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Magnetic Resonance SpectroscopyNuclear Magnetic Resonance, BiomolecularMagnetic Resonance ImagingCreatinePhosphocreatineProtonsCholineAspartic AcidNitrogen IsotopesElectron Spin Resonance SpectroscopyCarbon IsotopesPhosphorusBrainInositolModels, MolecularSolutionsPhosphorus IsotopesProtein Structure, SecondaryProtein ConformationHydrogenMagnetic Resonance AngiographyMolecular Sequence DataEnergy MetabolismFluorineHydrogen-Ion ConcentrationPhosphatesAmino Acid SequenceMagnetic Resonance Imaging, CineCarbohydrate SequenceMolecular StructureGlutamineBrain ChemistryLactic AcidGlutamic AcidSpectrum AnalysisCarbohydrate ConformationSpectroscopy, Near-InfraredCircular DichroismDiffusion Magnetic Resonance ImagingBinding SitesMolecular ConformationPhosphorylcholineMass SpectrometryAdenosine TriphosphateDeuteriumContrast MediaProtein BindingSpectrophotometry, InfraredMuscle, SkeletalWaterProtein Structure, TertiaryKineticsReproducibility of ResultsEscherichia coliImage Processing, Computer-AssistedSurface Plasmon ResonanceOxygenProtein FoldingTime FactorsBrain MappingOxidation-ReductionGlycerylphosphorylcholineHydrogen BondingLactatesSensitivity and SpecificityChromatography, High Pressure LiquidMetabolomicsSpin LabelsBrain NeoplasmsBrain DiseasesGyrus CinguliSpectrum Analysis, RamanAlgorithmsModels, ChemicalTemperatureMicellesOccipital LobeThermodynamicsNeurochemistryGadolinium DTPASpectrophotometry, UltravioletSpectrometry, FluorescenceO AntigensGadoliniumChemistryMetabolomeChemical PhenomenaReference ValuesGlucoseImaging, Three-DimensionalFrontal LobeImage Interpretation, Computer-AssistedSpectrometry, Mass, Fast Atom BombardmentImage EnhancementLiverRecombinant ProteinsMyocardiumGlycolysisOligosaccharidesFourier Analysis
Journal of Magnetic ResonanceNuclearSpectraDipolarCorrelationHomonuclearExperimentsShiftElucidationStructural BiologyDetectionChemistryTransitionMethodsRelaxationFieldStudyDisplayApplicationsQuadrupolar NucleiCouplingsDiffractionCarbonsProtonCharacterizationStructureProteinTechniquesDevelopmentHighlyHigh-resolutionPresence
Journal of Magnetic Resonance3
Nuclear9
  • With the development and optimization of non-invasive techniques, such as nuclear magnetic resonance spectroscopy (MRS), several groups have worked on assessing cerebral metabolism in vivo . (frontiersin.org)
  • MRI is based upon the science of nuclear magnetic resonance (NMR). (alchetron.com)
  • Pulses of radio waves excite the nuclear spin energy transition, and magnetic field gradients localize the signal in space. (alchetron.com)
  • The present doctoral thesis is framed within the Nuclear Magnetic Resonance (NMR) spectroscopy field, more specifically in the design of modern NMR methodologies. (uab.cat)
  • was honoured at the 56th Experimental Nuclear Magnetic Resonance Conference (ENC) with the Ritchey Travel Award for her Ph.D. Thesis research on "Development and application of modern pure shift NMR techniques and improved HSQC/HSQMBC experiments" . (uab.cat)
  • Despite wide-spread use of Nuclear Magnetic Resonance (NMR) in metabolomics for the analysis of biological samples there is a lack of graphically driven, publicly available software to process large one and two-dimensional NMR data sets for statistical analysis. (biomedcentral.com)
  • Two proteins putatively involved in the persistence of Mycobacterium tuberculosis infection have been investigated by heteronuclear nuclear magnetic resonance (NMR) spectroscopy and other methods. (ndltd.org)
  • He has recently contributed with a chapter in the Encyclopedia of Nuclear Magnetic Resonance related with molecular sieves [22]. (ua.pt)
  • A nuclear magnetic resonance method is presented which produces linear, isotropic proton-detected local-field spectra for INS spin systems in powdered samples. (berkeley.edu)
Spectra4
  • He has developed, in collaboration with ACD/Labs, and Bruker, unsymmetrical indirect covariance NMR spectroscopy, exploring the calculation of hyphenated heteronuclear 2D correlation spectra. (wikipedia.org)
  • The enhanced spectral resolution obtained from modern 2D HOBS experiments incorporating spectral aliasing in the 13 C indirect dimension enables the distinction of similar compounds exhibiting near-identical 1 H and 13 C NMR spectra. (uab.cat)
  • The resulting highly resolved 1 H NMR spectra display resonances as collapsed singlets, therefore minimizing signal overlap and expediting spectral analysis. (uab.cat)
  • NMR spectra of recombinant sigJ recovered from inclusion bodies and in the soluble fraction differed, though both forms yielded dispersed resonances consistent with the protein containing a globular component. (ndltd.org)
Dipolar2
  • The method, heteronuclear isotropic evolution (HETIE), refocuses the anisotropic portion of the heteronuclear dipolar coupling frequencies by evolving the system under a series of specially designed Hamiltonians and evolution pathways. (berkeley.edu)
