A novel model for prediction of stability constants of the thiosemicarbazone ligands with different types of toxic heavy metal ions using structural parameters and multivariate linear regression method.

A novel model is presented for reliable estimation of the stability constants of the thiosemicarbazone ligands with different types of toxic heavy metal ions (log β) in an aqueous solution, which has wide usage in environmental safety and ecotoxicology applications. The biggest reported data of log β for 120 metalthiosemicarbazone complexes are used for deriving and testing the novel model. In contrast to available methods where they need the two-dimensional (2D) and three-dimensional (3D) complex molecular descriptors as well as expert users and computer codes, the novel correlation uses four additive and two non-additive structural parameters of thiosemicarbazone ligands.

Approach for determination of detonation performance and aluminum percentage of aluminized-based explosives by laser-induced breakdown spectroscopy.

Energetic materials containing aluminum powder are hazardous compounds, which have wide applications as propellants, explosives, and pyrotechnics. This work introduces a new method on the basis of the laser-induced breakdown spectroscopy technique in air and argon atmospheres to investigate determination of aluminum content and detonation performance of 1,3,5-trinitro-1,3,5-triazine (RDX)-based aluminized explosives. Plasma emission of aluminized RDX explosives are recorded where atomic lines of Al, C, H, N, and O, as well as molecular bands of AlO and CN are identified.