Line narrowing in H-1 NMR of powdered organic solids with TOP-CT-MAS experiments at ultra-fast MAS
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A method for nuclear magnetic resonance (NMR) spectroscopy of a sample comprises preparation of the sample and carrying out an NMR spectroscopy measurement. Preparation includes excitation of long lived coherences (LLC) between the singlet state S0 and the ...
Using a density-functional framework, we investigate the vibrational spectra of vitreous SiO2 to determine to what extent these spectra provide information about the medium-range structure of the oxide network. We carry out a comparative study involving th ...
Questions such as biomolecular interactions, kinetics of enzymes, DNA conformational changes, cellular structures properties (among others) are addressed by characterizing the biological function of molecules. This function depends on their structure and t ...
The function of biologically active molecules depends both on their structure and on their conformational dynamics. In solution, intramolecular interaction with the solvent will influence different biological processes, i.e. protein folding. However second ...
The different parts of the electromagnetic spectrum result in diverse effects upon interaction with matter: according to the wavelength, the radiation has energy appropriate for the excitation of a specific physical process. X-rays can be used as a tool to ...
Accurate assessment of the macromolecule contributions in short echo-time proton MRS spectra is important for a reliable quantification of the neurochemical profile. The aim of the present study was to assess two approaches based on using LCModel, which ta ...
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Proton magnetic resonance spectroscopy (1H-MRS) has been used in a number of studies to noninvasively assess the temporal changes of lactate in the activated human brain. However, the results have not been consistent. The aim of the present study was to te ...
We determine the fraction f of B atoms belonging to boroxol rings in vitreous boron oxide through a first-principles analysis. After generating a model structure of vitreous B2O3 by first-principles molecular dynamics, we address a large set of properties, ...
Plasma created during EDM is systematically investigated with optical emission spectroscopy. Typical spectra show a strong H,,, and continuum radiation, with many lines emitted by impurities coming from electrode and workpiece materials. The dielectric mol ...
Nuclear magnetic resonance (NMR) experiments are usually carried out in homogeneous magnetic fields. In many cases, however, high-resolution spectra are virtually impossible to obtain because of the inherent heterogeneity of the samples or living organisms ...