NMR properties of hydrogen-bonded glycine cluster in gas phase
Keywords: تغییر شیمیایی; Hydrogen bond; Glycine cluster; Magnetic shielding; Chemical shift; Density functional theory
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Effect of multiple and adjacent cage occupancies on host-guest interaction and NMR chemical shifts in gas hydrates
Keywords: تغییر شیمیایی; Gas hydrates; Chemical shift; Cage occupancy; Density functional;
Ultra broadband NMR spectroscopy using multiple rotating frame technique
Keywords: تغییر شیمیایی; Broadband excitation; Broadband inversion; Chemical shift; Multiple rotating frames;
Linear relationship between the 1H-chemical shift of water in a highly concentrated aqueous solution of an ionic liquid and the Jones-Dole B coefficient
Keywords: تغییر شیمیایی; NMR; Chemical shift; Water; Ionic liquid; Viscosity B-coefficient;
Evidence of dynamical local scale distribution heterogeneities in CsF-AF (AÂ =Â Li, Na, K and Rb) molten salts
Keywords: تغییر شیمیایی; Molten alkali fluoride; Molten salt; High temperature NMR; Chemical shift;
Absolute value of the nuclear magnetic shielding of silicon and germanium atoms in Si/Ge(CH3)4
Keywords: تغییر شیمیایی; Reference value; Chemical shift; Polarization propagators; NMR;
DFT application in conformational determination of cellobiose
Keywords: تغییر شیمیایی; Cellobiose; Chemical shift; DFT; Potential energy surface; Dihedral angle;
α,β-Unsaturated aldehyde of hyaluronan-Synthesis, analysis and applications
Keywords: تغییر شیمیایی; 3T3; standard fibroblast cell line; COSY; correlation spectroscopy; DMAP; 4-dimethylaminopyridine; DOSY; diffusion ordered spectroscopy; DS; degree of substitution; FTIR; Fourier transform infrared spectroscopy; HA; hyaluronan; h; hour; HSQC; heteronuclea
Application of data mining tools for classification of protein structural class from residue based averaged NMR chemical shifts
Keywords: تغییر شیمیایی; Protein structural class; NMR; Chemical shift; Data mining;
MRI with and without a high-density EEG cap-what makes the difference?
Keywords: تغییر شیمیایی; Simultaneous EEG-fMRI; Electroencephalography; Functional and structural magnetic resonance imaging; MRI artifacts; Magnetic susceptibility; Eddy currents; Chemical shift; SNR; Distorted B0 and B1 map;
NMR characterization of cellulose acetate: Chemical shift assignments, substituent effects, and chemical shift additivity
Keywords: تغییر شیمیایی; Cellulose acetate; Chemical shift; Substituent effect; Substituent distribution1D, one-dimensional; 2D, two-dimensional; AGU, anhydroglucose unit; BBO, broadband observe; CA, cellulose acetate; CDCl3, chloroform-d; COSY, correlation spectroscopy; DMAP, N,
REDOR solid-state NMR as a probe of the membrane locations of membrane-associated peptides and proteins
Keywords: تغییر شیمیایی; δ; chemical shift; γ; buildup rate; Ï; REDOR dephasing time; A; buildup extent; Chol; cholesterol; Chol_d6; cholesterol-2,2,3,4,4,6-d6; Chol_d7; cholesterol-25,26,26,26,27,27,27-d7; CP; cross-polarization; d; dipolar coupling; Fmoc; 9-fluorenylmethoxyc
Ethylidene-4,6-dimethoxycoumaran-3-one: the C2C8 double bond configuration
Keywords: تغییر شیمیایی; E/Z configuration; Stereoisomerism; Coumaranes; NMR; Scalar coupling; Chemical shift;
Chemical effects correlated to nitrogen content of iron nitride films observed in the Fe L-shell X-rays induced by 5-keV electrons
Keywords: تغییر شیمیایی; Chemical shift; Chemical effect; WDS; Iron nitride; Fe L-shell X-rays
Molecular single photon double K-shell ionization
Keywords: تغییر شیمیایی; Double K-shell ionization; Coincidence electron spectroscopy; Auger spectroscopy; Chemical shift;
Unification of the point charge electrostatic model with the chemical shift model for lanthanide 5d states
Keywords: تغییر شیمیایی; Lanthanides; Chemical shift; 5d; Crystal field splitting; Point charge electrostatic model;
Role of scandium atom in ScxY3−xN@C80(CF3)n (n = 0, 2) on nuclear quadrupole interaction, electric field gradient and asymmetric parameters
