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Pregled bibliografske jedinice broj: 815969

Hydrogen bonding in complex of serine with histidine : computational and spectroscopic study of model compounds


Vianello, Robert; Kovačević, Borislav; Ambrožić, Gabriela; Mavri, Janez; Maksić, Zvonimir
Hydrogen bonding in complex of serine with histidine : computational and spectroscopic study of model compounds // Chemical physics letters, 400 (2004), 1-3; 117-121 doi:10.1016/j.cplett.2004.10.089 (međunarodna recenzija, članak, znanstveni)


CROSBI ID: 815969 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
Hydrogen bonding in complex of serine with histidine : computational and spectroscopic study of model compounds

Autori
Vianello, Robert ; Kovačević, Borislav ; Ambrožić, Gabriela ; Mavri, Janez ; Maksić, Zvonimir

Izvornik
Chemical physics letters (0009-2614) 400 (2004), 1-3; 117-121

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
enzyme catalysis ; vibrational frequencies ; molecular-dynamics ; proton-transfer ; simulation ; mechanism ; spectra

Sažetak
We performed a comparative spectroscopic FTIR and computational study of the vibrational OH stretching frequencies in liquid ethanol-ethanol (I) and liquid ethanol-N-methylimidazole dimers (II). The latter system mimics the hydrogen bond formation between serine and histidine residues, which is the incipient step in the enzymatic activity of the catalytic triads. Complex (I) was studied as a reference system. The infrared spectra revealed the presence of the OH fundamental stretching transitions at 3339 and 3271 cm(-1) for complexes (I) and (II), respectively. This red shift of 68 cm(-1) indicates that the hydrogen bond between ethanol and N methylimidazole exists and it is favoured over the one occurring in ethanol dimers. It is shown that vibrations exhibit anharmonicity.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekti:
0098058

Ustanove:
Institut "Ruđer Bošković", Zagreb,
Prirodoslovno-matematički fakultet, Zagreb

Poveznice na cjeloviti tekst rada:

doi www.sciencedirect.com doi.org

Citiraj ovu publikaciju:

Vianello, Robert; Kovačević, Borislav; Ambrožić, Gabriela; Mavri, Janez; Maksić, Zvonimir
Hydrogen bonding in complex of serine with histidine : computational and spectroscopic study of model compounds // Chemical physics letters, 400 (2004), 1-3; 117-121 doi:10.1016/j.cplett.2004.10.089 (međunarodna recenzija, članak, znanstveni)
Vianello, R., Kovačević, B., Ambrožić, G., Mavri, J. & Maksić, Z. (2004) Hydrogen bonding in complex of serine with histidine : computational and spectroscopic study of model compounds. Chemical physics letters, 400 (1-3), 117-121 doi:10.1016/j.cplett.2004.10.089.
@article{article, author = {Vianello, Robert and Kova\v{c}evi\'{c}, Borislav and Ambro\v{z}i\'{c}, Gabriela and Mavri, Janez and Maksi\'{c}, Zvonimir}, year = {2004}, pages = {117-121}, DOI = {10.1016/j.cplett.2004.10.089}, keywords = {enzyme catalysis, vibrational frequencies, molecular-dynamics, proton-transfer, simulation, mechanism, spectra}, journal = {Chemical physics letters}, doi = {10.1016/j.cplett.2004.10.089}, volume = {400}, number = {1-3}, issn = {0009-2614}, title = {Hydrogen bonding in complex of serine with histidine : computational and spectroscopic study of model compounds}, keyword = {enzyme catalysis, vibrational frequencies, molecular-dynamics, proton-transfer, simulation, mechanism, spectra} }
@article{article, author = {Vianello, Robert and Kova\v{c}evi\'{c}, Borislav and Ambro\v{z}i\'{c}, Gabriela and Mavri, Janez and Maksi\'{c}, Zvonimir}, year = {2004}, pages = {117-121}, DOI = {10.1016/j.cplett.2004.10.089}, keywords = {enzyme catalysis, vibrational frequencies, molecular-dynamics, proton-transfer, simulation, mechanism, spectra}, journal = {Chemical physics letters}, doi = {10.1016/j.cplett.2004.10.089}, volume = {400}, number = {1-3}, issn = {0009-2614}, title = {Hydrogen bonding in complex of serine with histidine : computational and spectroscopic study of model compounds}, keyword = {enzyme catalysis, vibrational frequencies, molecular-dynamics, proton-transfer, simulation, mechanism, spectra} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus


Citati:





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