منابع مشابه
Proton chemical shifts in NMR: Part 17.† Chemical shifts in alkenes and anisotropic and steric effects of the double bond
The 1H NMR spectra of a number of alkenes of known geometry were recorded in CDCl3 solution and assigned, namely ethylene, propene, 4-methylcyclohexene, 1,4-dimethylcyclohexene, methylene cyclohexane (in CFCl3 –CD2Cl2 at 153 K), 5-methylene-2-norbornene, camphene, bicyclopentadiene, styrene and 9-vinylanthracene. These results together with literature data for other alkenes, i.e. 1,3and 1,4-cyc...
متن کاملProtein backbone and sidechain torsion angles predicted from NMR chemical shifts using artificial neural networks.
A new program, TALOS-N, is introduced for predicting protein backbone torsion angles from NMR chemical shifts. The program relies far more extensively on the use of trained artificial neural networks than its predecessor, TALOS+. Validation on an independent set of proteins indicates that backbone torsion angles can be predicted for a larger, ≥90 % fraction of the residues, with an error rate s...
متن کاملXanes and the Determination of Bond Angles
It is argued that conventional weak scattering probes provide no direct information beyond the radial distribution function. In contrast, X-ray Absorption Near Edge Structure is produced by the multiple scattering of low energy electrons and has sensitivity to bond angles and symmetry of the environment 1. WEAK SCATTERING AND PAIR CORRELATIONS The traditional probe of structure is a wave that i...
متن کاملTALOS+: a hybrid method for predicting protein backbone torsion angles from NMR chemical shifts.
NMR chemical shifts in proteins depend strongly on local structure. The program TALOS establishes an empirical relation between 13C, 15N and 1H chemical shifts and backbone torsion angles phi and psi (Cornilescu et al. J Biomol NMR 13 289-302, 1999). Extension of the original 20-protein database to 200 proteins increased the fraction of residues for which backbone angles could be predicted from...
متن کاملBond order resolved 3d5/2 and valence band chemical shifts of ag surfaces and nanoclusters.
Incorporating the tight-binding theory and the bond order-length-strength (BOLS) correlation into the X-ray photoelectron spectra of Ag(111) and (100) surfaces and the Auger electron spectra of Ag nanoparticles deposited on Al2O3 and CeO2 substrates has led to quantitative information of the 3d5/2 and the valence binding energies of an isolated Ag atom and their shifts upon bulk, defect, surfac...
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ژورنال
عنوان ژورنال: Nature
سال: 1983
ISSN: 0028-0836,1476-4687
DOI: 10.1038/303204a0