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Now showing items 41-50 of 100
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 ...
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- ...
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 ...
Fluorinated carbon and boron nitride fullerenes for drug Delivery: Computational study of structure and adsorption
(Elsevier, 1 May 2022)
We applied a genetic algorithm combined with the B3LYP/6-311G** approach to determine the structures
of low-energy isomers of partially fluorinated fullerenes, the number of which is combinatorically huge.
We found that ...
Novel Ag(I)-NHC complex: synthesis, in vitro cytotoxic activity, molecular docking, and quantum chemical studies
(2022)
The importance of organometallic complexes in
cancer biology has attracted attention in recent years. In
this paper, we look for the in vitro cytotoxic capability of
novel benzimidazole-based N-heterocyclic carbene ...
Antimicrobial, anti-biofilm and cytotoxic properties of methallyl functionalized benzimidazolium-derived Ag(I)-Nheterocyclic carbene complexes
(2022)
Purpose: To investigate the antimicrobial, antibiofilm, and cytotoxicity properties of methallyl substituted
benzimidazolium-based, silver-bound N-heterocyclic carbene (Ag(I)-NHC) complexes, with respect to
their potential ...
ALLYL FUNCTIONALIZED BENZIMIDAZOLIUM-DERIVED AG(I)-N-HETEROCYCLIC CARBENE COMPLEXES: ANTI-BIOFILM AND ANTIMICROBIAL PROPERTIES
(2022)
Microorganisms in the biofilm structure cause severe health problems and economic losses. Therefore, it is
very important to design and screen anti-biofilm molecules that can solve the related problems. This paper is
aimed ...
A benzimidazolium salt as effective corrosion inhibitor against the corrosion of mild steel in acidic medium: experimental and theoretical studies
(2022)
A new benzimidazolium salt (1-Allyl-3-(2,3,5,6-tetramethylbenzyl)-
5,6-dimethylbenzimidazoliumchloride) is characterized by using 1H
NMR and 13C(1H) NMR spectroscopies. The corrosion inhibition
performance of benzimidazolium ...
Investigation of linear and nonlinear optical absorption coefficients and refractive index changes of a zigzag quantum well with structure parameters and applied external fields
(Elsevier, 2022)
In this study, we have investigated some linear and nonlinear optical properties of GaAs/GaAlAs zigzag quantum well structures under different electric and magnetic field intensities. We also examined the effect of adjustable ...
The nonlinear optical properties of GaAs/GaAlAs triple quantum well: Role of the electromagnetic fields and structural parameters
(ELSEVIER, 2022)
Being relevant to the field of device applications, multiple semiconductor quantum wells are systems that exhibit remarkable optical and electronic properties. These can be properly tuned by suitably modifying the composition, ...