Conformational analysis of alanine dipepetide from dipolar couplings in a water-based liquid crystal

Article Abstract:

The proton NMR spectra of unlabeled alanine dipepetide at 300 MHz and of alanine dipepetide with a single (super 13)C label at 500 MHz were obtained in the lyotropic liquid-crystalline solvent cesium pentadecafluorooctanoate in water. The results corroborate on short polypeptides suggesting that they preferentially sample configurations that fluctuate about P(sub II)-like structures, in contrast to the unusual random-coil models.

Peptides, Alanine

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Determination of bond distances and bond angles in a liquid crystal with hydrogen bonding

Article Abstract:

The structure of liquid crystal with intramolecular hydrogen bonding, 5-butoxy-2[(4-butylphenyl)azophenol, was determined by using X-ray diffraction of a single-crystal and nuclear magnetic resonance (NMR) studies in the nematic phase. The dipolar coupling constants were used to calculate the order parameters of the phenyl rings, as well as the bond distances and bond angles in the hydrogen-bonded moiety.

Electric properties, X-rays, X-ray diffraction, Hydrogen bonding, Hydrogen bonds

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Determination of long-range dipolar couplings using mono-deuterated liquid crystals

Article Abstract:

Long-range dipolar coupling constants are important in the investigation of detailed chain motions and rapid rotations or jumps of the rings. The study indicates that on liquid crystals with monodeuteration in different positions of the chain enables us to obtain information not available previously.

Analysis, Spectra, Nuclear magnetic resonance, Molecular rotation, Atomic properties

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