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Investigations substituent effect on structural, spectral and optical properties of phenylboronic acids
(2021)
Ortho- and para-substituent arylboronic acid are investigated. Geometric structure and structural proper- ties of these compounds are done. IR and NMR spectrum are calculated for the spectral characterizations. Contour ...
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, ...
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, 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 ...
Synthesis, characterization, antimicrobial and antibiofilm activity, and molecular docking analysis of NHC precursors and their Ag-NHC complexes†
(The Royal Society, 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 ...
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 ...
Investigation of the Antimicrobial Agent Potential of 1,5-diketon Derivatives
(2021)
In this study 1,5-diketones were synthesized by adding of cyclohexzanone to five differtent calcone derivatives (1a-e) via di-1,4-Michael addition reaction. As a result the compounds with the best activity were 3a, 3b and ...
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 ...
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 ...