  • Porat-Dahlerbruch G, Struppe J, Quinn CM, Gronenborn AM, Polenova T. 19F fast MAS (60-111 kHz) dipolar and scalar based correlation spectroscopy of organic molecules and pharmaceutical formulations . (pitt.edu)
Correlation2
  • He developed new methods for the acquisition of submicromole and sub-nanomole NMR data for molecular structure characterization, especially work involving inverse-detected heteronuclear shift correlation techniques. (wikipedia.org)
  • He also collaborated on the development of a new generation of sub-micro inverse detection probes with Nalorac Cryogenics Corporation designed to allow heteronuclear shift correlation experiments to be performed at levels down to 0.01 µmole for small molecules. (wikipedia.org)
Homonuclear1
  • 1D and 2D heteronuclear and homonuclear high-resolution 1H Lee-Goldburg based CRAMPS NMR techniques in solids (e.g. (ua.pt)
Experiments3
  • 2013. Accurate determination of one-bond heteronuclear coupling constants with “pure shift†broadband proton-decoupled CLIP/CLAP-HSQC experiments . (manchester.ac.uk)
  • The research work carried out is focused on the design and application of new and modern NMR methodologies (i) to perform efficient broadband 1 H homodecoupling in 1D/2D NMR experiments and (ii) to accurately determine homo- and heteronuclear coupling constants in isotropic and anisotropic conditions through improved HSQC and HSQMBC-type experiments. (uab.cat)
  • Triple resonance NMR experiments recorded using 2H, 13C, 15N -labelled C60S yielded assignments for the majority of the backbone resonances. (ndltd.org)
Shift2
  • Working across more than just spectroscopy, Krish has also led a microimaging team and developed an in-vivo osteoarthritis biomarker method based on the use of residual chemical shift anisotropy of H 2 O in cartilage and time domain data processing. (smashnmr.org)
  • This review aims at presenting the most recent advances in pure shift NMR spectroscopy, with a particular emphasis to the Zangger-Sterk experiment. (uab.cat)
Elucidation3
  • He conducted preliminary investigations into the utilization of indirect covariance NMR spectroscopy as an alternative means of evaluating NMR data for structure characterization and Computer-Assisted Structure Elucidation. (wikipedia.org)
  • In 2007 we initiated in Aveiro (with F. Taulelle) the international event 'SMARTER - Structure elucidation by coMbining mAgnetic Resonance, compuTation modEling and diffRactions', bridging scientific communities. (ua.pt)
  • CO2) and catalytic properties [19] and, very recently, in ii) structural elucidation of biosolids (e.g., biomacromolecules) and iii) combining high-resolution solid-state NMR at high magnetic fields, X-ray diffraction and computational approaches to study packing interactions (e.g., weak CH∙∙∙X and CH∙∙∙p / strong hydrogen bonds and p∙∙∙p interactions) on pharmaceutical hydrates/anhydrates systems [18]. (ua.pt)
Structural Biology1
  • Experimental methods of multi-dimensional NMR spectroscopy, dynamics and theoretical description of spin system evolution, multiple resonance NMR technique for structural studies of proteins and nucleic acids by NMR spectroscopy, contemporary methods of structural biology, studies of complex biomolecular systems. (muni.cz)
Detection3
  • During his time at Merck he has continued to explore the limits of detection for low level samples by heteronuclear 2D NMR using newly developed 1.7 mm Micro CryoProbe™ technology. (wikipedia.org)
  • 1 H-[ 13 C] MRS, i.e., indirect detection of signals from 13 C-coupled 1 H, together with infusion of 13 C-enriched glucose has provided insights into the coupling between neurotransmission and glucose oxidation. (frontiersin.org)
  • Currently, the improvement of detection modalities (i.e., direct detection of 13 C isotopomers), the progress in building adequate mathematical models along with the increase in magnetic field strength now available render possible detailed compartmentalized metabolic flux characterization. (frontiersin.org)
Chemistry3
  • Gary Martin is an American chemist and expert in the fields of both NMR spectroscopy and medicinal chemistry. (wikipedia.org)
  • Magnetic Resonance in Chemistry. (manchester.ac.uk)
  • James has been awarded the Royal Society of Chemistry Meldola Medal, the University of Cambridge Pilkington Teaching Prize, and the Royal Society of Chemistry Silver Medal for contributions in Magnetic Resonance. (smashnmr.org)
Transition1
  • From 1988 to 1995 we have pioneered the development and application of certain techniques for the study of quadrupolar nuclei, such as 2H exchange spectroscopy, quadrupole nutation and double rotation, and satellite transition spectroscopy [1-3]. (ua.pt)
Methods3
  • He has also explored the use of unsymmetrical indirect covariance NMR processing methods to define 13C-15N and 13C-13C heteronuclear connectivity networks. (wikipedia.org)
