Browsing by Author "Tanış, Emine"
Now showing items 1-16 of 16
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2-metil-1h-benzimidazol-5-karboksilik asit molekülünün yapısal ve titreşimsel spektrumlarının teorik ve deneysel olarak incelenmesi
Tanış, Emine (2017)Bu çalışmada, 2-metil-1h-benzimidazol 5 karboksilik asit (2M1HB5C) molekülü deneysel teknikler (FT-IR, Dispersive Raman, 1H ve 13C NMR spektrumu) ve teorik (DFT metodu) hesaplamalar kullanılarak incelendi. Titreşimsel ... -
Comparison of theoretical and experimental electronic and optoelectronic properties of HPS compound
Şaş, Emine Babür; Tanış, Emine; Gündüz, Bayram; Kurt, Mustafa (Institute of Physics Publishing, 2019)We investigated electronic and optoelectronic properties of 1,1,2,3,4,5-Hexaphenyl-1H-silole (HPS) compound for different concentrations and for theoretical (B3LYP and CAM) and experimental methods. Optical parameters such ... -
A Comprehensive Study of N-Butyl-1H-Benzimidazole
Kazachenko, Aleksandr S.; Tanış, Emine; Akman, Feride; Medimagh, Mouna; Issaoui, Noureddine; Al-Dossary, Omar; Bousiakou, Leda G.; Kazachenko, Anna S.; Zimonin, Dmitry; Skripnikov, Andrey M. (MDPI, 2022)Imidazole derivatives have found wide application in organic and medicinal chemistry. In particular, benzimidazoles have proven biological activity as antiviral, antimicrobial, and antitumor agents. In this work, we ... -
Experimental, Semi-theoretical, and Theoretical Electronic and Non-linear Optical Characteristics of ECBP
Tanış, Emine; Şaş, Emine Babur; Gündüz, Bayram; Kurt, Mustafa (Springer, 2020)The electronic properties of 4,4 '-bis(3-ethyl-N-carbazolyl)-1,1 '-biphenyl (ECBP) have been studied using time-dependent density functional theory. The non-linear optical (NLO) properties and dipole moments were investigated ... -
First Report of the Synthesis, Characterization, DFT Calculations of the New Oxoethyl Methacrylate and o-Acetamide and Evaluation of Antimicrobial, Antibiofilm and Antioxidant Effect
Çankaya, Nevin; Korcan, Safiye Elif; Turan, Nevin; Aydın, Büşra; Tanış, Emine (Taylor and Francis Ltd., 2022)In this study, 2-chloro-N-(2-methoxyphenyl)acetamide (o-acetamide) and 2-(2-methoxyphenylamino)-2-oxoethyl methacrylate (2MPAEMA), which is unreported in the literature were synthesized and characterized. Characterization ... -
The molecular interaction of human anti-apoptotic proteins and in silico ADMET, drug-likeness and toxicity computation of N-cyclohexylmethacrylamide
Çankaya, Nevin; Azarkan, Serap Yalçın; Tanış, Emine (TAYLOR & FRANCIS INC,, MAR 2021)Cancer is an uncontrolled growth of normal cells and apoptosis has an important role in cancer progression and cancer treatment. Antiapoptotic proteins are overexpressed in several tumors including breast, brain, lung ... -
New optoelectronic material based on biguanide for orange and yellow organic light emitting diode: A combined experimental and theoretical study
Tanış, Emine (Elsevier B.V., 2022)In this study, the effects of dimethyl sulfoxide (DMSO), ethanol, methanol, and water solvents on the electronic, optical, and some electrical and sensing properties of the Poly-hexamethylene biguanide hydrochloride (PHMB) ... -
New Syntheses of 4NPMA Homopolymer and Its Copolymer with Limonene: Experimental Analysis and Density Functional Theory Study
Çankaya, Nevin; Tanış, Emine; Sapan, Pembe Gül (Pleiades journals, 2021)Abstract: The N-(4-nitrophenyl)methacrylamide homopolymer (poly(4NPMA)) and copolymer of limonene with N-(4-nitrophenyl)methacrylamide (4NPMA-co-LIM) have been synthesized and characterized by FT-IR and NMR spectroscopic ... -
