Browsing by Author "Sas, E. B."
Now showing items 1-9 of 9
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DFT calculations and experimental FT-IR, FT-Raman, NMR, UV-Vis spectral studies of 3-fluorophenylboronic acid
Karabacak, M.; Kose, E.; Sas, E. B.; Kurt, M.; Asiri, A. M.; Atac, A. (PERGAMON-ELSEVIER SCIENCE LTD, 2015)The spectroscopic (FT-IR, FT-Raman, H-1 and C-13 NMR, UV-Vis), structural, electronic and thermodynamical properties of 3-fluorophenylboronic acid (C6H4FB(OH)(2)), 3FPBA) were submitted by using both experimental techniques ... -
Experimental (FT-IR, FT-Raman, UV-Vis, H-1 and C-13 NMR) and computational (density functional theory) studies on 3-bromophenylboronic acid
Karabacak, M.; Kose, E.; Atac, A.; Sas, E. B.; Asiri, A. M.; Kurt, M. (ELSEVIER SCIENCE BV, 2014)Structurally, boronic acids are trivalent boron-containing organic compounds that possess one alkyl substituent (i.e., C-Br bond) and two hydroxyl groups to fill the remaining valences on the boron atom. We studied ... -
Experimental and theoretical analysis of 2-amino 1-methyl benzimidazole molecule based on DFT
Sas, E. B.; Cevik, M.; Kurt, M. (ELSEVIER SCIENCE BV, 2017)In this work were shown spectroscopic properties, molecular structure and electronic properties of 2 amino 1 methyl benzimidazole molecule. The theoretical calculations in the title molecule were performed with density ... -
FT-IR, FT-Raman, dispersive Raman, NMR spectroscopic studies and NBO analysis of 2-Bromo-1H-Benzimidazol by density functional method
Sas, E. B.; Kurt, M.; Karabacak, M.; Poiyamozhi, A.; Sundaraganesan, N. (ELSEVIER, 2015)In this study, geometrical optimization, FT-IR (4000-400 cm(-1)), FT-Raman (4000-40 cm(-1)), dispersive Raman (4000-40 cm-1) spectroscopic analysis, electronic structure and H-1 and C-13 nuclear magnetic resonance (NMR) ... -
FT-IR, FT-Raman, NMR and UV-Vis spectra and DFT calculations of 5-bromo-2-ethoxyphenylboronic acid (monomer and dimer structures)
Sas, E. B.; Kose, E.; Kurt, M.; Karabacak, M. (PERGAMON-ELSEVIER SCIENCE LTD, 2015)In this study, the Fourier Transform Infrared (FT-IR) and Fourier Transform Raman (FT-Raman) spectra of 5-bromo-2-ethoxyphenylboronic acid (5Br2EPBA) are recorded in the solid phase in the region 4000400 cm(-1) and 3500-10 ... -
A multi-spectroscopic, computational and molecular modeling studies on anti-apoptotic proteins with Boc-D-Lys-OH
Sas, E. B.; Yalcin, S.; Ercan, F.; Kurt, M. (ELSEVIER, 2020)Synthesized molecules have attracted much interest due their biological activity. Anti-apoptotic proteins such as BCL-2, BCL-w, MCL-1, AKT1 and BRAE have potential roles in apoptosis mechanism. Suppression of these ... -
The physical studies and interaction with anti-apoptotic proteins of 2-(bis(cyanomethyl)amino)-2-oxoethyl methacrylate molecule
Yalcin, S.; Sas, E. B.; Cankaya, N.; Ercan, F.; Kurt, M. (INST CONDENSED MATTER PHYSICS NATL ACAD SCIENCES UKRAINE, 2019)In this work 2-(bis(cyanomethyl) amino)-2-oxoethyl methacrylate (CMA2OEM) molecule has been characterized theoretically. First, the potential energy surface has been calculated to find the lowest energy state of the molecule. ... -
Spectroscopic studies on 9H-carbazole-9-(4-phenyl) boronic acid pinacol ester by DFT method
Sas, E. B.; Kurt, M.; Can, M.; Horzum, N.; Atac, A. (ELSEVIER SCIENCE BV, 2016)9H-Carbazole-9-(4-phenyl) boronic acid pinacol ester (9-CPBAPE) molecule was investigated by FT-IR, Raman, UV vis, H-1 and C-13 NMR spectra. FT-IR, FT-Raman and dispersive Raman spectra were recorded in the solid phase. ... -
Synthesis of 2-(bis(cyanomethyl)amino)-2-oxoethyl methacrylate monomer molecule and its characterization by experimental and theoretical methods
Sas, E. B.; Cankaya, N.; Kurt, M. (ELSEVIER SCIENCE BV, 2018)In this work 2-(bis(cyanomethyl)amino)-2-oxoethyl methacrylate monomer has been synthesized as newly, characterized both experimentally and theoretically. Experimentally, it has been characterized by FT-IR, FT-Raman, H-1 ...
