Nitrogenase is the enzyme that catalyzes biological N2 reduction to NH3. This enzyme
achieves an impressive rate enhancement over the uncatalyzed reaction. Given the high …

The reduction of dinitrogen to ammonia by nitrogenase reflects a complex choreography
involving two component proteins, MgATP and reductant. At center stage of this process …

Abstract Electrochemical CO 2 reduction (CO 2 R) is an attractive option for storing
renewable electricity and for the sustainable production of valuable chemicals and fuels. In …

Reduction of N2 by nitrogenases occurs at an organometallic iron cofactor that commonly
also contains either molybdenum or vanadium. The well-characterized resting state of the …

Nitrogenase is the only enzyme capable of reducing N2 to NH3. This challenging reaction
requires the coordinated transfer of multiple electrons from the reductase, Fe-protein, to the …

Nitrogenases are responsible for biological nitrogen fixation, a crucial step in the
biogeochemical nitrogen cycle. These enzymes utilize a two-component protein system and …

The multiscaling quantum mechanics/molecular mechanics (QM/MM) approach was
introduced in 1976, while the extensive acceptance of this methodology started in the 1990s …

The ammonia (NH3) synthesis industry is significant for many aspects of human progress
and the global economy, especially in the fields of fertilizers, hydrocarbon-free energy …

Bridging iron hydrides are proposed to form at the active site of MoFe‐nitrogenase during
catalytic dinitrogen reduction to ammonia and may be key in the binding and activation of N2 …

Three genetically distinct, but structurally similar, isozymes of nitrogenase catalyze
biological N2 reduction to 2NH3: Mo-, V-, and Fe-nitrogenase, named respectively for the …