Optical and photonic properties dependence on HNMB solvents: An emitter molecule for OLEDs
Tanış, Emine (Elsevier Gmbh, 2022)The development of organic light-emitting diodes (OLEDs) is very important due to their use in new generation lighting and displays, their color resolution and their unique optical properties. Herein, the change of the ... -
Study of Electronic, Optoelectronic and Photonic Properties of NBB Material in Solvent Environments
Tanış, Emine (Springer, 2022)Here, the effects of dimethyl sulfoxide (DMSO), ethanol and tetrahydrofuran (THF) solvents on the electronic, optoelectronic and photonic properties of N-butyl-1H-benzimidazole (NBB) organic material were investigated in ... -
A study of silicon and germanium-based molecules in terms of solar cell devices performance
Tanış, Emine (Scıentıfıc Technıcal Research Councıl Turkey-Tubıtak, 2022)Photovoltaic energy sources are increasingly in demand due to the cost of petroleum fuels and concerns about carbon emissions. For this reason, it is important to determine the photovoltaic properties of the compounds that ... -
Synthesis, characterization, investigation of mesomorphic properties and DFT studies of a new 2,5-(dimethoxy)-2-[[(4-(dodecyloxy)phenyl)imino]methyl]benzene): a material liquid crystal for optoelectronics
Elmalı Gülbaş, Hülya; Tanış, Emine; Antepli, Ali (Springer, 2020)In this article, synthesis, characterization and mesomorphic properties of a new calamitic liquid crystal, 2,5-(dimethoxy)-2-[[(4-(dodecyloxy)phenyl)imino]methyl]benzene) (DDPIMB) are described. The phase transition ... -
Synthesis, characterization, investigation of mesomorphic properties and DFT studies of a new 2,5-(dimethoxy)-2-[[(4-(dodecyloxy)phenyl)imino]methyl]benzene): a material liquid crystal for optoelectronics
Elmalı Gülbaş, Hülya; Tanış, Emine; Antepli, Ali (Springer, 2020)In this article, synthesis, characterization and mesomorphic properties of a new calamitic liquid crystal, 2,5-(dimethoxy)-2-[[(4-(dodecyloxy)phenyl)imino]methyl]benzene) (DDPIMB) are described. The phase transition ... -
Synthesis, Structure, DFT Calculations, and In Silico Toxic Potential of Ni(II), Zn(II), and Fe(II) Complexes with a Tridentate Schiff Base
Turan, Nevin; Tanış, Emine; Buldurun, Kenan; Çolak, Naki (Pleiades journals, 2021)Abstract: The Schiff base ligand has been synthesized from 5-bromo-2-hydroxybenzaldehyde and ethyl 6-acetyl-2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, and complexed with Ni(II), Zn(II), and Fe(II). ... -
Tailoring the optical and spectroscopic properties of ascorbic acid via solvation with DMSO: A theoretical study using different quantum models
Nasidi, Ibrahim Isah; Tanış, Emine; Kaygılı, Ömer; Naeem, Samia; Majid, Abdul; Mehnen, Bilel; Bulut, Niyazi (Elsevier B.V., 2024)The anti-oxidizing properties and physiological action of ascorbic acid have recently attracted considerable research attention. This study employs dimethyl sulfoxide (DMSO) solvent to examine the interaction of solvent ... -
Toxic potential of Poly-hexamethylene biguanide hydrochloride (PHMB): A DFT, AIM and NCI analysis study with solvent effects
Çelik, Sibel; Tanış, Emine (Elsevier B.V., 2022)In the current study, the toxic material Poly-hexamethylene biguanide hydrochloride (PHMB) has been characterized by UV–Visible and infrared spectroscopy in different solvent environments. The nature of the molecular ...