Solid State NMR Measurements
Solid state NMR measurements and DFT calculations of the magnetic shielding tensors of protons of water trapped in barium chlorate monohydrate
... investigate and interpret this nding in terms of types of motion of water molecules in Ba(ClO 3 ) 2 $H 2 O. Conclusions The chemical shi tensors of the protons of isolated water mole- cules trapped in barium chlorate ...
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Unraveling the complexity of protein backbone dynamics with combined 13C and 15N solid state NMR relaxation measurements
... the solid state, relatively large changes in bond lengths of CSA have minimal effects on the results of model free analysis of relaxation ...the solid state in a presence of slow motions small ...
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Characterization of Inorganic Catalysts and Materials by Solid-State NMR
... The static spectra of complex 2 reveals κ = !0.6, which is similar to Cp 2 ZrCl 2 and 1, but Ω = 550 ppm, which is significantly larger than those of the chlorinated complexes. It is worth noting that the simulations of ...
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Diffraction and Solid State NMR Studies of Inorganic Framework Materials.
... 14 relatively stiff polyhedra which leads to the overall decrease in volume. RUM calculations performed by Pryde et al 18-20 . quantified this and proved that low energy transverse vibrations are present and confirmed ...
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Intermolecular interactions and protein dynamics by solid state NMR spectroscopy
... 1 measurements under the same experimental conditions highlighted general similarities of fast picosecond–nanosecond dynamics in both environments only minimally perturbed by strong intermo- lecular ...
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Dynamic Nuclear Polarization Solid-State NMR in Heterogeneous Catalysis Research
... abundance measurements is that the 3-spin recoupling e ff ects and dipolar truncation are essentially absent, and carbon − carbon distances may be straightforwardly measured by assuming isolated spin ...
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Computing of 93Nb NMR Parameters of Solid-State Niobates. The Geometry Matters
... The combination of several interactions often makes complex solid-state NMR spectra and it is frequently difficult to extract all the information from these measurements. First-principles ...
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The development of solid state NMR methodology to study the dynamics of proteins and ice
... It was previously demonstrated that the 13 C α R 1 for [U- 13 C, 15 N] and [2- 13 C] labelled alanine were different at 16.1 kHz MAS, but not significantly different at 60 kHz. 70 It was thus suggested that spin ...
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Methods for the determination of the structures and dynamics of proteins by solid state NMR spectroscopy
... — 116 — preparation 149 , primarily 1 H, 2 H, 13 C and 15 N studies can be contemplated, and of these the latter three are regularly used to probe protein motions. For reasons that will be discussed, 1 H relaxation ...
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Water in the Earth's mantle : a solid state NMR study of hydrous wadsleyite
... H solid-state NMR offers a direct insight into the local environment of the hydrogen atoms in the structure of hydrous ...MAS NMR spectrum of wads-H is shown in ...other measurements of ...
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Recent developments in solid state NMR spectroscopy of crystalline microporous materials
... predicted NMR parameters and those observed ...and NMR spectroscopy that is often referred to as NMR crystallography, as described previously, in many cases additional insight can be gained by using ...
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Techniques of solid-state NMR
... Sanchez 'Surface and bulk characterisation of titanium oxo clusters and nanosized titania particles through 17O solid state NMR.' J. All transitions exhibit second order effects[r] ...
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Bio-Solid State NMR
... In solids: anisotropic contributions (<3cos 2 q-1> dependence); q is angle between the angle of the tensor element with respect to the applied field, B o. For large (M r » 30k) and slowly tumbling molecules (t r > ~10's ...
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Solid-State NMR of CO2 Mineralization and NMR Crystallography
... xv cussed the research with me. I also really appreciate the help of Dr. Erika Sesti. She is smart and built the NMR probe for the study. Dr. Chia-Hsin Chen is a nice friend and resource for discus- sion about the ...
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Seminar. Solid-state NMR Spectroscopy
... For liquids in which the molecules are mov- ing rapidly, the term 1 − 3cos 2 (θ) must be integraded over a sphere, as all angles θ are sampled. This integration produces the result that the dipole-dipole interaction is ...
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Prediction of NMR parameters in the solid-state
... Since, in an all electron calculation, the valence elec- tron wavefunctions must be orthogonal to the core wave- functions they necessarily have strong oscillations in the region near the nucleus (see the all electron ...
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Continuous Wave NMR Imaging in the Solid State
... the NMR spectrometer frequency was swept such that the sensitive slice moved through the sample, have been carried out on sufficiently thin samples 28 ...the NMR- MOUSE, a portable magnet and spectrometer ...
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Biological Membrane Structure By Solid-State NMR
... particularly solid-state NMR spectroscopy, is a method of choice to study the structure and dynamics of both the lipid and the protein components of model and biological ...C ...
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Molecular architecture of softwood revealed by solid state NMR
... components. Solid-state NMR pro- vides precise conformational, chemical and proximity information and so can address this gap in our understanding of cell wall assembly by providing sub-nanometre ...
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Solution- and solid-state NMR studies of GPCRs and their ligands
... and solid-state NMR approaches have been developed and have provided new insights, particularly focussing on the study of protein-ligand interactions which are vital for drug ...for NMR ...
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