Heterodyned two-dimensional infrared spectroscopy of solvent-dependent conformations of acetylproline-NH2

Article Abstract:

The two-dimensional infrared (2D IR) methods are used to determine the features of the vibrational dynamics and structure of the dipeptide acetylproline-NH2 in D2O and CDCl3. The result obtained from the measurements shows diagonal peaks and cross-peaks that are determined by the structures and vibrational dynamics of the acetylproline-NH2 molecule.

Nuclear magnetic resonance spectroscopy, Amino acids, Amides, NMR spectroscopy

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Two-event echos in single-molecule kinetics: a signature of conformational fluctuations

Article Abstract:

A quantitative relation between the two-event echo and conformational fluctuations is analyzed. It was found that conformational relaxation is reflected not only in modulated reactions but also in other dynamic processes, including diffusion and quantum dissipation.

All Other Basic Inorganic Chemical Manufacturing, Industrial inorganic chemicals, not elsewhere classified, Potassium & Sodium Compounds, Potassium & Compounds, Chemical reaction, Rate of, Chemical kinetics, Molecules, Potassium compounds

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Molecular dynamics study of thin water-acetonitrile films

Article Abstract:

The composition and orientation profiles for thin and water-acetonitrile films are generated using the molecular dynamics simulations. For low acetonitrile concentrations, the liquid-vapor interfaces of the films are found to be acetonitrile rich.

Semiconductors and related devices, Semiconductor and Related Device Manufacturing, Thin Film Materials, Molecular dynamics, Thin films, Dielectric films, Bessel functions

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