Browsing by Author "Tuzun, Burak"
Now showing items 1-14 of 14
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4D-QSAR Study of Some Pyrazole Pyridine Carboxylic Acid Derivatives By Electron Conformational-Genetic Algorithm Method
Tuzun, Burak; Yavuz, Sevtap Caglar; Sabanci, Nazmiye; Saripinar, Emin (BENTHAM SCIENCE PUBL LTD, 2018)Introduction: In the present work, pharmacophore identification and biological activity prediction for 86 pyrazole pyridine carboxylic acid derivatives were made using the electron conformational genetic algorithm approach ... -
Anticorrosive Effects of Some Thiophene Derivatives Against the Corrosion of Iron: A Computational Study
Guo, Lei; Safi, Zaki S.; Kaya, Savas; Shi, Wei; Tuzun, Burak; Altunay, Nail; Kaya, Cemal (FRONTIERS MEDIA SA, 2018)It is known that iron is one of the most widely used metals in industrial production. In this work, the inhibition performances of three thiophene derivatives on the corrosion of iron were investigated in the light of ... -
Comparison of spectroscopic, electronic, theoretical, optical and surface morphological properties of functional manganese(III) phthalocyanine compounds for various conditions
Gunsel, Armagan; Bilgich, Ahmet T.; Piskin, Hasan; Tuzun, Burak; Delibas, Nagihan Caylak; Yarasir, M. Nilufer; Gunduz, Bayram (ELSEVIER SCIENCE BV, 2019)We synthesized and characterized the non-peripherally and peripherally tetra-substituted manganese (III) phthalocyanines (3) and (4) containing [4-(2-methoxyethyl)phenoxy] group. Synthesized compounds were characterized ... -
Density Functional Theory (DFT) modeling and Monte Carlo simulation assessment of inhibition performance of some carbohydrazide Schiff bases for steel corrosion
Obot, I. B.; Kaya, Savas; Kaya, Cemal; Tuzun, Burak (ELSEVIER SCIENCE BV, 2016)DFT and Monte Carlo simulation were performed on three Schiff bases namely, 4-(4-bromophenyl)-N'-(4-methoxybenzylidene)thiazole-2-carbohydrazide (BMTC), 4-(4-bromophenyl)-N'-(2,4-dimethoxybenzylidene)thiazole-2-carbohydrazide ... -
Determination of corrosion inhibition effects of amino acids: Quantum chemical and molecular dynamic simulation study
Kaya, Savas; Tuzun, Burak; Kaya, Cemal; Obot, Ime Bassey (ELSEVIER SCIENCE BV, 2016)Amino acids are biologically important organic compounds in the human body which contain two important functional groups namely: -NH2 (amine) and -COOH (carboxylic acid) in their structures. In the present work, corrosion ... -
Investigations over optical properties of boron complexes of benzothiazolines
Tuzun, Burak; Sayin, Koray (PERGAMON-ELSEVIER SCIENCE LTD, 2019)Quantum chemical analyses over benzothiazolines and their boron complexes are performed. In calculations, M06-2X method was selected with 6-31 + G(d,p) level. Structural and spectral (IR and NMR) characterization of studied ... -
Novel type ketone-substituted metallophthalocyanines: synthesis, spectral, structural, computational and anticancer studies
Hepokur, Ceylan; Gunsel, Armagan; Yarasir, M. Nilufer; Bilgicli, Ahmet T.; Tuzun, Burak; Tuzun, Gamze; Yaylim, Ilhan (ROYAL SOC CHEMISTRY, 2017)This work reports on the synthesis and characterization of phthalocyanines (M = Cu(II) (2), Zn(II) (3) In(III) (4) and Co(II) (5)) peripherally tetra-substituted with 1-(4-hydroxyphenyl) propan-1-one. Confirmation of the ... -
Quantum chemical and molecular dynamic simulation studies for the prediction of inhibition efficiencies of some piperidine derivatives on the corrosion of iron
