Novel spirooxindole-triazole derivatives: unveiling [3+2] cycloaddition reactivity through molecular electron density theory and investigating their potential cytotoxicity against HepG2 and MDA-MB-231 cell lines.

A novel analogue of hybrid spirooxindoles was synthesized employing a systematic multistep synthetic approach. The synthetic protocol was designed to obtain a series of spirooxindole derivatives incorporating triazolyl--triazine framework via [3 + 2] cycloaddition (32CA) reaction of azomethine ylide ( with the corresponding chalcones . Unexpectedly, the reaction underwent an alternate route, leading to the cleavage of the s-triazine moiety and yielding a series of spirooxindole derivatives incorporating a triazole motif.

Experimental and Computational Anticorrosion Behaviors of Pyrazole -Triazine/anilino-morpholino Derivatives for Steel in Acidic Solutions.

The corrosion inhibition of C-steel by two -triazine/morpholino-anilino-pyrazole derivatives, namely, 4-(3,5-dimethyl-1-pyrazol-1-yl)-6-morpholino--phenyl-1,3,5-triazin-2-amine () and -(4-bromophenyl)-4-(3,5-dimethyl-1-pyrazol-1-yl)-6-morpholino-1,3,5-triazin-2-amine () was investigated by impedimetric and potentiometric studies. It was found that ( and () acted as cathodic-type corrosion inhibitors that retard the hydrogen evolution reaction. The percent corrosion inhibition, 98.

Bis(dimethylpyrazolyl)-aniline--triazine derivatives as efficient corrosion inhibitors for C-steel and computational studies.

4,6-Bis(3,5-dimethyl--pyrazol-1-yl)--phenyl-1,3,5-triazin-2-amine (), -(4-bromophenyl)-4,6-bis(3,5-dimethyl--pyrazol-1-yl)-1,3,5-triazin-2-amine () and 4,6-bis(3,5-dimethyl--pyrazol-1-yl)--(4-methoxyphenyl)-1,3,5-triazin-2-amine () were synthesized and characterized. Their corrosion inhibition of carbon C-steel in 0.25 M HSO was studied by electrochemical impedance.

Chiral Recognition of Amino Acids Using CC2 Porous Organic Cages.

Enantiomers have the same physical properties but different chemical properties due to the difference in the orientation of groups in space and thus Chiral discrimination is quite necessary, as an enantiomer of drug can have lethal effects. In this study, we used the CC2 cage for chiral discrimination of amino acids using density functional theory. The results indicated the physisorption of amino acids in the central cavity of the cage.

Covalent Triazine Framework CN as an Electrochemical Sensor for Hydrogen-Containing Industrial Pollutants. A DFT Study.

Industrial pollutants pose a serious threat to ecosystems. Hence, there is a need to search for new efficient sensor materials for the detection of pollutants. In the current study, we explored the electrochemical sensing potential of a CN sheet for H-containing industrial pollutants (HCN, HS, NH and PH) through DFT simulations.