Theoretical studies on the conformation of peptides in solution I. Conformation of N-acetyl glycine N-methyl amide in solution
β Scribed by Robert Rein; V. Renugopalakrishnan; S. Nir; T. J. Swissler
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 395 KB
- Volume
- 9
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
High-resolution nuclear magnetic resonance spectra at 100 MHz have been obtained on poly-iV-methyl-L-alanine in the chloroform-trifluoroacetic acid system under various conditions of solvent composition. Different spectra are observed for the CH,-C,, C,-H, and N-CHI protons. On the basis of conforma
The N-oxide group of the cellulose solvent N-methylmorpholine-N-oxide showed a strong preference for the axial position compared with N-methyl as determined by NMR experiments and computational studies. In solvents with negligible solvent -solute interaction, about 95% of the NMMO molecules obtained
Using ab initio theoretical approaches, we investigated the relative stability of two of the possible isomers of N-phenylbenzohydroxamic acid, PhCONOHPh. In particular, within the framework of density functional theory (DFT), we studied the cis and trans conformational isomers of PhCONOHPh, both in
The 'H-nmr studies were extensively carried out to elucidate preferred conformations of dipeptides CH,C\*O-X-NHCH,, with X = Abu, oval, and Val in various solvents. The vicinal 'H--'H coupling constants for the NH-CnH moiety and those around the C"-Cp bond in the articulated side chain provided the
## Abstract The aminolysis and the effect of water on the aminolysis processes of __n__βmethyl __Ξ²__βsultam have been studied using density functional theory (DFT) method at the B3LYP/6β31G\* level. The stationary structures and energies have been investigated for both reactions to find two differe