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Experimental and theoretical investigation of inhibition behavior of 2-((4-(dimethylamino)benzylidene)amino)benzenethiol for carbon steel in HCl solution
(2021)
2-((4-(dimethylamino) benzylidene)amino)benzenethiol (DBB) compound has been synthesized and tested for
prevention of carbon steel corrosion in HCl at different temperatures. The research was carried out using ...
N-substituted benzenesulfonamide compounds: DNA binding properties and molecular docking studies
(Taylor&Francis, Mart 2021)
Benzenesulfonamide-based imine compounds 5–8 were prepared and screened for their binding properties to the FSdsDNA. The structures of synthesized compounds were elucidated by the spectroscopic and analytical methods. ...
Could Peganum harmala be effective in the treatment of COVID-19?
(2021)
BACKGROUND: Predominant molecules in Peganum harmala leaves were detected using gas
chromatography-mass spectrometry (GC-MS). Based on the results of this analysis, most alkaloids,
fl avonoids and triterpenoids in found ...
A DFT study on OH radical scavenging activities of eriodictyol, Isosakuranetin and pinocembrin
(2021)
Flavonoids are natural compounds with antioxidant properties that have positive effects on human health, which reduce toxic effects of reactive oxygen species (ROS) and partially oxidative damage. In the work, the density ...
Investigations of structural, spectral (IR, 1H‑, 9F‑, 11B‑, 13C‑, 15 N‑, 17O‑NMR) and anticancer properties of 5FU@B12N12 complexes
(2021)
B12N12 nanocage was selected as a drug carrier for 5-fluorouracil (5FU). Both compounds were optimized B3LYP/6–
31 + G(d) level in the water. Electrophilic/nucleophilic attack regions and the appropriate interaction sites ...
Computational structure characterization, nonlinear optical properties and antitumor activities of Nickel(II) complexes containing alkoxy-derived dicyandiamide ligands
(NISCAIR, 2021)
[Ni(dcda-O-Me)2]
2+ (1), [Ni(dcda-O-Et)2]
2+ (2), [Ni(dcda-O-nPr)2]
2+ (3), and [Ni(dcda-O-nBu)2]
2+ (4) complexes
(dcda-O-R is dicyandiamide ligands with alkoxy-derived) have been optimized in the gas phase at ...
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 ...
Experimental and Computational Investigation for (E)-2-hydroxy-5-(2- benzylidene) Aminobenzoic Acid Schiff Base as a Corrosion Inhibitor for Copper in Acidic Media
(2021)
The corrosion behavior of copper in 1 M HCl in the absence and presence of Hha ((E)-2-hydroxy-5-(2-benzylidene)
aminobenzoic acid) has been investigated experimentally and computationally. In this way, the electrochemical ...
Quantum chemical and molecular dynamic simulation studies for the identification of the extracted cinnamon essential oil constituent responsible for copper corrosion inhibition in acidified 3.0 wt% NaCl medium
(Elsevier, Şubat 2021)
The influence of the extracted cinnamon essential oil (CiO) on the copper corrosion resistance in acidified 3.0 wt% NaCl (pH = 2) medium was investigated by using electrochemical measurements and Scanning Electron Microscopy ...
Biologically active phthalocyanine metal complexes: Preparation, evaluation of α-glycosidase and anticholinesterase enzyme inhibition activities, and molecular docking studies
(Wiley, mart 2021)
In this study, preparation, as well as investigation of α-glycosidase and cholinesterase (ChE) enzyme inhibition activities of furan-2-ylmethoxy-substituted compounds 1–7, are reported. Peripherally, tetra-substituted ...