Now showing items 1-9 of 9

    • A vibrational spectroscopy study on anserine and its aqueous solutions 

      Akkaya, Yasemin; Balcı, Kubilay; Gören, Yeliz; Akyüz, Sevim; Stricker, Moogega C.; Ritzhaupt, G.; Stover, D. D.; Collier, W. B. (Pergamon-Elsevier Science Ltd, The Boulevard, Langford Lane, Kidlington, Oxford Ox5 1Gb, England, 2015-10-05)
      In this study based on vibrational spectroscopic measurements and Density Functional Theory (OFF), we aimed for a reliable interpretation of the IR and Raman spectra recorded for anserine in the solid phase and water (H2O) ...
    • Adsorption and Interaction of 5-fluorouracil with Montmorillonite and Saponite by FT-IR Spectroscopy 

      Akalın, Elif; Akyüz, Tanıl; Akyüz, Sevim (ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS, 2007-05-27)
      Adsorption of 5-fluorouracil (5-FU) on montmorillonite and saponite has been investigated using FT-IR spectrometry. The intercalation of 5-FU within montmorillonite or saponite has been shown by X-ray diffraction to increase ...
    • Comparative study of antitumor active cyclo(Gly-Leu) dipeptide: a computational and molecular modeling study 

      Çelik, Sefa; Özel, Ayşen E.; Akyüz, Sevim (Elsevier Science Bv, Po Box 211, 1000 AE Amsterdam, Netherlands, 2016-03)
      The conformational behavior and vibrational spectra of cyclo(Gly-Leu) dipeptide, which is an important biological active compound and a therapeudic agent, have been investigated by computational methods. The theoretically ...
    • FTIR Investigation Of The O-H Center Dot Center Dot Center Dot Xe Interaction In Simple Carboxylic Acids In Solid Xenon 

      Öğrüç Ildız, Gülce; Nunes, Claudio M.; Kuş, Nihal; Fausto, Rui (Amer Inst Physics, Circulation & Fulfillment Div, 2 Huntington Quadrangle, Ste 1 N O 1, Melville, Ny 11747-4501 USA, 2012-08-14)
      The O-H stretching region of the infrared spectra of a series of carboxylic acids in Xe matrices was investigated as a function of temperature. Upon increasing the temperature, the vO-H band site-components undergo reversible ...
    • Molecular Structure, Infrared Spectra, Photochemistry, and Thermal Properties of 1-Methylhydantoin 

      Nogueira, Bernardo A.; Öğrüç Ildız, Gülce; Canotilho, Joao; Eusebio, M. Ermelinda S.; Fausto, Rui (Amer Chemical Soc, 1155 16Th St, Nw, Washington, Dc 20036 Usa, 2014-08-07)
      The structural, vibrational, and photochemical study of 1-methylhydantoin (1-MM, C4H6N2O2) was undertaken by matrix isolation infrared spectroscopy (in argon matrix; 10 K), complemented by quantum chemical calculations ...
    • Structural and vibrational study of primidone based on monomer and dimer calculations 

      Çelik, Sefa; Kecel Gündüz, Serda; Özel, Ayşen E.; Akyüz, Sevim (Taylor & Francis Inc, 530 Walnut Street, Ste 850, Philadelphia, Pa 19106 USA, 2015-04-03)
      Primidone (Mysoline), with the chemical formula 5-ethyl-5-phenyl-hexahydropyrimidine- 4,6-dione (C12H14N2O2), has been a valuable drug in the treatment of epilepsy. In the present work, the experimental IR and Raman spectra ...
    • The conformational and vibrational behavior of the inhibitory neuropeptide derived from beta-endorphin 

      Kecel Gündüz, Serda; Çelik, Sefa; Özel, Ayşen E.; Akyüz, Sevim (Taylor & Francis Inc, 530 Walnut Street, Ste 850, Philadelphia, Pa 19106 USA, 2017)
      In this study, conformational behavior, structural, and vibrational characterization of the carboxy terminal dipeptide of beta-endorphin (glycy-L-glutamine, glycyl-glutamine, beta-endorphin(30-31)), which is an inhibitory ...
    • The effects of conformation and zwitterionic tautomerism on the structural and vibrational spectral data of anserine 

      Balcı, Kubilay; Akkaya, Yasemin; Akyüz, Sevim; Collier, W. B.; Stricker, Moogega C.; Stover, D. D.; Ritzhaupt, G.; Koch, Andreas; Kleinpeter, Erich (Elsevier Science Bv, Po Box 211, 1000 AE Amsterdam, Netherlands, 2016-09)
      In this study, the stable conformers of neutral anserine were searched by molecular dynamics simulations and energy minimization calculations using the MM2 force field. Thermochemical calculations at B3LYP/6-31G(d) level ...
    • Vibrational spectroscopic and structural investigations of bioactive molecule Glycyl-Tyrosine (Gly-Tyr) 

      Çelik, Sefa; Akyüz, Sevim; Özel, Ayşen E. (Elsevier Science Bv, Po Box 211, 1000 AE Amsterdam, Netherlands, 2017-09)
      This study investigated the conformational behavior of biological active molecule Glycyl-Tyrosine (Gly-Tyr) dipeptide and its dimers, by Boltzmann jump and DET calculations. The energy calculations on Gly-Tyr dipeptide as ...