Kaya, Savas; Guo, Lei; Kaya, Cemal; Tuzun, Burak; Obot, I. B.; Touir, Rachid; Islam, Nazmul (ELSEVIER SCIENCE BV, 2016)The adsorption and corrosion inhibition properties of three piperidine derivatives namely, (1-(5-fluoro-2-(methylthio) pyrimidine-4-yl) piperidine 4 yl) 2,5-dimethoxybenzenesulfonamide (FMPPDBS), (1-(5-fluoro-2-(methylthio) ... -
Quantum chemical and molecular dynamics simulation studies on inhibition performances of some thiazole and thiadiazole derivatives against corrosion of iron
Kaya, Savas; Kaya, Cemal; Guo, Lei; Kandemirli, Fatma; Tuzun, Burak; Ugurlu, Ilkay; Madkour, Loutfy H.; Saracoglu, Murat (ELSEVIER SCIENCE BV, 2016)In the present study, to predict corrosion inhibition performances of 2-amino-4-(4-chlorophenyl)-thiazole (Inh1), 2-amino-4-(4-bromophenyl)-thiazole (Inh2), 4-(2-aminothiazole-4-yl)-phenol (Inh3), 5,5'-(ethane-1,2-diyldi ... -
Selective chemosensor phthalocyanines for Pd2+ ions; synthesis, characterization, quantum chemical calculation, photochemical and photophysical properties
Gunsel, Armagan; Kirbac, Erkan; Tuzun, Burak; Erdogmus, Ali; Bilgicli, Ahmet T.; Yarasir, M. Nilufer (ELSEVIER SCIENCE BV, 2019)In this study, ligand (1) was prepared by a nucleophilic displacement reaction of (4-bromophenyl) methanethiol with 4-nitrophthalonitrile according to literature and its novel type peripheral substituted tetra phthalocyanines ... -
Synthesis of tetra-substituted metallophthalocyanines: Spectral, structural, computational studies and investigation of their photophysical and photochemical properties
Guzel, Emre; Gunsel, Armagan; Tuzun, Burak; Atmaca, Goknur Yasa; Bilgicli, Ahmet T.; Erdogmus, Ali; Yarasir, M. Nilufer (PERGAMON-ELSEVIER SCIENCE LTD, 2019)This work presents the synthesis of peripherally and non-peripherally tetra-substituted metallophthalocyanines (6-14) containing the 2-(3,4-dimethoxyphenyl)ethanol group. The synthesized compounds were characterized by ... -
Synthesis of tetra-substituted phthalocyanines bearing 2-(ethyl(m-tolyl) amino)ethanol: Computational and photophysicochemical studies
Gunsel, Armagan; Bilgicli, Ahmet T.; Tuzun, Burak; Piskin, Hasan; Atmaca, Goknur Yasa; Erdogmus, Ali; Yarasir, M. Nilufer (ELSEVIER SCIENCE SA, 2019)This work presents the synthesis of 4-(2-(ethyl(m-tolyl) amino) ethoxy) phthalonitrile (1) as ligand and its peripherally tetrasubstituted metal-free (2) and metallophthalocyanines (3-5) derivatives. Synthesized compounds ... -
Theoretical evaluation of some benzotriazole and phospono derivatives as aluminum corrosion inhibitors: DFT and molecular dynamics simulation approaches
Kaya, Savas; Banerjee, Priyabrata; Saha, Sourav Kr.; Tuzun, Burak; Kaya, Cemal (ROYAL SOC CHEMISTRY, 2016)The adsorption and corrosion inhibition properties of some benzotriazole and phospono derivatives namely, 1-(2-pyrrolecarbonyl)-benzotriazole (PBTA), 1-(2-thienyLcarbonyl)-benzotriazole (TBTA), 2-phosphonoacetic acid (PAA) ... -
Theoretical evaluation of triazine derivatives as steel corrosion inhibitors: DFT and Monte Carlo simulation approaches
Obot, I. B.; Kaya, Savas; Kaya, Cemal; Tuzun, Burak (SPRINGER, 2016)Density functional theory (DFT) calculations and atomistic Monte Carlo simulations were performed on hexahydro-1,3,5-triphenyl-s-triazine (Inh1), hexahydro-1,3,5-p-tolyl-s-triazine (Inh2), hexahydro-1,3,5-p-methoxyphenyl ...