Search results for "nmr spectroscopy"

showing 10 items of 119 documents

Fusion of the

2015

Chronic obstructive pulmonary disease, COPD, affects the condition of the entire human organism and causes multiple comorbidities. Pathological lung changes lead to quantitative changes in the composition of the metabolites in different body fluids. The obstructive sleep apnea syndrome, OSAS, occurs in conjunction with chronic obstructive pulmonary disease in about 10–20 % of individuals who have COPD. Both conditions share the same comorbidities and this makes differentiating them difficult. The aim of this study was to investigate whether it is possible to diagnose a patient with either COPD or the OSA syndrome using a set of selected metabolites and to determine whether the metabolites t…

NMR spectroscopyOriginal ArticleChronic obstructive pulmonary disease (COPD)ChemometricsObstructive sleep apnea syndrome (OSAS)Discriminant modelsrespiratory tract diseasesMetabolomics : Official journal of the Metabolomic Society
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State of the art of CPMAS 13C-NMR spectroscopy applied to natural organic matter

2004

A number of different techniques are presently available for characterizing humified natural organic matter (NOM). Carbon-13 nuclear magnetic resonance spectroscopy (13C-NMR) in the solid state using cross-polarization (CP) and magic angle spinning (MAS) represents the most powerful experimental approach used to collect direct information on the structural and conformational characteristics of humic carbon backbones. Despite the problems due to the presence of paramagnetic impurities and the generally low organic matter concentration, cross-polarization magic angle spinning 13C-NMR spectroscopy (CPMAS 13C-NMR) is applied in soil chemistry and geochemistry mainly because of its relevance in …

Nuclear and High Energy PhysicsMaterials scienceChemistryContact timeNatural organic matterNuclear magnetic resonanceCross-polarization magic angle spinningCarbon-13Settore AGR/13 - Chimica AgrariaCarbon-13Analytical chemistrySolid-stateGeneral MedicineBiochemistryNatural organic matterSpectral lineAnalytical Chemistry13c nmr spectroscopyChemical physicsSpin diffusionMagnetization transferSpinningSpectroscopyProgress in Nuclear Magnetic Resonance Spectroscopy
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Zero-field nuclear magnetic resonance spectroscopy of viscous liquids

2014

Abstract We report zero-field NMR measurements of a viscous organic liquid, ethylene glycol. Zero-field spectra were taken showing resolved scalar spin–spin coupling (J-coupling) for ethylene glycol at different temperatures and water contents. Molecular dynamics strongly affects the resonance linewidth, which closely follows viscosity. Quantum chemical calculations have been used to obtain the relative stability and coupling constants of all ethylene glycol conformers. The results show the potential of zero-field NMR as a probe of molecular structure and dynamics in a wide range of environments, including viscous fluids.

Nuclear and High Energy PhysicsZero field NMRzero-field NMRBiophysicsAnalytical chemistryNMR spectroscopy; low field nmr; Density functional calculationsViscous liquidBiochemistrychemistry.chemical_compoundViscosityMolecular dynamicsNMR spectroscopyMoleculePhysics::Chemical Physicsdensity functional theoryCoupling constantlow field nmrtechnology industry and agricultureZero-field NMRNuclear magnetic resonance spectroscopyviscous liquidsCondensed Matter PhysicsScalar couplingDensity functional calculationschemistryChemical physicsDensity functional theoryscalar couplingEthylene glycolViscous liquidsJournal of Magnetic Resonance
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Assignment of1H and13C NMR data for (−)-methyl thyrsiflorin A and some scopadulan precursors

2001

The 1H and 13C NMR spectral analysis of synthetic (−)-methylthyrsiflorin A and 10 scopadulan precursors is reported. Resonance assignments were based on one- and two-dimensional NMR techniques, which included 1H, 13C, DEPT and HMQC and also 1D NOE difference spectroscopy. Copyright © 2001 John Wiley & Sons, Ltd.

Nuclear magnetic resonanceChemistryNMR spectroscopy of stereoisomersProton NMRResonancePhysical chemistryGeneral Materials ScienceGeneral ChemistryFluorine-19 NMRCarbon-13 NMRDEPTSpectroscopyMethyl thyrsiflorin AMagnetic Resonance in Chemistry
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Nuclear charge radii of the even sulphur isotopesS32,S34, andS36and ofP31using muonic atoms

1985

Energies of muonic x rays of the Lyman series of the even sulphur isotopes /sup 32/S, /sup 34/S, and /sup 36/S and of natural phosphorus have been determined with absolute precisions up to 23 parts/10/sup 6/. Equivalent Barrett charge radii R/sub k/,..cap alpha.. have been deduced. Their differences between the sulphur isotopes amount to ..delta..R/sub k/,..cap alpha..( /sup 34/S- /sup 32/ S) = 29.7(1.4) am and ..delta..R/sub k/,..cap alpha..( /sup 36/S- /sup 34/ S) = 18.7(1.5) am. Combining these results with recent elastic electron scattering data, we obtain in a model-independent way ..delta../sup 1/2/( /sup 34/S- /sup 3/ 2S) = 23.1(1.2) am and ..delta../sup 1/2/( /sup 36/S- /sup 3/ 4S) …

Nuclear reactionPhysicsElastic scatteringNuclear and High Energy Physicssymbols.namesakeStable isotope ratioLyman seriessymbolsPhosphorus-31 NMR spectroscopyAtomic physicsPhosphorus IsotopesEffective nuclear chargeSpectral linePhysical Review C
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High-pressure NMR spectroscopy: An in situ tool to study tin-catalyzed synthesis of organic carbonates from carbon dioxide and alcohols. Part 2 [1]

