Search Results - "Ilhan, Ilhan Ozer"

Vibrational spectroscopic studies, NMR, HOMO–LUMO, NLO and NBO analysis of 1-(2-nitrobenzoyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole with use X-ray diffractions and DFT calculations by Demir, Sibel, Tinmaz, Feyza, Dege, Necmi, Ilhan, Ilhan Ozer

“…The crystal and molecular structure of the title compound, 1-(2-nitrobenzoyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole, was reported and confirmed by single…”
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Synthesis, characterization, antiproliferative activity, docking, and molecular dynamics simulation of new 1,3-dihydro-2H-benzimidazol-2-one derivatives by Akkoc, Senem, Sahin, Dicle, Muhammed, Muhammed Tilahun, Yıldız, Mustafa, Ilhan, Ilhan Ozer

“…Cancer is a global public health problem that affects millions each year. Novel anticancer drug candidates are in need to treat various cancers and to overcome…”
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Density functional modeling, and molecular docking with SARS-CoV-2 spike protein (Wuhan) and omicron S protein (variant) studies of new heterocyclic compounds including a pyrazoline nucleus by Akman, Soner, Akkoc, Senem, Zeyrek, Celal Tugrul, Muhammed, Muhammed Tilahun, Ilhan, Ilhan Ozer

“…Nowadays, different vaccines and antiviral drugs have been developed and their effectiveness has been proven against SARS-CoV-2. Pyrazoline derivatives are…”
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Synthesis, characterization, antiproliferative activity, docking, and molecular dynamics simulation of new 1,3-dihydro-2 H -benzimidazol-2-one derivatives by Akkoc, Senem, Sahin, Dicle, Muhammed, Muhammed Tilahun, Yıldız, Mustafa, Ilhan, Ilhan Ozer

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Experimental and theoretical studies on 3-(4-chlorophenyl)-5-(4-ethoxyphenyl)-4,5-dihydropyrazole-1-carbonitrile: DFT quantum mechanical calculation, vibrational band analysis, prediction of activity spectra, and molecular docking by Zeyrek, Celal Tuğrul, Akman, Soner, Ilhan, Ilhan Ozer, Kökbudak, Zülbiye, Sarıpınar, Emin, Akkoc, Senem

“…•A new compound was synthesized and fully characterized.•Theoretical calculations of compound were done.•PASS analysis of compound was implemented Synthesis,…”
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Vibrational spectroscopic studies, NMR, HOMO–LUMO, NLO and NBO analysis of 1-(2-nitrobenzoyl)-3,5-diphenyl-4,5-dihydro-1 H -pyrazole with use X-ray diffractions and DFT calculations by Demir, Sibel, Tinmaz, Feyza, Dege, Necmi, Ilhan, Ilhan Ozer

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Vibrational Spectroscopy Investigation Using Ab Initio and Density Functional Theory Analysis on the Structure of tert-Butyl 3a-Chloroperhydro-2,6a-epoxyoxireno[e]isoindole-5-carboxylate by Ilhan, Ilhan Ozer, Binzet, Gün, Demircan, Aydin, Arslan, Hakan

“…The molecular structure, vibrational frequencies, and infrared intensities of the tert-butyl 3a-chloroperhydro-2,6a-epoxyoxireno[e]isoindole-5-carboxylate were…”
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Crystal structure of 1-acetyl-3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole by Bülbül, H., Tinmaz, F., Dege, N., Özer İlhan, İ., Sarıpınar, E.

“…In the title compound, C 18 H 18 N 2 O, the whole molecule is not planar but the phenyl ring systems are planar individually. The central pyrazole ring system…”
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Crystal and Molecular Structure of 3,5-Diphenyl-4,5-dihydro-2-phenylcarboxamide-1H-pyrazole by Tanak, Hasan, İlhan, İlhan Özer, Dege, Necmi, Akın, Nazenin, Sarıpınar, Emin

“…Crystal structure of the title compound C 22 H 19 N 3 O is determined by single crystal X-ray diffraction (sp. gr. P 2 1 / c , Z = 4). The molecule as a whole,…”
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Crystal structure of 3-(4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one, C17H16O2 by Köysal, Yavuz, Bülbül, Hakan, Özdemir, Funda, İlhan, İlhan Özer, Dege, Necmi

