Ligand engineering of tetra N-heterocyclic carbenes for boosting catalytic aziridination.

A comprehensive computational study on the underlying reactivity of iron tetra-NHC complexes for C + N aziridination catalysis is presented. A library of 18 unique iron tetra-NHC complexes was constructed, and a computational screening was performed on the reaction barriers associated with the rate-determining step (formation of an open chain radical intermediate). Thermodynamic barriers were computed along with a variety of steric and electronic properties, including the percentage of buried volume, orbital energies and ETS-NOCV analysis, which were used to identify key characteristics related to reactivity.

Evaluation of silver nanoparticles attached to methylene blue as an antimicrobial agent and its cytotoxicity.

Antibiotic resistance is a great public health challenge of our time. In this work, we have synthesized silver nanoparticles (Ag NPs) using pulsed liquid ablation in different medium of growth and later combined with methylene blue (MB) to evaluate its potential as an effective photodynamic therapy agent. Ag NPs were synthesized by pulsed laser ablation technique in Polyvinylpyrrolidone (PVP), citrate, and Polyvinyl alcohol (PVA).