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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1999
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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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2000
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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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2000
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