Keywords: تغییر شیمیایی; Endohedral metallofullerene; NMR spectroscopy; Electronic spin resonance; Density function theory; Chemical shift
Vacuum energy referred Ti3+/4+ donor/acceptor states in insulating and semiconducting inorganic compounds
Keywords: تغییر شیمیایی; Ti4+; Chemical shift; Internal reference rule; Defect structure;
Kinetics and activation parameters of the reaction of organoarsenic(V) compounds with glutathione
Keywords: تغییر شیمیایی; GSH; glutathione; PAA; phenylarsonic acid; HNPAA; 4-hydroxy-3-nitrophenylarsonic acid; p-APAA; p-aminophenylarsonic acid; o-APAA; o-aminophenylarsonic acid; MMAA; monomethylarsonic acid; DMAA; dimethylarsinic acid; GSSG; glutathione disulfide; pH*; deuter
Vibrational spectroscopic studies on 2â²-3â²-didehydro-2â²-3â²-dideoxythymidine using density functional theory method
Keywords: تغییر شیمیایی; d4T; TGA; Vibrational spectra; DFT; Chemical shift;
Temperature-dependent 29Si NMR resonance shifts in lightly- and heavily-doped Si:P
Keywords: تغییر شیمیایی; 29Si MAS-NMR; Silicon; Semiconductor; Dopant; Metal-nonmetal; Chemical shift; Knight shift; Temperature dependence;
Assessment of historic Tilia codrata wood by solid-state 13C CPMAS NMR spectroscopy
Keywords: تغییر شیمیایی; Historic wood; Structural and chemical modifications; Solid-state 13C CPMAS NMR spectroscopy; Chemical shift;
Site-specific chemical states of adsorbed CO on Pt(997): A high resolution XPS study
Keywords: تغییر شیمیایی; CO; Adsorption; Pt(997) step surface; HR-XPS; Chemical shift;
Predicting acidic and alkaline enzymes by incorporating the average chemical shift and gene ontology informations into the general form of Chou's PseAAC
Keywords: تغییر شیمیایی; Jackknife validation; Reduced amino acids alphabet; Evolutionary information; Auto covariance; Chemical shift;
1H NMR study of water/methanol solutions as a function of temperature and concentration
Keywords: تغییر شیمیایی; Water-methanol mixture; 1H NMR; Self-diffusion; Chemical shift;
A 1H and 27Al NMR investigation of yttrium(III) and europium(III) interaction with kaolinite
Keywords: تغییر شیمیایی; Solid-state NMR; Sorption; Trivalent metal; Kaolinite; Surface hydroxyl; Chemical shift;
Performance of ONIOM in the investigations of tri-n-butyltin compounds
Keywords: تغییر شیمیایی; Organotin compounds; Tributyltin chloride; Tributylmethyltin; ONIOM; Chemical shift;
Lanthanide 4f-electron binding energies and the nephelauxetic effect in wide band gap compounds
Keywords: تغییر شیمیایی; Nephelauxetic effect; 4f-electron binding energy; Chemical shift; Centroid shift; Coulomb correlation energy;
Silicon-doping makes the B12N12 insulator to an n or p-semiconductor
Keywords: تغییر شیمیایی; Boron nitride fullerene; Semiconductor; Silicon; Chemical shift;
Relative K X-ray energy shifts in Fe, Cu and Zn metals and their compounds with EDXRF set-up
Keywords: تغییر شیمیایی; EDXRF; Energy Dispersive X-Ray Fluorescence; XRF; X-Ray Fluorescence; MCA; Multi-Channel Analyzer; Chemical shift; Energy Dispersive X-ray Fluorescence (EDXRF); Statistical data processing; Statistical errors; Non-statistical errors;
Multiple single-point imaging (mSPI) as a tool for capturing and characterizing MR signals and repetitive signal disturbances with high temporal resolution: The MRI scanner as a high-speed camera
Keywords: تغییر شیمیایی; Single-point imaging; Constant time imaging; Purely phase encoded imaging; Spectroscopic imaging; Artifacts; Field inhomogeneity; Geometric distortion; Magnetic susceptibility; Chemical shift;
Influence of chemical substitution in ScxY3−xN@C80(CF3)n endohedral fullerenes on magnetic properties
Keywords: تغییر شیمیایی; Metallofullerene; Electron structure; Density function theory; Nuclear magnetic resonance; Chemical shift; UV–visible–near-infrared spectroscopy
On the utility of spectroscopic imaging as a tool for generating geometrically accurate MR images and parameter maps in the presence of field inhomogeneities and chemical shift effects
