Modeling vibrational spectra of amino acid side chains in proteins: effects of protonation state, counterion, and solvent on arginine C-N stretch frequencies

Article Abstract:

A study was conducted to analyze the vibrational spectrum of arginine's side chain in different protein environments. The infrared spectra of ethylguanidinium salts was modeled under different conditions. The absorbance spectra were then measured using the Nicolet 740 Fourier transform infrared spectrometer. Results indicated that two strong characteristic infrared bands near 1620 and 1670 cm(super -1) correlate to C-N stretching modes.

Proteins, Arginine

---

Vibrational spectra and ab initio DFT calculations of 4-methylimidazole and its different protonation forms: infrared and Raman markers of the protonation state of a histidine side chain

Article Abstract:

A new study performs ab initio DFT calculations for the four different protionation forms of 4-methylimidazole and their N-deuterated analogues. Both Raman and FTIR spectroscopy are used.

Imidazole

---

Use of X-ray charge densities in the calculation of intermolecular interactions and lattice energies: application to glycylglycine, DL-histidine and DL-proline and comparison with theory

Article Abstract:

A new study uses experiemntal X-ray charge densities to evaluate the intermolecular interactions and lattice energies of glycylglycine, DL-histadine and DL-proline crystals.

Electric properties, Crystals, Intermolecular forces

Similar abstracts:

• Abstracts: Photoinduced intramolecular charge transfer in push-pull polyenes: effects of solvation, electron-donor group, and polyenic chain length
• Abstracts: Characterization of architecture signals in proteins. Polarons in ladder-type polymer films; recombination channels and electron-phonon coupling
• Abstracts: Adsorption and encapsulation of fluorescent probes in nanoparticles. Friction at the nanoscale
• Abstracts: Interaction between charged surfaces on the Poisson-Boltzmann level: The constant regulation approximation. Analytical solution of the elastic Boltzmann transport equation in an infinite uniform medium using cumulant expansion
• Abstracts: Rate-dependent fracture at adhesive interface. Surface force measurements at a copper electrode/electrolyte interface

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