Click synthesis, anticancer activity, and molecular docking investigation of some functional 1,2,3-triazole derivatives

1,2,3-triazole skeleton is a privileged building block for the discovery of new promising anticancer agents. In this report, new 1,4-disubstituted 1,2,3-triazoles with the bioisoster triazole moiety were straightforwardly prepared under copper-catalyzed azide-alkyne [3+2] cycloaddition reactions (CuAAC) regime using a variety of both functional organic azides and terminal alkynes. The resulting functional 1,4-disubstituted 1,2,3-triazole compounds were fully characterized and subsequently tested for their antiproliferative activity against four different cancer cell lines. The cytotoxicity tests carried out with these 1,2,3-triazole derivatives show average IC50 values ranging from 15 to 50…

A combined computational and experimental study on the mild steel corrosion inhibition in hydrochloric acid by new multifunctional phosphonic acid containing 1,2,3-triazoles

Two triazole derivatives with phosphonic acid as pendent group, namely [3-(4-phenyl-[1–3]triazol-1-yl)-propyl]-phosphonicaciddiethylester (PTP) and [3-[4-(4-dimethylamino-phenyl)-[1–3]triazol-1-yl]-propyl]-phosphonic acid diethylester (DMPTP) were synthesized and fully characterized using NMR spectroscopy, Mass spectrometry, Infra-Red (FT-IR) spectroscopy and elemental analysis. The synthesized multifunctional heterocycles were investigated to inhibit the corrosion of mild steel in acidic solution HCl (1 M) by electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP) and weight loss measurements. The results of the different corrosion measurement techniques are in goo…

Towards a deeper understanding of the inhibition mechanism of a new 1,2,3-triazole derivative for mild steel corrosion in the hydrochloric acid solution using coupled experimental and theoretical methods

Abstract The corrosion inhibition effect of a new synthesized heterocycle 1,2,3-triazole, namely(1-p-tolyl-1H-1,2,3-triazol-4-yl) methanol (TTM) was studied in 1 M hydrochloric acid solution by using both experimental and theoretical techniques. The inhibitory action of the TTM was investigated by potentiodynamic polarization (PDP) at various temperatures (298–333 K). PDP experiments revealed that the TTM behaved as mixed type inhibitor by decreasing both anodic and cathodic corrosion densities. Electrochemical impedance spectroscopy (EIS) measurements confirmed that the studied inhibitor can suppress mild steel corrosion effectively in acidic solution with an inhibition efficiency of 90% a…

Systematic investigation of the adsorption and inhibition properties of a new clickable 1,2,3‐triazole compound for mild steel in 1 M HCl medium

An exploration of corrosion inhibition of mild steel in sulphuric acid solution through experimental study and Monte Carlo simulations

Abstract4-[4-(1H-imidazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl]methylbenzophenone (ITBP) and 4[4-(1H-1,2,4-triazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl]methylbenzophenone (TTBP) are synthesized as new ...

Potential use of activated carbon derived from Persea species under alkaline conditions for removing cationic dye from wastewaters

Abstract The use of Persea americana has been studied as an alternative source of activated carbon for the removal of dyes from wastewater. Chemical activation using phosphoric acid was employed for the preparation of the activated carbon (C-PAN). The BET surface area and the total pore volumes were found to be 1593 m2/g and 1.053 cm3/g, respectively. This study investigates the effect of some parameters like, dye concentration, adsorbent dose, contact time and pH for the best comprehension of the adsorption manner. Adsorption kinetic follows pseudo-second order kinetic model. Langmuir and Freundlich isotherms models were used to analyze the adsorption equilibrium data and the best fits to …

Corrosion inhibition performance of a structurally well-defined 1,2,3-triazole derivative on mild steel-hydrochloric acid interface

Abstract In the present work, a new 1,4-disubstituted-1,2,3-triazole product, named 4-[1-(4-methoxy-phenyl)-1H-[1,2,3]triazol-4-ylmethyl]-morpholine (MPTM) was successfully synthesized under click chemistry regime. The structure of the new compound that has a rigid triazole moiety and a flexible morpholine ligand has been characterized using 1H NMR, 13C NMR, HRMS, and FTIR spectroscopy. Its inhibition performance for mild steel in acidic medium 1 M HCl has been studied by utilizing a combination of experimental, spectroscopic and computational methods. The electrochemical characterization was carried out by a gravimetric study, electrochemical impedance spectroscopy (EIS), and potentiodynam…

Use of response factorial design for process optimization of basic dye adsorption onto activated carbon derived from Persea species

Abstract Full factorial design is a powerful and efficient mathematical approach widely applied in the optimization of response. The important parameters which affect the removal efficiency of methylene blue such temperature, initial pH of the solution, concentration and adsorbent dosage were optimized. They coded as A, B, C and D, consecutively, and were investigated at two levels (+ 1 and − 1). A linear mathematical model representing the influence of the different variables and their interactions was obtained. Main effect, Normal probability plot of residuals, analysis of variance (ANOVA), surface plots, and contour plots were used to study the effects and interaction effects between ope…

Removal of Basic Blue 41 dyes using Persea americana-activated carbon prepared by phosphoric acid action

Adsorption study of Basic Blue 41 dye onto activated carbon from Persea americana nuts with phosphoric acid activation was achieved. The effect of operating parameters, the effect of pH (2–12), adsorbent amount (5–30 mg/50 mL), dye concentration (25–125 mg/L), contact time (0–200 min) and temperature (298–323 K), on the adsorption capacity was examined. The experimental isotherm data were analyzed using Langmuir and Freundlich models, which showed that the best fit was achieved by the Langmuir model with the maximum monolayer adsorption capacity at 625 mg/g. The adsorption kinetic process followed pseudo-second-order kinetics. Thermodynamic evaluation showed that the process was endothermic…

An Overview on the Performance of 1,2,3-Triazole Derivatives as Corrosion Inhibitors for Metal Surfaces

This review accounts for the most recent and significant research results from the literature on the design and synthesis of 1,2,3-triazole compounds and their usefulness as molecular well-defined corrosion inhibitors for steels, copper, iron, aluminum, and their alloys in several aggressive media. Of particular interest are the 1,4-disubstituted 1,2,3-triazole derivatives prepared in a regioselective manner under copper-catalyzed azide-alkyne cycloaddition (CuAAC) click reactions. They are easily and straightforwardly prepared compounds, non-toxic, environmentally friendly, and stable products to the hydrolysis under acidic conditions. Moreover, they have shown a good efficiency as corrosi…

Experimental and theoretical study using DFT method for the competitive adsorption of two cationic dyes from wastewaters

Abstract The adsorption of cationic dyes, Basic Yellow (BY28) and Methylene Blue (MB) on a new activated carbon from medlar species were studied in both single and binary system. Some experimental parameters, namely, pH, amount of adsorbent and contact time are studied. Quantum chemical results indicate that the adsorption efficiency was directly related to the dye electrophilicity power. Some theorical parameters were calculated and proved that MB is more electrophilic than BY28, than greatest interaction with surface sites. Kinetic study showed that the adsorption follows the pseudo-second-order model and Freundlich was the best model to describe the phenomenon in the single and binary sy…