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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 ...
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 ...
Theoretical computation of normalised radii, density and global hardness as a function of orbital exponent
(Springer International Publishing, 21 Februar)
The recent work has an aim to establish a pivotal role of orbital exponent in the
normalized atomic radii, atomic density and atomic hardness. These three periodic
descriptors help to understand the real scenario of an ...
Equilibrium, thermodynamic, and kinetic modeling studies for the adsorptive removal of oxyanions from water
(TAYLOR & FRANCIS INC, DEC 2021)
Water is being contaminated by different oxyanions which have many negative effects on the human body. This study deals with the adsorptive removal of Cr2O7-2, AsO4-3, and ClO4-1 oxyanions from water using diethanolamino ...
A gossypol derivative as an efficient corrosion inhibitor for St2 steel in 1 M HCl + 1 M KCl: An experimental and theoretical investigation
(Journal of Molecular Liquids, 26 January)
Currently, there are several types of corrosion inhibitors were studied. The new type of corrosion inhibitor based
on a gossypol derivative was first introduced. The anti-corrosion performance of 6-aminopenicillanic acid ...
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 ...
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- ...
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, ...