Search Results - "Bilkan, Mustafa Tuğfan"

Density Functional Theory Study of Solvent Effects on 3-Fluoro-, 3-Chloro-, 3-Bromopyridine by Bilkan, Mustafa Tuğfan

“…Optimized molecular structures and total energies of 3-fluoro-, 3-chloro-, 3-bromopyridine (3‑FP, 3-CP, and 3-BP) molecules in vacuum, benzene, toluene,…”
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Structural and spectroscopic studies on dimerization and solvent-ligand complexes of Theobromine by Bilkan, Mustafa Tuğfan

“…The solvent effects on structure and vibrational modes of Theobromine (TBR) were examined by using theoretical and experimental methods. Solvent-ligand…”
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The determination of ADME, toxicity, drug-likeness parameters, and anticancer activity of cis-[Pt(Oro)(NH3)2] by Bilkan, Çiğdem, Kocaman, Ceren, Eşmekaya, Meriç Arda, Bilkan, Mustafa Tuğfan

“…[Display omitted] •Structural analyses of cis-[Pt(oro)(NH3)2] was carried out by using DFT.•HOMO-LUMO energies and chemical reactivity data were…”
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Experimental and theoretical studies on a new sulfonamide derivative and its copper complex: Synthesis, FT-IR, NMR, DFT, molecular docking and in silico investigations by Alyar, Saliha, Bilkan, Mustafa Tuğfan, Karataş, Mehmet Fatih, Bilkan, Çiğdem, Alyar, Hamit

“…•A new sulfonamide derivative and its Cu(II) complex were produced and characterized.•CHNS, FT-IR, NMR, LC-MS, conductivity, magnetic susceptibility and TGA…”
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Synthesis, spectroscopic analysis, quantum chemical calculations and in silico biological activity studies of a new series of 8-aryl xanthine by Bilkan, Mustafa Tuğfan, Najeeb, Hamsa Abdullah, Poslu, Ayşe Halıç, Bilkan, Çiğdem, Koz, Gamze

“…•Four new 8-aryl xanthines were synthesized and characterized with spectroscopic methods.•Theoretical spectral data and experimental observations were in good…”
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A Theoretical and Experimental Study on Hydrogen-bonding Interactions between 4H-1,2,4-triazole-3,5-diamine and DMSO/water by Bilkan, Mustafa Tuğfan

“…In this paper, 4TZDA-DMSO/water complexes formed by hydrogen bonding interactions were investigated by a combined experimental and computational approach. Two…”
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Quantum chemical studies on solvent effects, ligand–water complexes and dimer structure of 2,2ʹ-dipyridylamine by Bilkan, Mustafa Tuğfan

“…In this work, optimised structures, structural and spectroscopic properties of 2,2'-dipyridylamine (DPA) in solvent media have been investigated…”
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Synthesis, characterization, spectroscopic properties, DFT calculations and antimicrobial activities of p-toluenesulfonamide,N,N′-1,3-propanediylbis(ptspr) and [Cu(II) (phenanthroline)2]ptspr by Akyıldız, Fatih, Alyar, Saliha, Bilkan, Mustafa Tuğfan, Alyar, Hamit

“…In this paper, p-toluenesulfonamide,N,N′-1,3-propanediylbis (ptspr) and [Cu(II) (phenanthroline)2]ptspr compounds has been synthesized for the first time and…”
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Investigations on effects of titanium dioxide (TiO2) nanoparticle in combination with UV radiation on breast and skin cancer cells by Bilkan, Mustafa Tuğfan, Çiçek, Zehra, Kurşun, Ayşe Gülnihal Canseven, Özler, Mehmet, Eşmekaya, Meriç Arda

“…In this study, we have investigated the chemotherapeutic potential of titanium dioxide (TiO 2 ) nanoparticles on skin and breast cancer cells. The cells have…”
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Experimental and DFT studies of solvent effects on molecular structure and physical properties of Dipyridylamine pyridine based ligand by Bilkan, Mustafa Tuğfan, Şahin, Onur, Yurdakul, Şenay

“…The solvent effects on molecular structure, electronic, vibrational and thermochemical properties of 2,2′-Dipyridylamine were investigated by using…”
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Crystal structure, FT-IR, FT-Raman and DFT studies on a novel compound [C10H9N3]4AgNO3 by Bilkan, Mustafa Tuğfan, Yurdakul, Şenay, Demircioğlu, Zeynep, Büyükgüngör, Orhan

“…A new complex of N-(pyridin-2-yl)pyridin-2-amine (NDPA) molecule, which is [C10H9N3]4AgNO3, has been synthesized for the first time and characterized by…”
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Experimental and theoretical studies on molecular structures and vibrational modes of novel compounds containing silver by Bilkan, Mustafa Tuğfan, Yurdakul, Şenay

“…The two novel silver containing complexes of N-(pyridin-2-yl)pyridin-2-amine (NDPA) molecule has been synthesized and characterized by elemental analysis,…”
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Experimental Spectroscopic and Computational Studies on A New Synthesized Sulfisoxazole Derivative; Molecular Docking, Drug-likeness, ADME, Toxicity Predictions and Carbonic Anhydrase II Activity Investigations by Bilkan, Mustafa Tuğfan, Karataş, Mehmet Fatih, Bilkan, Çiğdem, Alyar, Hamit, Alyar, Saliha

“…In this paper, 5-Dimethylamino-2-hydroxy-3-methoxy benzaldehyde sulfisoxazole (5DHMS) and Cu(5DHMS)2 compounds have been synthesized. The molecular structure…”
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