Yazar "Yurdakul, Şenay" için listeleme
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Copper(I) iodide complex with 4-pyridinecarboxaldehyde ligand: Synthesis, spectroscopic characterisation, AIM and NCI analysis combined with molecular docking and antibacterial activity studies
Çelik, Sibel; Yurdakul, Şenay; Erdem, Belgin (Elsevier, 2023)In this article, we synthesized a [CuI(4-pyridinecarboxaldehyde)4] complex characterized by CHN analy-ses, FT-IR, UV-Vis, and DFT. The spectroscopic characteristics and biological activities of the synthesized complex were ... -
Experimental and Theoretical Vibrational Spectroscopic Investigations, DFT quantum chemical analysis, Biological activities and Molecular docking on 4,4'& nbsp;-Dimethoxy-2,2'-Bipyridine
Alp, Meryem; Yurdakul, Şenay; Erdem, Belgin (Elsevier, 2022)The present study describes the torsional potentials, molecular geometry in monomer and dimer forms of purchased 4,4'-dimethoxy-2,2'-bipyridine (Dmobpy). The results of experimental Fourier Transform Infrared (FT-IR) and ... -
Experimental and Theoretical Vibrational Spectroscopic Investigations, DFT quantum chemical analysis, Biological activities and Molecular docking on 4,4′-Dimethoxy-2,2′-Bipyridine
Alp, Meryem; Yurdakul, Şenay; Erdem, Belgin (Elsevier B.V., 2022)The present study describes the torsional potentials, molecular geometry in monomer and dimer forms of purchased 4,4′-dimethoxy-2,2′-bipyridine (Dmobpy). The results of experimental Fourier Transform In- frared (FT-IR) ... -
New silver(I) complex as antibiotic candidate: Synthesis, spectral characterization, DFT, QTAIM and antibacterial investigations and docking properties
Çelik, Sibel; Yurdakul, Şenay; Erdem, Belgin (Elsevier B.V., 2022)In the present work, a newly synthesized silver(I) complex was characterized using elemental analysis, UV–Vis spectroscopy, and infrared spectroscopy. DFT calculations at the B3LYP/LANL2DZ level were used to investigate ... -
Structural and Spectroscopic Characterization, Electronic Properties, and Biological Activity of the 4-(3-Methoxyphenyl)Piperazin-1-Ium 4-(3 Methoxyphenyl)Piperazine-1-Carboxylate Monohydrate
Küçük, Ceyhun; Yurdakul, Şenay; Özdemir, Namık; Erdem, Belgin (Sprınger Int Publ Ag, 2023)In this study, 4-(3-methoxyphenyl)piperazin-1-ium 4-(3-methoxyphenyl)piperazine-1-carboxylate monohydrate was synthesized and characterized by using spectroscopic (XRD, FT-IR, FT-Ra, and NMR) techniques. Theoretical ... -
Synthesis, theoretical and experimental spectroscopic properties, molecular docking, ADMET, and RDG analysis of copper(II) complex of dichloro(1,10‑phenanthroline)(1,2,4‑triazole‑3‑carboxcylic acid
Çelik, Sibel; Badoğlu, Serdar; Yurdakul, Şenay (Springer Science and Business Media Deutschland GmbH, 2022)A new dichloro(1,10-phenanthroline)(1,2,4-triazole-3-carboxylic-acid)copper(II) was synthesized, and the most stable optimized structure was determined using the B3LYP/LANL2DZ basis set, followed by FTIR and NMR characterization. ...
