Noncovalent interactions and solid-state NMR
Noncovalent Interactions in Peri Substituted Chalconium Acenaphthene and Naphthalene Salts: A Combined Experimental, Crystallographic, Computational, and Solid State NMR Study
... As might be expected, compounds accommodating heavier congeners in the proximal peri-positions, generally exhibit great- er steric strain leading to increased molecular distortion of the rigid organic framework and ...
13
Intermolecular interactions and protein dynamics by solid state NMR spectroscopy
... In summary, we have presented a comparison of site- specific backbone dynamics spanning over nine orders of magnitude in time scale for the protein GB1 in two different environments: a crystalline form and the ...
7
Investigating interactions using solid state NMR: applications to biomolecular complexes
... dependent and the intensity of the cross-peaks in NOESY spectra will be proportional to the distance between two protons. To obtain distance restraints from NOE spectra in solution NMR the chemical shifts of the ...
183
Protein-protein interactions in oligomers studied by solid-state NMR in biomembranes
... Furthermore, Gln17 was studied with 19 F-labled Gln analogues. With these five 19 F-labeled E5 analogous, CPMG and CODEX experiments were performed to evaluate possible intermolecular contacts. Although CPMG experiments ...
138
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] ...
28
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 ...
44
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 ...
148
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 ...
15
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 ...
15
Solid-state NMR studies of the interactions between cationic membrane peptides and lipid bilayers
... correlation NMR is a sensitive technique for determining the orientation and restraining the secondary structure of β-sheet and β-hairpin peptides in lipid ...
179
Probing intermolecular interactions and three dimensional packing of organic molecules by solid state NMR
... high-resolution solid-state NMR spectra (under Magic Angle Spinning) such that key structural information can be determined for crystalline powder sam- ...the NMR signal are described, notably ...
228
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 ...
86
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 ...
7
Supramolecular interactions in the solid state
... Free energy differences between polymorphs of molecular compounds are usually quite small and have different temperature dependences. A metastable crystal form can persist for a long time, or it can undergo ...
16
Molecular architecture of softwood revealed by solid state NMR
... molecular interactions between cell wall components in ...components. Solid-state NMR pro- vides precise conformational, chemical and proximity information and so can address this gap in our ...
11
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 ...GPCRs/ligand ...
14
Solid-state NMR of Complex Nano- and Microcrystalline Materials
... ix Andrew Namespetra, to whom I am also indebted) laid a lot of the groundwork for my pharmaceutical studies. Thank you to those who trained me on the spectrometer and in the theory of NMR. Dr. Bryan Lucier, who ...
379
Solid-State NMR of Quadrupolar Nuclei for Structural Elucidation
... of NMR. Since the initial discovery of NMR, intense research, coupled with advances in hardware and software, has made this a ubiquitous technique for the solution-state, molecular-level structural ...
230
Characterization of Inorganic Catalysts and Materials by Solid-State NMR
... of a half, i.e. (I + ½) !1 . The QCPMG pulse sequence of the form {π/2 - [τ - π - τ - acquire] N } was used for the acquisition of 35 Cl NMR spectra. 56 The number of refocusing π pulses varied from 20 to 162 ...
447
Multinuclear solid state NMR for the characterisation of inorganic materials
... of interactions that provide information, in the solid state spectra result that are broadened, often over many 10s or 100s of ...on NMR parameters for many inorganic materials available in ...
401