  • His ongoing research interests have centered on the development of new NMR methods for the characterization of impurities and degradants of pharmaceuticals focusing on the exploration of new NMR probe technologies for the characterization of extremely small samples using heteronuclear 2D-NMR methods. (wikipedia.org)
  • Although both the hydrophobic aliphatic chain and hydrophilic ζ -amino group of the Lys side chain presumably contribute to the structures and functions of proteins, the dual nature of the Lys residue has not been fully investigated using NMR spectroscopy, due to the lack of appropriate methods to acquire comprehensive information on its long consecutive methylene chain. (copernicus.org)
Relaxation2
  • Spectral density mapping at multiple magnetic fields suitable for C-13 NMR relaxation studies. (muni.cz)
  • All these points are relaxation of the water 1H or 2H resonance. (lu.se)
Field4
  • His passion for NMR spectroscopy was kindled during his tenure as the NMR research assistant at Kent and he decided to pursue his research career in that field. (smashnmr.org)
  • MRI scanners use strong magnetic fields , radio waves , and field gradients to generate images of the inside of the body. (alchetron.com)
  • Certain atomic nuclei can absorb and emit radio frequency energy when placed in an external magnetic field . (alchetron.com)
  • Impact of nucleic acid self-alignment in a strong magnetic field on the interpretation of indirect spin-spin interactions. (muni.cz)
Study1
Display1
  • Multidimensional heteronuclear NMR spectroscopy was applied to recombinant wild-type (Wt) and Cys60→Ser (C60S) TPx, both of which are clearly folded but display slightly different spectral characteristics. (ndltd.org)
Applications1
  • He led the development of applications of unsymmetrical indirect covariance NMR, initially in an effort to eliminate artifacts and subsequently in the investigation of the mathematical combination of discretely-acquired 2D NMR data. (wikipedia.org)
Quadrupolar Nuclei2
  • Observation of Low-γ Quadrupolar Nuclei by Surface-Enhanced NMR Spectroscopy. (univ-lille.fr)
  • From 1988 to 1995 we have pioneered the development and application of certain techniques for the study of quadrupolar nuclei, such as 2H exchange spectroscopy, quadrupole nutation and double rotation, and satellite transition spectroscopy [1-3]. (ua.pt)
Couplings1
  • Long-range couplings to 1 H are sufficient to allow indirect observation of rhodium using heteronuclear correlation (fig. 2). (huji.ac.il)
Diffraction1
  • CO2) and catalytic properties [19] and, very recently, in ii) structural elucidation of biosolids (e.g., biomacromolecules) and iii) combining high-resolution solid-state NMR at high magnetic fields, X-ray diffraction and computational approaches to study packing interactions (e.g., weak CH∙∙∙X and CH∙∙∙p / strong hydrogen bonds and p∙∙∙p interactions) on pharmaceutical hydrates/anhydrates systems [18]. (ua.pt)
Carbons1
  • We examined the effects of sequential immortalization and H-Ras V12 -transformation of human bronchial epithelial cells on the anabolic fate of fully-labeled 13 C-glucose-derived carbons using two-dimensional total correlated spectroscopic analysis-nuclear magnetic resonance spectroscopy (2D TOCSY-NMR). (biomedcentral.com)
Proton1
  • The purpose of this chapter is to provide practical guidance in the clinical application of proton MR spectroscopy (MRS) of the brain. (radiologykey.com)
Characterization1
  • His ongoing research interests have centered on the development of new NMR methods for the characterization of impurities and degradants of pharmaceuticals focusing on the exploration of new NMR probe technologies for the characterization of extremely small samples using heteronuclear 2D-NMR methods. (wikipedia.org)
Structure1
  • Using multidimensional heteronuclear edited and filtered NMR spectroscopy, we have solved the solution structure of a complex between hTRX and a 13-residue peptide comprising residues 59-71 of Ref-1. (nih.gov)
Protein1
  • This activity may be direct or indirect via another redox protein known as Ref-1. (nih.gov)
Techniques1
  • 1D and 2D heteronuclear and homonuclear high-resolution 1H Lee-Goldburg based CRAMPS NMR techniques in solids (e.g. (ua.pt)
Development1
  • He led the development of applications of unsymmetrical indirect covariance NMR, initially in an effort to eliminate artifacts and subsequently in the investigation of the mathematical combination of discretely-acquired 2D NMR data. (wikipedia.org)
Highly1
  • As system, we use a highly magnetic atomic species, erbium (Er), which belongs to the family of lanthanides. (uibk.ac.at)
High-resolution1
  • In the most fundamental version, the AvanceCore provides high-resolution 1 H NMR spectroscopy. (bruker.com)
Presence1
  • An example of the former would be the presence of a prominent lactate resonance in the case inborn errors of metabolism, and an example of the latter would be the high increase in the choline resonance in a high-grade glioma. (radiologykey.com)