Makale Koleksiyonu
Güncel Gönderiler
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Evaluation of Zerumbone as an EGFR Tyrosine Kinase Inhibitor by Molecular Docking Method
(University of Ankara, 2023)Objective: EGFR-TK domain is of great importance in the initiation and progression of various cancer types, especially lung cancer. The existing EGFR-TK inhibitors have numerous side effects, which make them improper to ... -
Revealing the effect of Co/Cu (d7/d9) cationic doping on an electronic acceptor ZnO nanocage surface for the adsorption of citric acid, vinyl alcohol, and sulfamethoxazole ligands: DFT-D3, QTAIM, IGM-NCI, and MD analysis
(ELSEVIER SCIENCE SA, 2023)The electron-spin duality and propagation of the active sites of free electrons are of interest for adsorbing the guests and fixing them with strong hydrogen bonds (HB). The coherence of the systems with the guests is one ... -
Voltammetric Analysis of Thiram with Bimetallic Nanosensor and Investigation of Adsorption Mechanism by DFT-D3 Method
(ELECTROCHEMICAL SOC INC, 2023)In this study, to detect thiram electrochemically, a simple nanosensor based on a glassy carbon electrode (GCE) modified with green-synthesized Ag and Au nanoparticles was designed. AuNPs@AgNPs/GCE nanosensor gave considerably ... -
Computational Insight into Conformational Rearrangement and Intramolecular-H Bond Analysis of Some Calix[4]Arenes Including Acryloyl Moiety
(2019)The conformational analyses of Calix[4]arenes reveals four different stable structures (conformations); Cone, Partial Cone, 1,2-Alternate and 1,3-Alternate after employing a density functional theory (DFT) computational ... -
Azo-methoxy-calix[4]arene complexes with metal cations for chemical sensor applications: Characterization, QTAIM analyses and dispersion-corrected DFT- computations
(Pergamon-Elsevier Science Ltd, 2022)In this work, the structures, quantum chemical descriptors, morphologic characterization of the azomethoxy-calix[4]arene were investigated. The analyses and interpretation of the theoretical and the experimental IR ... -
Effects of Ce-Dy rare earths co-doping on various features of Ni-Co spinel ferrite microspheres prepared via hydrothermal approach
(Elsevier, 2021)The effects of Ce-Dy co-doping on the crystal structure, optical, dielectric, magnetic properties, and hyperfine interactions of Ni-Co spinel ferrite microspheres synthesized hydrothermally have been studied. A series of ... -
In silico exploration of O-H center dot center dot center dot X2+ (X = Cu, Ag, Hg) interaction, targeted adsorption zone, charge density iso-surface, O-H proton analysis and topographic parameters theory for calix[6]arene and calix[8]arene as model
(Elsevier, 2021)In this work, the best adsorption targeted zones of the metal cations Ag2+, Cu2+ and Hg2+ at the surfaces or inside, outside the cavity of the calix[6] (CX[6]), calix[8]arene (CX[8]), NUBMOM (NUB-.) and LAYKUR (LAY-.) have ... -
Correlation between chemical composition, electrical, magnetic and microwave properties in Dy-substituted Ni-Cu-Zn ferrites
(Elsevier, 2021)Dy3+ ion-substituted nanoferrites Ni0.4Cu0.2Zn0.4Fe2_ xDyxO4 (x <= 0.04) were produced via sol-gel method. Correlation between chemical composition, crystal structure, electrical, magnetic and microwave properties was ... -
Influence of Dy3+ Ions on the Microstructures and Magnetic, Electrical, and Microwave Properties of [Ni0.4Cu0.2Zn0.4](Fe2-xDyx)O-4 (0.00 <= x <= 0.04) Spinel Ferrites
(Amer Chemical Soc, 2021)[Ni0.4Cu0.2Zn0.4](Fe2-xDyx)O-4 spinel ferrite nanoparticles with different Dy3+ concentrations (0.00 <= x <= 0.04) were prepared by a citrate sol-gel auto-combustion technique. A strong correlation among Dy concentration, ... -
Theoretical assessment of calix[4]arene-N-beta-ketoimine (n=1-4) derivatives: Conformational studies, optoelectronic, and sensing of Cu(2+)cation
