Conformational preferences and cis-trans isomerization of azaproline residue

Article Abstract:

Ab initio high-frequency (HF) and density functional methods with the self-consistent reaction field method are used to study N-acetyl-N'-acetyl-N'-methylamide of azaproline (Ac-azPro-NHMe, the azPro dipeptide). The pertinent distance and the pyramidality of imide nitrogen have described the role of the hydrogen bond in stabilizing the transition state structure and the lower rotational barriers for the azPro dipeptide than those for the Pro dipeptide in the gas phase and in solution.

All Other Basic Organic Chemical Manufacturing, Industrial organic chemicals, not elsewhere classified, Methylamines, Observations, Conformational analysis, Hydrogen bonding, Hydrogen bonds, Density functionals, Density functional theory, Chemical properties

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A study of the liquid and solvent properties of optically active and racemic [alpha]-methylbenzylamine

Article Abstract:

The results of a series of experiments which probe the structure of liquid MBA and how it solvates a series of disparate solutes including methanol, dimethyl sulfoxide, cyclohexane, toluene, and nitrobenzene is reported.

Petrochemical Manufacturing, Toluene, Quantum theory, Quantum mechanics, Nuclear magnetic resonance spectroscopy, Optical properties, Mechanical properties, Methyl groups, Methyl compounds

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