Keywords: تغییر شیمیایی; Spectroscopic imaging; Field inhomogeneity; Geometric distortion; Magnetic susceptibility; Chemical shift; Interventional MRI; Quality assurance
Proton Magnetic Resonance Spectroscopy
Keywords: تغییر شیمیایی; Chemical shift; Localization; Metabolite; Spectral dispersion; Shimming; Suppression;
Surface adsorption and mixed micelle formation of surface active ionic liquid in cationic surfactants: Conductivity, surface tension, fluorescence and NMR studies
Keywords: تغییر شیمیایی; Ionic liquid; Surface tension; Aggregation number; Chemical shift; Mixed micelles; Packing parameter
Hepatic lipomas and steatosis: An association beyond chance
Keywords: تغییر شیمیایی; Lipomas; Steatosis; Insuline resistance; MR; Chemical shift;
Chemical shift and intensity ratio values of dyspersium, holmium and erbium L X-ray emission lines
Keywords: تغییر شیمیایی; Line position; Line width; Chemical shift; Chemical environment changes; Intensity ratio; XRF
Full differentiation and assignment of boron species in the electrolytes Li2B6O9F2 and Li2B3O4F3 by solid-state 11B NMR spectroscopy
Keywords: تغییر شیمیایی; Fluorooxoborates; Solid-state 11B NMR; Chemical shift; Quadrupolar coupling; 19F spin decoupling
Origin and correction of magnetic field inhomogeneity at the interface in biphasic NMR samples
Keywords: تغییر شیمیایی; NMR; MAS; Magic angle spinning; Susceptibility; Biphasic; Shimming; Demagnetization field; Octanol; Bulk magnetism; Chemical shift;
Correction of chemical shift misregistration by images from two different bandwidths
Keywords: تغییر شیمیایی; Chemical shift; Misregistration; Readout gradient; Bandwidth;
Sample preparation method to minimize chemical shift variability for NMR-based urinary metabonomics of genetically hypertensive rats
Keywords: تغییر شیمیایی; Metabonomics; Urine; pH; Chemical shift; NMR
The C-terminal domain of human Rev1 contains independent binding sites for DNA polymerase η and Rev7 subunit of polymerase ζ
Keywords: تغییر شیمیایی; TLS; translesion synthesis; Rev1-CT; C-terminal domain of Rev1; RIR; Rev1 interacting region; NMR; nuclear magnetic resonance; TROSY; transverse relaxation optimized spectroscopy; ITC; isothermal titration calorimetry; aa; amino acid; DNA damage tolerance
Utility of chemical shift and diffusion-weighted imaging in characterization of hyperattenuating adrenal lesions at 3.0T
Keywords: تغییر شیمیایی; Magnetic resonance imaging; Diffusion weighted imaging; Adrenal gland neoplasms; Chemical shift;
Robustness of fat quantification using chemical shift imaging
Keywords: تغییر شیمیایی; Water–fat separation; IDEAL; Chemical shift; Robustness
Spectral and hydrodynamic studies on p-toluidine induced growth in cationic micelle
Keywords: تغییر شیمیایی; p-Toluidine; Micelle; 1H NMR; Chemical shift; NOESY;
Emulsion droplet sizing using low-field NMR with chemical shift resolution and the block gradient pulse method
Keywords: تغییر شیمیایی; Emulsions; PFG; Micro-coils; Chemical shift; Bench-top spectrometer;
Allosteric coextraction of sodium and metal ions with calix[4]arene derivatives 2: First numerical evaluation for the allosteric effect on alkali metal extraction with crossed carboxylic acid type calix[4]arenes
Keywords: تغییر شیمیایی; Calix[4]arene carboxylic acid; Alkali metal ions; Extraction equilibrium constants; Allosteric effect; Chemical shift;
DFT study of 17O, 1H and 13C NMR chemical shifts in two forms of native cellulose, Iα and Iβ
Keywords: تغییر شیمیایی; Cellulose Iα; Cellulose Iβ; DFT; NMR; Hydrogen bond; Chemical shift
Oxidation state and chemical shift investigation in transition metal oxides by EELS
Keywords: تغییر شیمیایی; Chemical shift; Oxidation state; Transition metal; Electron energy-loss spectroscopy;
Extracting chemical information of free molecules from K-shell double core-hole spectroscopy
Keywords: تغییر شیمیایی; Double core-hole spectroscopy; K-shell; DFT; Chemical shift;