(Springer, 2021)Herein, we have investigated the key functions of the calix[4]arene, abbreviated as CX [1], and designed its several derivatives by substitution of the functional groups. Molecular geometry provides an intuitive understanding ... -
Structural, Magnetic, and Mossbauer Parameters' Evaluation of Sonochemically Synthesized Rare Earth Er3+ and Y3+ Ions-Substituted Manganese-Zinc Nanospinel Ferrites
(Amer Chemical Soc, 2021)The effect of Er3+ and Y3+ ion-co-substituted Mn0.5Zn0.5ErxYxFe2-2xO4 (MZErYF) (x <= 0.10) spinel nanoferrites (SNFs) prepared by a sonochemical approach was investigated. Surface and phase analyses were carried out using ... -
Effect of atomic-layer-deposited HfO2 thin-film interfacial layer on the electrical properties of Au/Ti/n-GaAs Schottky diode
(Springer, 2021)The electrical properties of Au/Ti/HfO2/n-GaAs metal/insulating layer/semiconductor (MIS) contact structures were analyzed in detail by the help of capacitance-voltage (C-V) and conductance-voltage (G-V) measurements in ... -
Dielectric characterization of Al/PCBM:ZnO/p-Si structures for wide-range frequency
(Indian Acad Sciences, 2021)The dielectric properties of the Al/PCBM:ZnO/p-Si structure were investigated using the impedance spectroscopy technique. PCBM:ZnO layer was obtained by spin coating method on the p-Si. The morphological properties of the ... -
A study on electrical properties of Au/4H-SiC Schottky diode under illumination
(Springer, 2021)Y In this work, a metal-semiconductor diode in the form of Au/4H-SiC is fabricated, and the electrical properties of this device are systematically examined under dark and different illumination intensities. To perform ... -
Impact of Gd substitution on the structure, hyperfine interactions, and magnetic properties of Sr hexaferrites
(Elsevier Sci Ltd, 2021)Gd3+-substituted nano-sized Sr-hexaferrite, SrGd(x)Fe(12-x)O19 (0.00 <= x <= 0.05) NHFs (SrGd NHFs), were fabricated by a one-pot sol-gel combustion approach assisted by citric acid. The crystal structures, surface ... -
Analysis of Double Gaussian Distribution on Barrier Inhomogeneity in a Au/n-4H SiC Schottky Diode
(Springer, 2021)A n-4H SiC based diode is fabricated by an Au front metal contact to provide rectification at the metal-semiconductor (MS) junction, and a back ohmic contact is also obtained using Au metal with post-thermal heating. MS ... -
SYNTHESIS, CHARACTERIZATION, THERMAL, X-RAY, AND DFT ANALYSES OF 6-TERT-BUTYL 3-ETHYL 2-[(3-METHOXY/5-BROMO)-2-HYDROXY AND (3-NITRO/3-METHOXY)BENZYLIDENEAMINO]- 4,5-DIHYDROTHIENO[2,3-C]PYRIDINE-3,6(7H)-DICARBOXYLATE
(Pleiades Publishing Inc, 2021)In this work, 6-tert-butyl 3-ethyl 2-amino-4,5-dihydrothieno[2,3-c]pyridine-3,6(7H)-dicarboxylate is synthesized from starting tert-butyl 4-oxopiperidine-1-carboxylate, ethyl cyanomalonate, and sulfur, and then, coupled ... -
Molecular stabilities, conformational analyses and molecular docking studies of benzimidazole derivatives bearing 1,2,4-triazole as EGFR inhibitors
(Springer/Plenum Publishers, 2021)A detailed study of the tautomeric properties, the conformations, and the mechanism behind the anti-cancer properties of 5-{[2-(4-methoxyphenyl)-1H-benzimidazol-1-yl]methyl}-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione ... -
SrCoxZrxFe12-2xO19 and SrNixZrxFe12-2xO19 hexaferrites: A Comparison Study of AC Susceptibility, FC-ZFC and hyperfine interactions
(Elsevier, 2020)This study compares the AC susceptibility, FC-ZFC and hyperfine interactions of Sr(CoxZrx) Fe12-2xO19 and Sr(NixZrx)Fe12-2xO19 hexaferrites (HFs) manufactured via ultrasonic route. The formation of M-type hexaferrites have ... -
Ultrasonic synthesis, magnetic and optical characterization of Tm(3+)and Tb3+ ions co-doped barium nanohexaferrites
(Academic Press Inc Elsevier Science, 2020)This study investigated the structural, optical and magnetic properties of BaTmxTbxFe12-2xO19(x <= 0.05) nanohexaferrites (NHFs) produced by ultrasonic assisted sol-gel combustion approach. The structure of all samples was ...
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