Effect of chlorine group position on adsorption behavior and corrosion inhibition of Chlorobenzylideneamino-5-methyl-2, 4-dihydro-1, 2, 4-triazole-3-thione Schiff bases: Experimental study

The corrosion inhibition and adsorption of 4-(n-Chlorobenzylideneamino)-5-methyl-2,4-dihydro-1,2,4-triazole-3-thione (n-CBAT) Schiff bases has been investigated on steel electrode in 1.0 M HCl by using weight loss, potentiodynamic polarization curves, and electrochemical impedance spectroscopy (EIS) methods. The results show that all n-CBAT are good inhibitors, and inhibition efficiency follows the order:4-CBAT <3-CBAT <2-CBAT. Polarization curves reveal that all studied inhibitors are mixed type. The adsorption of each inhibitor on mild steel surface obeys Langmuir adsorption isotherm. EIS spectra exhibit one capacitive loop and confirm the inhibitive ability. The effect of temperature on the corrosion behavior with addition of 1×10−3Mof n-CBAT added was studied in the temperature range 30–60◦C. The thermodynamic parameters activation were determined and discussed

Synthesis, physicochemical, thermal, and XRD/HSA interactions of mixed [Cu(Bipy)(Dipn)](X)2 complexes: DNA binding and molecular docking evaluation

Two water-soluble dicationic complexes, [Cu(bipy)(dipn)](BF4)2 (1) and [Cu(bipy)(dipn)](NO3)2 (2) (bipy = 2.2-bipyridine and dipn = dipropylenetriamine), were synthesized in high yields. The desired complexes were characterized by CHN-EA, UV–Vis, SEM, EDS, FT-IR, TGA, and XRD. The single-crystal XRD of [Cu(bipy)(dipn)](BF4)2 reflected that Cu(II) complex is formed in a distorted square pyramid configuration. The Hirshfeld surface analysis (HSA) confirmed more powerful atom–atom interaction, the hydrogen bonding in H…F, supporting the outcome of XRD. The influences of the CT-DNA/complexes were gathered by viscosity, CV, and electronic absorption measurements. The estimated binding constants (Kb) for 1 and 2 were 4.5 × 104 and 3.4 × 104 M−1, respectively. Complex 2 revealed slightly poorer DNA binding capability than 1. Eventually, the molecular docking of [Cu(bipy)(dipn)]+2 species was evaluated and demonstrated employing 1BNA-DNA segment.The authors appreciate the Deanship of Scientific Research at King Saud University for funding this research work through grant # RG-1440-141