Vibrational lifetimes and spectral shifts in supercritical fluids as a function of density: experiments and theory

Article Abstract:

Research is presented concerning the effects of density functionals on spectral shifts and vibrational lifetimes in supercritical fluids of ethane, fluoroform and carbon dioxide at two temperatures. Quantitative agreements of data and theory are much better for fluoroform and ethane than for carbon dioxide.

Usage, Measurement, Carbon dioxide, Spectrum analysis, Spectroscopy, Vibration, Vibration (Physics), Chemical reaction, Rate of, Chemical kinetics, Density functionals, Density functional theory, Ethanes, Fluorine compounds, Ethane

---

Effects of solvent viscosity on protein dynamics: Infrared vibrational echo experiments and theory

Article Abstract:

The influence of solvent viscosity on the surface and internal structural dynamics of the protein myglobin is studied by using ultrafast infrared vibrational echo measurements of the pure dephasing of the A1CO stretching mode of myoglobin-CO (Mb-CO). Measurements at 295K show the pure dephasing marked dependency on viscosity.

Science & research, Proteins, Superfluidity

---

Dynamics of myoglobin-CO with the proximal histidine removed: vibrational echo experiments

Article Abstract:

The vibrational dynamics of carbon monoxide bound to the active site of myoglobin was investigated using picosecond infrared vibrational echo calculations. Measurements were compared to those on native myoglobin and on the mutant H64V. Experimental results showed that there is no change in the temperature-dependent vibrational pure dephasing time even though the only covalent linkage between heme-CO and the mutant myoglobin H93G(N-MeIm) is broken. It was also found that cutting the only covalent bond between the heme and the globin has negligible or no effect on the protein dynamics detected by vibration of the CO at the active site of myoglobin.

Binding sites (Biochemistry), Active sites (Biochemistry), Molecular dynamics, Myoglobin, Carbon monoxide, Molecular rotation, Histidine, Vibrational spectra

Similar abstracts:

• Abstracts: Surface and textural properties of network-modified silica as a function of transition metal dopant zirconium
• Abstracts: Capturing the concentration dependence of trans-2-butene diffusion in silicalite-2 zeolite with a jump diffusion model
• Abstracts: Spectroscopy and photo physics of self-organized zinc porphyrin nanolayers. 1. Optical spectroscopy of excitonic interactions involving the soret band
• Abstracts: Adiabatic nuclear and electronic sampling Monte Carlo simulations in the Gibbs ensemble: application to polarizable force fields for water
• Abstracts: Thermodynamic properties of the Williams, OPLS-AA, and MMFF94 all-atom force fields for normal alkanes. Phase behavior of elemental aluminum using Monte Carlo simulations

This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.