“…, monoclinic, (no. 14), = 11.6963(12) Å, = 11.1187(8) Å, = 11.6902(10) Å, = 115.545(7)°, = 1371.7(2) Å , = 4, ) = 0.0350, ) = 0.0865, = 293 K…”
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A Convenient Synthesis of Functionalized 1H-Pyrimidine-2-ones/thiones, Pyridazine and Imidazole; Experimental Data and PM3 Calculations by Sarıpınar, Emin, Yilmaz, Çigdem, Ünal, Dilek, Özer Ilhan, Ilhan, Yazır, Nihal, Akçamur, Yunus

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Single Crystal, DFT and Docking Studies of a Benzimidazolium Salt by Akkoç, S., Yavuz, S. Çağlar, Türkmenoğlu, B., İlhan, İ. Özer, Akkurt, M.

“…A single-crystal of (C 18 H 18 N 3 ) + Br – , namely, 3-[(2-cyanophenyl)methyl]-1-propyl-1 H -benzo[ d ]imidazol-3-ium bromide, was studied using X-ray…”
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Synthesis and In Vitro Anticancer Evaluation of Some Benzimidazolium Salts by Akkoç, Senem, Kayser, Veysel, İlhan, İlhan Özer

“…A series of benzimidazolium salts having 2‐cyanobenzyl (2–6), 2‐(4‐nitrophenyl)ethyl (7–10), (1,3‐dioxoisoindolin‐2‐yl)butyl (11–17) or N‐methylphthalimide…”
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Preparation and Properties of Some New Pyrazole Derivatives by Tınmaz, Feyza, İlhan, İlhan Özer, Akkoç, Senem

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Investigation of structural, spectral, electronic, and biological properties of 1,3-disubstituted benzimidazole derivatives by Akkoç, Senem, Tüzün, Burak, İlhan, İlhan Özer, Akkurt, Mehmet

“…This article reports studies on benzimidazole based heterocyclic compounds (S3-S5). X-ray diffraction technique was applied to study the structure of…”
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Synthesis and characterization of new 4,5-dihydropyrazol-1-yl derivatives by Özdemir Güney, Funda, İlhan, İlhan Özer, Akkoç, Senem

“…In this study, first, a series of chalcone compounds S1-S6 were synthesized from various acetophenone derivatives (acetophenone, p-methyl acetophenone, and…”
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New compounds based on a benzimidazole nucleus: synthesis, characterization and cytotoxic activity against breast and colon cancer cell lines by Akkoç, Senem, Kayser, Veysel, İlhan, İlhan Özer, Hibbs, David E., Gök, Yetkin, Williams, Peter A., Hawkins, Bryson, Lai, Felcia

“…Benzimidazolium salts and their Pyridine Enhanced Precatalyst Preparation Stabilization and Initiation (PEPPSI) palladium N-heterocyclic carbene (Pd-NHC) based…”
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N-Methylphthalimide-substituted benzimidazolium salts and PEPPSI Pd-NHC complexes: synthesis, characterization and catalytic activity in carbon-carbon bond-forming reactions by Akkoç, Senem, Gök, Yetkin, İlhan, İlhan Özer, Kayser, Veysel

“…A series of novel benzimidazolium salts (1-4) and their pyridine enhanced precatalyst preparation stabilization and initiation (PEPPSI) themed palladium…”
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Experimental (XRD, IR and NMR) and theoretical investigations on 1-(2-nitrobenzoyl)3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole by Evecen, Meryem, Tanak, Hasan, Tinmaz, Feyza, Dege, Necmi, Özer İlhan, İlhan

“…The pyrazole compound 1-(2-nitrobenzoyl)3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole (I) has been synthesized and characterized by IR, NMR and X-ray…”
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Synthesis, spectral and theoretical (DFT) investigations of 4,6-diphenyl-6-hydroxy-1-{[(1Z)-1-phenyl ethylidene] amino}tetrahydropyrimidine-2(1H)-one by Arı, Hatice, Özpozan, Talat, Büyükmumcu, Zeki, Akın, Nazenin, İlhan, İlhan Özer

“…•Theoretical analysis of new pyrimidine derivative was made by B3LYP & CAM-B3LYP.•Rotational barrier, conformational, H-bonding and NBO analyses were…”
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