2015

Dialkoxide diorganotin(IV) complexes are known to readily react with carbon dioxide under pressure and they are considered as suitable catalyst precursor models for the direct synthesis of organic carbonates. To gain a better understanding of CO2 insertion processes with Sn-OR bonds, the reactivity of n-Bu2Sn(OCH(CH3)(2))(2) (2) was investigated using high-pressure NMR (HP-NMR) spectroscopy. In deuterated solvents (isopropanol-d(8) and toluene-d(8)) under 50 bar of CO2 pressure at 80 degrees C, Sn-119{H-1} NMR experiments revealed the exclusive formation of an unprecedented tetraorganodistannoxane species, characterized as the bis[diisopropycarbonatotetrabutyldistannoxane] complex, {[n-Bu2S…

Organic carbonatesOrganic ChemistryInorganic chemistrychemistry.chemical_elementNuclear magnetic resonance spectroscopyBiochemistryCatalysisInorganic Chemistrychemistry.chemical_compoundchemistryDeuteriumTetraorganodistannoxaneCarbon dioxidePolymer chemistrySn-119 NMR spectraMaterials ChemistryHigh pressure NMR spectroscopyReactivity (chemistry)Physical and Theoretical ChemistryTinSpectroscopyCarbon dioxide utilizationDiorganotin(IV)Bar (unit)Journal of Organometallic Chemistry
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Lifetime measurements in mirror nuclei31S and31P: A test for isospin mixing

2011

Using the 20Ne + 12C fusion-evaporation reaction at E20Ne = 33 MeV and the multidetector array GASP in conjuction with the EUCLIDES charged particle detector, angular correlations of coincident pairs of γ transitions and lifetimes in mirror nuclei 31S and 31P have been measured at the Piave-Alpi accelerator of the Laboratori Nazionali di Legnaro. A comparison of the determined B(E1) strengths of the analog mirror 7/2− → 5/2+ transitions indicates the presence of a violation of isospin symmetry.

PhysicsHistoryCarbon-12Symmetry (physics)Charged particleComputer Science ApplicationsEducationNuclear physicsIsotopes of neonCoincidentIsospinPhosphorus-31 NMR spectroscopyMirror nucleiAtomic physicsJournal of Physics: Conference Series
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Reevaluation of theP30(p,γ)S31astrophysical reaction rate from a study of theT=1/2mirror nuclei,S31andP31

2006

The $^{30}\mathrm{P}$($p,\ensuremath{\gamma}$)$^{31}\mathrm{S}$ reaction rate is expected to be the principal determinant for the endpoint of nucleosynthesis in classical novae. To date, the reaction rate has only been estimated through Hauser-Feschbach calculations and is unmeasured experimentally. This paper aims to remedy this situation. Excited states in $^{31}\mathrm{S}$ and $^{31}\mathrm{P}$ were populated in the $^{12}\mathrm{C}$($^{20}\mathrm{Ne}$,$n$) and $^{12}\mathrm{C}$($^{20}\mathrm{Ne}$,$p$) reactions, respectively, at a beam energy of 32 MeV, and their resulting $\ensuremath{\gamma}$decay was detected with the Gammasphere array. Around half the relevant proton unbound states …

PhysicsNuclear and High Energy PhysicsProtonNucleosynthesisExcited stateCarbon-12GammaspherePhosphorus-31 NMR spectroscopyMirror nucleiAtomic physicsNuclear ExperimentMirror symmetryPhysical Review C
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Mirror energy differences in theA=31mirror nuclei,S31andP31, and their significance in electromagnetic spin-orbit splitting

2005

Excited states in $^{31}\mathrm{S}$ and $^{31}\mathrm{P}$ were populated in the $^{12}\mathrm{C}$($^{20}\mathrm{Ne}$,n) and $^{12}\mathrm{C}$($^{20}\mathrm{Ne}$,p) reactions, respectively, at a beam energy of 32 MeV. High spin states of positive and negative parity have been observed in $^{31}\mathrm{S}$ for the first time, and the yrast scheme of $^{31}\mathrm{P}$ has been extended. Large mirror energy differences between the first $9/{2}^{\ensuremath{-}}$ and $13/{2}^{\ensuremath{-}}$ states were observed, but only small differences for the first $7/{2}^{\ensuremath{-}}$ and $11/{2}^{\ensuremath{-}}$ levels. The significance of these observations is discussed in relation to the electromag…

PhysicsNuclear and High Energy PhysicsSpin statesYrastExcited stateBinding energyParity (physics)Phosphorus-31 NMR spectroscopyNeutronMirror nucleiAtomic physicsPhysical Review C
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NMR Study of Kraft Pulp Mill Waste and Natural Humic Substances

1988

High field proton NMR spectroscopy in DMSO-d6 solution is applied for structural analysis of main high molecular fractions of natural humus and waste lignin from kraft pulp mill. The spectra are similar in great part. Main differences appear in p-disubstituted benzene proton and -CH2 -CO-proton signals which are absent in spectrum of waste lignin obviously due to chlorination. A new observation of 51 Hz 1:1:1 triplet in both spectra is discussed.

Proton nmr spectroscopychemistry.chemical_compoundchemistryWaste managementKraft processPulp bleachingLigninHigh fieldPulp and paper industryBenzeneHumus
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