Browsing Matematik ve Fen Bilimleri Eğitimi Bölümü by Title
Now showing items 81-100 of 114
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Pd-PEPPSI: X-ray Structure, Spectroscopic Analyses, and Quantum Mechanical Studies
(2021)Pyridine enhanced precatalyst preparation stabilization and initiation (PEPPSI) complexes contain two halides, an unstable pyridine derivative and a bulky N-heterocyclic carbene (NHC) ligand. In this study, a new ... -
PEPPSI complexes as potential prodrugs: enzyme inhibition, antioxidant activity, electrochemical characterization, molecular docking analysis
(2021)In this study, enzyme inhibition and antioxidant activity analyzes of previously characterized pyridine-enhanced precatalyst preparation stabilization and initiation (PEPPSI)-type Palladium(II) complexes with ... -
PEPPSI type complexes: Synthesis, x-ray structures, spectral studies, molecular docking and theoretical investigations
(2021)In this work, three novel potent benzimidazolium-derived PEPPSI type palladium complexes, namely dichloro[1-allyl-3-benzylbenzimidazole-2-ylidene]pyridine palladium(II) (1), dichloro[1-allyl-3-(1- naphthylmethyl)benzim ... -
Photoionization cross section of a D+ 2 complex in quantum dots: the role of donor atoms configuration
(2022)This study reports a theoretical investigation on the electronic spectrum and the photoionization cross section of a singly ionized double donor complex D+ 2 confined in a two-dimensional quantum dot with Gaussian ... -
Photoluminescence characteristic of as-grown and thermally annealed nand p-type modulation-doped Ga0.68In0.32NxAs1-x/GaAs quantum well structures
(9.6.2021)The electronic band structure of n- and p-type modulation-doped Ga0.68In0.32NyAs1-y/GaAs (y=0, 0.9, 1.2, 1.7) quantum well is calculated using the 10 band k•p model and the finite element method for valance band (VB) and ... -
Physicochemical properties, drug likeness, ADMET, DFT studies, and in vitro antioxidant activity of oxindole derivatives
(Elsevier, 2023)Poor pharmacokinetic and safety profiles create significant hurdles in the drug development process. This work focuses on a detailed understanding of drug discovery interplay among physicochemical, pharmacokinetic, toxicity ... -
Pyrimidine and cumene derivatives functionalized by hydroxy and methoxy: Computational insights in drug-likeness, ADM, and toxicity studies
(Elsevier, 2023)The –OH and –OCH3 functionalized isopropyl cumene and isopropyl pyrimidine derivatives were designed and, explored in terms of the ADM, and possible toxic effects in view of the medicinal and environmental. For this goal, ... -
Shallow‑donor impurity effects on the far infrared electron–electron optical absorption coefficient in single and core/shell spherical quantum dots with Konwent‑like confinement potential
(2022)In this study, the electronic and optical properties of single or core/shell quantum dots, which are formed depending on the parameters in the selected Konwent potential, are investigated. Namely, the effects of the size ... -
Silver(I) Complexes Based on Oxadiazole-Functionalized a-Aminophosphonate: Synthesis, Structural Study, and Biological Activities
(2022)Two silver(I) complexes, bis{diethyl[(5-phenyl-1,3,4-oxadiazol-2-yl- N3: N4-amino) (4- trifluoromethylphenyl)methyl]phosphonate-(tetrafluoroborato- F)}-di-silver(I) and tetrakis-{diethyl [(5-phenyl-1,3,4-oxadiazol-2-yl- ... -
Simultaneous effects of anisotropy and internuclear distance on the D+ 2 complex-related self-polarization in quantum dots
(2023)In this study, we investigate the simultaneous effects of anisotropy and internuclear distance on the selfpolarization of the D+2 complex in quantum dots for different confinement sizes. Numerical calculations were carried ... -
Spin–Orbit and Zeeman Effects on the Electronic Properties of Single Quantum Rings: Applied Magnetic Field and Topological Defects
(2023)Within the framework of effective mass theory, we investigate the effects of spin–orbit interaction (SOI) and Zeeman splitting on the electronic properties of an electron confined in GaAs single quantum rings. Energies ... -
Structural, electronic, and spectroscopic study on 1,5‑methanoazocino[4,3‑b]indole synthesized by TFB‑based route
(Springer, 2021)This work proposed a new route to synthesizing pharmaceutical important molecules just in three steps. This synthetic route provides an economical way for synthetic chemistry to get the key products concerning the biochemical ... -
Strychnos alkaloids: total synthesis, characterization, DFT investigations, and molecular docking with AChE, BuChE, and HSA
(Elsevier, 2022)An efficient five steps, the protection-deprotection synthetic a novel synthetic routes to( ) noruleine ( )-uleine, are reported starting from tetrahydrocarbazole fused monoalkyl nitrile at C-2 position that is prepared ... -
Substituted naphthoxy-phthalonitrile derivatives: Synthesis, substituent effects, DFT, TD-DFT Calculations, antimicrobial properties and DNA interaction studies
(Elsevier, 2023)Herein, substituted-naphthol derivatives 4a–e were synthesized in two steps, namely the Diels Alder cycloaddition and Cu-catalyzed aromatization reactions, respectively. Then, pththalonitrile derivatives 7–12 have been ... -
Synthesis of thiophene derivatives: Substituent effect, antioxidant activity, cyclic voltammetry, molecular docking, DFT, and TD-DFT calculations
(Elsevier, 2022)The efficient pathway 6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate derivatives have been synthesized. Due to the promising biochemical reactivity, the bioactive agent synthesis in the frame of the thiophene ... -
Synthesis of thiophene derivatives: Substituent effect, antioxidant activity, cyclic voltammetry, molecular docking, DFT, and TD-DFT calculations
(Elsevier, 2022)The efficient pathway 6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate derivatives have been synthesized. Due to the promising biochemical reactivity, the bioactive agent synthesis in the frame of the thiophene ... -
Synthesis, antimicrobial activity and molecular docking study of benzyl functionalized benzimidazole silver(I) complexes
(2023)In this study, a series of N-functionalized benzimidazole silver(I) complexes were prepared and characterized by FT-IR, 1H, 13C{1H} NMR spectroscopy, and elemental analysis. Synthesized N-benzylbenzimidazole silver(I) ... -
Synthesis, characterization, antimicrobial and antibiofilm activity, and molecular docking analysis of NHC precursors and their Ag-NHC complexes
(2021)Microorganisms attach to surfaces and interfaces and form biofilms which create a sheltered area for host cell response. Therefore, biofilms provide troubles in fields such as medicine, food, and pharmaceuticals. Inhibition ... -
Synthesis, characterization, biological and DFT studies of chargetransfer complexes of antihyperlipidemic drug atorvastatin calcium with Iodine, Chloranil, and DDQ
(Elsevier, 2022)Extremely coloured charge-transfer complexes (CTCs) of antihyperlipidemic drug, atorvastatin calcium (ATC) acting as n-electron donor with the electron acceptors, namely, iodine as r-acceptor, 2,3,4,6-tetra chloro-1,4- ... -
Synthesis, identification, density functional and Hirshfeld surface studies of 2,20-disulfanediylbis(tetrahydro-4Hcyclopenta[ d][1,3,2]dioxaphosphole-2-sulfide)
(Wiley, 2021)The new compound 2,20-disulfanediylbis (tetrahydro-4H-cyclo penta[d][1,3,2] dioxaphosphole 2-sulfide), the dimeric form of 2-mercaptotetrahydro-4H-cyclopenta [d] [1,3,2] dioxaphosphole 2-sulfide, has been synthesized and ...