Ara
Toplam kayıt 3492, listelenen: 3231-3240
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 ...
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 ...
Restricted rotation around the methylene bridge of 5-(2-p-(chlorophenyl)benzimidazole-1-yl)methyl-4-(o-substitutedphenyl)-2,4-dihydro-[1,2,4]-triazole-3-thiones as evidenced by NMR, X-RAY and DFT studies and the importance of low energy rotational conformers
(Elsevier B.V., 2019)
The aim of this study was to clarify the restricted rotation around the –CH2–N bond of the compounds, 5-(2-(p-chlorophenylbenzimidazol-1-yl-methyl)-4-(o-methylphenyl)-2,4-dihydro-[1,2,4]-triazole-3 thione [1], 4-(o-florophenyl)- ...
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 ...
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 ...
Investigation of The Learning and Memory Enhancing Effects of 0.25 mA and 0.5 mA Anodal and Cathodal Transcranial Direct Current Stimulations in Healthy Rats
(Ordu University, 2023)
Objective: Our aim in this study was to investigate the effects of tDCS, which is known to be effective on AM-PA and NMDA, with different anodal and cathodal stimulation types and 0.25 mA and 0.5 mA current intensi-ties ...
Generalized differential transformation method for solving two-interval Weber equation subject to transmission conditions
(KARAGANDA STATE UNIV, 2023)
The main goal of this study is to adapt the classical differential transformation method to solve new types of boundary value problems. The advantage of this method lies in its simplicity, since there is no need for ...
Comparison of the Hook Plate versus TightRope System in the Treatment of Acute Type III Acromioclavicular Dislocation
(HINDAWI LTD, 2022)
Introduction. The objective of this study is to compare the effectiveness of the clavicular hook plate (HP) technique and the minimally invasive coracoclavicular (CC) fixation with a TightRope (MITR) procedure in treating ...
Optical characteristics of Bi12SiO20 single crystals by spectroscopic ellipsometry
(Elsevier, 2020)
Structural and optical characteristics of Bi12SiO20 single crystal grown by the Czochralski method were investigated by virtue of X-ray diffraction (XRD) and spectroscopic ellipsometry measurements. XRD analysis indicated ...