Matematik ve Fen Bilimleri Eğitimi Bölümü: Recent submissions
Now showing items 81-100 of 114
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Energy spectrum and interlevel transitions within the conduction band of a D+ 2 complex confined in a spherical quantum dot
(2022)In this work, we have performed a theoretically study on the energy spectrum, binding energy and interlevel transitions within the conduction band of a D+ 2 complex confined in a spherical quantum dot with finite ... -
Optical Properties of Cylindrical Quantum Dots with Hyperbolic-Type Axial Potential under Applied Electric Field
(2022)In this paper, we have researched the electronic and optical properties of cylindrical quantum dot structures by selecting four different hyperbolic-type potentials in the axial direction under an axially-applied electric ... -
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 ... -
Antimicrobial and antibiofilm activities and bovine serum albumin binding properties of benzimidazolium derivative NHC salts and their Ag(I)-NHC complexes
(2022)Benzimidazole type N-heterocyclic carbene molecules and their metal complexes have well-known biological activity. Elemental silver and silver complexes also have antibacterial and antifungal activity. In this study, ... -
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- ... -
Antioxidant activity, enzyme inhibition, electrochemical and theoretical evaluation of novel PEPPSI type N-heterocyclic carbene complexes
(2022)properties since they were first isolated. Pyridine is also found in many natural products and is included in the content of many pharmaceutical molecules. Palladium complexes containing two halogens, a pyridine and an ... -
New Hybrid (E)-4-((pyren-1-ylmethylene)amino)-N-(thiazol- 2-yl)benzenesulfonamide as a Potential Drug Candidate: Spectroscopy, TD-DFT, NBO, FMO, and MEP Studies
(Wiley, 2021)A novel pyrene-sulfathiazole-based potential drug candidate 3 was designed, successfully synthesized by a condensation reaction of pyrenecarboxaldehyde (1) with sulfathiazole (2) in good yield, and fully characterized ... -
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 ... -
A combined molecular dynamic simulation, DFT calculations, and experimental study of the eriochrome black T dye adsorption onto chitosan in aqueous solutions
(Elsevier, 2021)This study aims to evaluate and understand the adsorption of eriochrome black T (EB) by chitosan extracted from local shrimp shells under different experimental conditions. Chitosan samples were characterized by XRD, ... -
Adsorption of Eriochrome Black T on the chitin surface: Experimental study, DFT calculations and molecular dynamics simulation
(Elsevier, 2021)In this study, chitinwith highmolecularweightwas extracted fromshrimp shells and characterized by XRD, FTIR, and SEM. The solid was investigated in Eriochrome black T dye (EB) adsorption in aqueous solution. Experimental results ... -
Anticorrosive and antioxidant effect of the aqueous extract of the leaves, flowers, and stems of Cistus monspeliensis L: Experimental and computational study
(Elsevier, 2021)The objective of this study is to contribute to the promotion of Cistusmonspeliensis L (CM) plant as a green inhibitor of mild steel in a hydrochloric acid solution that behaves as a source for ecological guarantee high ... -
Carbazole derivatives: Synthesis, spectroscopic characterization, antioxidant activity, molecular docking study, and the quantum chemical calculations
(Elsevier, 2021)A various carbazole derivativeswere synthesized for the synthesis 2,3-Dihydro-1H-carbazol-4(9H)-one O-acetyl oxime (3), ethyl 2-(2,3,4,9-tetrahydrospiro[carbazole-1,2 -[1,3]dithiolane]-2-yl)acetate (5), 2- hydroxyethyl ... -
Hydroxy phenyl hydrazides and their role as corrosion impeding agent: A detail experimental and theoretical study
(Elsevier, 2021)This study presents synthesis of environmentally benign corrosion inhibitors, hydroxy acetophenone derivative namely, N′-(1-(2-hydroxyphenyl) ethylidene) acetohydrazide (ATOH), N′-(1-(2-hydroxyphenyl) ethylidene) benzohydrazide ... -
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 ... -
Two empirical formulae for estimating standard entropy of inorganic ionic solids and a possible connection between two associated electronic structure principles
(Elsevier, 2021)Two empirical formulae for estimating the standard entropies of some inorganic ionic solids are proposed. Linear relations are suggested between the standard entropy and the cube root of the formula unit volume as well ... -
The composite microbeads of alginate, carrageenan, gelatin, and poly(lactic-co-glycolic acid): Synthesis, characterization and Density Functional Theory calculations
(Elsevier, 2021)Binary (AC, AG), ternary (ACG, ACP, AGP), quaternary (ACGP) composite beads of alginate (A), carrageenan (C), gelatin (G), and poly (lactic-co-glycolic acid) (P) were prepared. The dried beads had a 700 μm average diameter. ... -
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 ... -
Antimicrobial activity, inhibition of biofilm formation, and molecular docking study of novel Ag-NHC complexes
(2021)In this study, we reported the synthesis of a new series of Silver(I)-N-heterocyclic carbene complexes which were obtained from the corresponding new N-heterocyclic carbene (NHC) precursors. All new compounds were ... -
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 ... -
Synthesis, in vitro anticancer activities, and quantum chemical investigations on 1,3-bis-(2-methyl-2-propenyl)benzimidazolium chloride and its Ag(I) complex
(2021)1,3-Bis-(2-methyl-2-propenyl)benzimidazolium chloride and its Ag(I) complex are synthesized and the structures are elucidated using spectroscopies techniques. The molecular and crystal structures of the benzimidazolium ...