Browsing Matematik ve Fen Bilimleri Eğitimi Bölümü Makale Koleksiyonu by Access Type "info:eu-repo/semantics/openAccess"
Now showing items 1-20 of 55
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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, ... -
A novel series of tetrahydrothieno[2,3-c]pyridin-2-yl derivatives: fluorescence spectroscopy and BSA binding, ADMET properties, molecular docking, and DFT studies
(RSC Publishing, 2023)In this study, a series of substituted tetrahydrothieno[2,3-c]pyridin-2-yl (THTP) derivatives, i.e., C1–C3 and N1–N3, was synthesized in one step using 2-amino-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine- ... -
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 ... -
An efficient new method of ytterbium(III) triflate catalysis approach to the synthesis of substituted pyrroles: DFT, ADMET, and molecular docking investigations
(Elsevier, 2023)In this study, the one-pot synthetic methodology for the preparation of substituted pyrroles with diethyl acetylene-dicarboxylate is reported for the various pyrrole derivatives via the Trifimow synthesis process from ... -
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 ... -
Antimicrobial activities of bis-(N-alkylbenzimidazole)-cobalt(II) and zinc (II) complexes
(2023)Eight benzimidazole precursors (L), namely 1-allyl-benzimidazole, 1-methallyl-benzimidazole, 1-isopropyl-benzimidazole, 1-(3-methyloxetan-3-yl)methyl-benzimidazole, 1-allyl-5,6-dimethyl-benzimidazole, 1-methallyl-5,6- ... -
Approximation of the image of the $L_p$ ball under Hilbert-Schmidt integral operator
(De Gruyter, 14.04.2023)In this paper an approximation of the image of the closed ball of the space $L_p$ $(p>1)$ centered at the origin with radius $r$ under Hilbert-Schmidt integral operator $F( \cdot ):L_p\rightarrow L_q$, $\frac{1}{p}+\frac{1}{q}=1,$ ... -
Approximation of the image of the $L_p$ ball under Hilbert-Schmidt integral operator
(De Gruyter, 14.04.2023)In this paper an approximation of the image of the closed ball of the space $L_p$ $(p>1)$ centered at the origin with radius $r$ under Hilbert-Schmidt integral operator $F( \cdot ):L_p\rightarrow L_q$, $\frac{1}{p}+\frac{1}{q}=1,$ ... -
Approximations of the images and integral funnels of the $L_p$ balls under a Urysohn-type integral operator.
(Springer New York, 25.12.2022)Approximations of the image and integral funnel of a closed ball of the space $L_p$, $p>1$, under a Urysohn-type integral operator are considered. A closed ball of the space $L_p$, $p>1$, is replaced by a set consisting ... -
Approximations of the set of trajectories and integral funnel of the nonlinear control systems with $L_p$ norm constraints on the control functions
(Oxford University Press, 29.11.2022)In this paper, approximations of the set of trajectories and integral funnel of the control system described by non-linear ordinary differential equation with integral constraint on the control functions are considered. ... -
Benzimidazol-2-ylidene Silver Complexes: Synthesis, Characterization, Antimicrobial and Antibiofilm Activities, Molecular Docking and Theoretical Investigations
(2023)Five silver(I) complexes, namely chloro[1-methallyl-3-benzyl)benzimidazol-2-ylidene] silver (6), chloro[1-methallyl-3-(2,3,5,6-tetramethylbenzyl)benzimidazol-2-ylidene]silver (7), chloro[1- methallyl-3-(3,4,5-trimethox ... -
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 ... -
Computational Insights in Drug-likeness and ADMT Properties of -dienes Resemble of Geranial
(Dergipark, 2023)This research aims to analyze the drug development potential of geranial, a naturally occurring compound known for its medicinal properties, through in-depth ADMT (Absorption, Distribution, Metabolism, and Toxicity) ... -
Continuity of $L_p$ Balls and an Application to Input-Output Systems
(Pleiades Publishing, 24.02.2022)In this paper, the continuity of the set-valued map $p\rightarrow B_{\Omega, \mathcal{X},p}$, $p\in (1,+\infty)$, is proved where $B_{\Omega, \mathcal{X},p}$ is the closed ball of radius $r$ in the space $L_p(\Omega, ... -
Copper(II) chelates derived from an N,N,O-tridentate 2-pyridinecarboxaldehyde-N4-phenylsemicarbazone: Synthesis, spectral aspects, crystal structure, FMO and NBO analysis
(Elsevier, 2023)Seven novel Cu(II) complexes [Cu(HPySc)Cl2] (1), [Cu2(PySc)2(NO3)2]·H2O (2), [Cu(HPySc)(SO4)]·½H2O (3), [Cu2(PySc)2(OAc)2]·CH3OH (4), [Cu2(PySc)2Br2]·H2O (5), [Cu(PySc)(NCS)]·2H2O (6) and [Cu2(PySc)2(N3)2] (7) with ... -
Corrosion inhibition of steel using different families of organic compounds: Past and present progress
(2022)Application of organic compounds as corrosion inhibitors, particularly heterocyclic compounds, is one of the most economical and effective corrosion mitigation methods of steel alloys. These compounds become effective ... -
Cyanomethylation of 2,3,4,9-tetrahydro-1H-carbazol-1-one based on using two different reagents: Antioxidant activity and DFT studies
(Elsevier, 2022)C-2 and C-6 monoalkyl nitrile substituted reactant (1) , which constitute the tricyclic framework of car- bazole derivatives along with the substructure of the Strychnos alkaloids family, have been synthesized by using ... -
Design, synthesis, antimicrobial activity and molecular docking study of cationic bis‐benzimidazole‐silver(I) complexes
(2023)Two series of bis(1‐alkylbenzimidazole)silver(I) nitrate and bis(1‐alkyl‐5,6‐ dimethylbenzimidazole)silver(I) nitrate complexes, in which the alkyl substituent is either an allyl, a 2‐methylallyl, an isopropyl or a ... -
DFT computational study of trihalogenated aniline derivative’s adsorption onto graphene/fullerene/fullerene-like nanocages, X12Y12 (X = Al, B, and Y = N, P)
(Elsevier, 2022)Adsorption of 2,4,6-tribromoaniline (BA), 2,4,6-trifluoroaniline (FA) and 2,4,6-trichloroaniline (CA) onto the surface of coronene/fullerene/fullerene-like nanocages was investigated by theoretical calculations. Due to ... -
DYNAMICAL COMPLEXITIES IN A DISCRETE-TIME PREDATOR-PREY SYSTEM AS CONSEQUENCES OF THE WEAK ALLEE EFFECT ON PREY
(2023)In this paper, a two dimensional discrete-time predator-prey system with weak Allee effect, affecting the prey population, is considered. The existence of the positive fixed points of the system and topological classification ...