Bimetallic Fe/Mn nanoparticles and N-doped carbon nanotubes in FeMn@NCNT synergistically activate peroxymonosulfate to form SO ₄ ˙ ⁻ , ˙OH, O ₂ ˙ ⁻ and ¹ O ₂ for decomposing acetamiprid.

The dynamic process of a nucleophilic addition reaction has been investigated in graphene-molecule single-molecule junctions.

Precise time trajectories and detailed reaction pathways of the Diels-Alder reaction were directly observed using accurate single-molecule detection on an in situ label-free single-molecule electrical detection platform. This study demonstrates the well-accepted concerted mechanism and clarifies the role of charge transfer complexes with endo or exo configurations on the reaction path. An unprecedented stepwise pathway was verified at high temperatures in a high-voltage electric field. Experiments and theoretical results revealed an electric field–catalyzed mechanism that shows the presence of a zwitterionic intermediate with one bond formation and variation of concerted and stepwise reactions by the strength of the electric field, thus establishing a previously unidentified approach for mechanistic control by electric field catalysis.

The catalytic mechanisms of fluoroacetate dehalogenase (FAcD) toward substrates fluoroacetate and chloroacetate were studied by a combined quantum mechanics/molecular mechanics (QM/MM) method.