinDryorSwollenTemporaryorPermanentNetworks, Jean-Pierre Cohen Addad....................... 541 CrystallineStructureofEthyleneCopolymersandItsRelationtothe ComonomerContent, Qun Chen......................................................................................... 545 IsomorphisminBacteriallySynthesizedBiodegradableCopolyesters, Naoko Yoshie and Yoshio Inoue... 551 Two-DimensionalNMRAnalysisofStereoregularityofPolymers, A.S. Brar and Gurmeet Singh........... 557 QuantitativeAnalysisofConformationsinDisorderedPolymersby Solid-StateMultiple-QuantumNMR, Hironori Kaji.................................................................. 563 PolymerMicrostructure:TheConformationalConnectiontoNMR, Alan E. Tonelli........................... 567 Solid-StateNMRCharacterizationofPolymerInterfaces, Peter A. Mirau....................................... 575 TheStructureofPolymerNetworks, Andrew K. Whittaker........................................................... 583 1HCRAMPSNMRofPolypeptidesintheSolidState, Akira Shoji................................................. 591 Polymer Dynamics 605 DynamicsofAmorphousPolymers, Fumitaka Horii................................................................... 607 MolecularMotionsofCrystallinePolymersbySolid-StateMASNMR, Toshikazu Miyoshi................... 615 VIII Contents DynamicsinPolypeptidesbySolidState2HNMR, Toshifumi Hiraoki........................................... 621 Polymer Blends 629 PolymerBlends, Atsushi Asano............................................................................................ 631 ConfigurationalEntropyandPolymerMiscibility:NewExperimentalInsights FromSolid-StateNMR, Jeffery L. White............................................................................... 637 QuantumInformationProcessing 645 QuantumInformationProcessingasStudiedbyMolecule-BasedPulsed ENDORSpectroscopy, Robabeh Rahimi, Kazunobu Sato, Daisuke Shiomi, and Takeji Takui................. 647 Residual DipolarCouplings andNucleic Acids 655 NewApplicationsforResidualDipolarCouplings:ExtendingtheRangeofNMR inStructuralBiology, Rebecca S. Lipsitz and Nico Tjandra......................................................... 657 RefinementofNucleicAcidStructureswithResidualDipolarCouplingRestraintsin CartesianCoordinateSpace, Nikolai B. Ulyanov, Zhihua Du, and Thomas L. James.......................... 665 ConformationalAnalysisofDNAandRNA, Gota Kawai............................................................. 671 Solid-State NMR Technique 677 AnalyticalandNumericalToolsforExperimentDesigninSolid-StateNMRSpectroscopy, Niels Chr. Nielsen, Thomas Vosegaard, and Anders Malmendal....................................................... 679 HomonuclearShift-CorrelationExperimentinSolids, K. Takegoshi............................................. 689 Two-Dimensional17OMultiple-QuantumMagic-AngleSpinningNMRofOrganicSolids, Gang Wu..... 695 AFamilyofPISEMAExperimentsforStructuralStudiesofBiologicalSolids, Ayyalusamy Ramamoorthy and Kazutoshi Yamamoto................................................................................................. 703 StructuralConstraintsinSolids 711 Rotational-Echo,Double-ResonanceNMR, Terry Gullion............................................................ 713 REDORinMultipleSpinSystem, Katsuyuki Nishimura and Akira Naito........................................ 719 TorsionAngleDeterminationbySolid-StateNMR, Mei Hong...................................................... 727 SecondaryStructureAnalysisofProteinsfromAngle-DependentInteractions, Toshimichi Fujiwara and Hideo Akutsu............................................................................................................ 735 Telomeric DNAComplexes 741 ComparisonofDNA-BindingActivitiesBetweenhTRF2andhTRF1withhTRF2Mutants, Shingo Hanaoka, Aritaka Nagadoi, and Yoshifumi Nishimura........................................................ 743 APPLICATIONS IN BIOLOGICAL SCIENCES Abbreviations...................................................................................................................... 755 OptimizationofMRIContrastforPre-ClinicalStudiesatHighMagneticField, Yu-Ting Kuo, Amy H. Herlihy 759 TheApplicationofInVivoMRIandMRSinPhenomicStudiesofMurine ModelsofDisease, Po-Wah So and Jimmy D. Bell................................................................... 769 ExperimentalModelsofBrainDisease:MRIContrastMechanismsfortheAssessment of PathophysiologicalStatus, David L. Thomas, Louise van der Weerd, Mark F. Lythgoe, and John S. Thornton 787 ExperimentalModelsofBrainDisease:MRIStudies, Louise van der Weerd, David Thomas, John Thornton Mankin choy, and Mark F. Lythgoe ....................................................................................... 801 ApplicationofMRSinCancerinPre-clinicalModels, Y.-L. Chung, M. Stubbs, and J.R. Griffiths........... 823 ExperimentalCardiovascularMRinSmallAnimals, Jürgen E. Schneider and Stefan Neubauer............. 835 Contents IX ApplicationofPharmacologicalMRItoPreclinicalDrug DiscoveryandDevelopment, Matthew D. Ireland and Steven C.R. Williams.................................... 855 ApplicationofMRItoCellTracking, Kishore Bhakoo, Catherine Chapon, Johanna Jackson, and William Jones 879 APPLICATIONS IN MARINE SCIENCE Foreword............................................................................................................................. 893 Abbreviations....................................................................................................................... 895 ComprehensiveCompositionalAnalysisofFishFeedby TimeDomainNMR, Emil Veliyulin, Karl Østerhus, Wolfgang Burk, Trond Singstad, and Tore Skjetne....... 897 LowFieldNMRStudiesofAtlanticSalmon(Salmosalar),Ida Grong Aursand, Emil Veliyulin, and Ulf Erikson............................................................................................................... 905 WaterDistributionandMobilityinFishProductsinRelationtoQuality, Bo M. Jørgensen and Kristina N. Jensen ........................................................................................................... 915 ProtonNMRofFishOilsandLipids, R. Sacchi, M. Savarese, L. Falcigno, I. Giudicianni, and L. Paolillo.. 919 DeterminationofFattyAcidCompositionandOxidationinFishOilsbyHighResolution NuclearMagneticResonanceSpectroscopy, Rosario Zamora and Francisco J. Hidalgo...................... 925 ResonanceSpectroscopytoStudyLipidOxidation inFishandFishProducts, E. Falch and M. Aursand................................................................ 933 Omega-3FattyAcidContentofIntactMuscleofFarmedAtlanticSalmon (Salmo Salar) Examinedby1HMASNMRSpectroscopy, M. Aursand, I.S. Gribbestad, and I. Martinez.................... 941 HRMASNMRSpectroscopyofMarineMicroalgae,Part1:ClassificationandMetabolite CompositionfromHRMAS1HNMRSpectraandMultivariateAnalysis, Matilde Skogen Chauton and Trond Røvik Størseth......................................................................................................... 947 HRMASNMRSpectroscopyofMarineMicroalgae,Part2:13Cand13CHRMASNMRAnalysis UsedtoStudyFattyAcidCompositionandPolysaccharideStructure, Trond Røvik Størseth, Matilde S. Chauton, and Jostein Krane................................................................................... 953 Post-mortemStudiesofFishUsingMagneticResonanceImaging, Emil Veliyulin, Alv Borge, Trond Singstad, Ingrid Gribbestad, and Ulf Erikson.................................................................... 959 HowistheFishMeatAffectedbyTechnologicalProcesses?, Loïc Foucat, Ragni Ofstad, and Jean-Pierre Renou...................................................................................................... 967 Author Index Subject Index
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