The family of nitrogenase enzymes catalyzes the reduction of atmospheric dinitrogen (N2) to ammonia under remarkably benign conditions of temperature, pressure, and pH. Therefore, the development of synthetic complexes or materials that can similarly...
Iron-sulfur (Fe-S) clusters are essential protein cofactors. In enzymes, they are present either in the rhombic [2Fe-2S] or the cubic [4Fe-4S] form, where they are involved in catalysis and electron transfer and in the biosynthesis of metal-containin...
The enzyme nitrogenase naturally hydrogenates N2 to NH3, achieved through the accumulation of H atoms on FeMo-co, the Fe7MoS9C(homocitrate) cluster that is the catalytically active site. Four intermediates, E1H1, E2H2, E3H3, and E4H4, carry these hyd...
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 combination of QM/MM approach with molecular dynamics (MD) simulation, otherw...
Sulfur is an essential element required for plant growth. It can be found as a thiol group of proteins or non-protein molecules, and as various sulfur-containing small biomolecules, including iron-sulfur (Fe/S) clusters, molybdenum cofactor (Moco), a...
Although the triple-decker complex [Cp*Fe(µ,η5:η5-P5)Mo(CO)3] (2) was first reported 26 years ago, its reactivity has not yet been explored. Herein, we report a new high-yielding synthesis of 2 and the isolation of its new polymorph (2&...
As a kind of high-performance tool material, the phase relationship and microstructure evolution of Fe-Mo-Co alloy during manufacturing processes deserve attention and study. In the present work, isothermal sections of the Fe-Mo-Co system at 800 and...
Introduction: the biological safety of dental biomaterials has been questioned in human studies. Material and Methods: Several heavy metals/oligoelements were compared by Inductive Coupled Mass Spectrometry (ICP-MS) in hair samples from 130 patients...
Classical xanthinuria is a rare autosomal recessive metabolic disorder caused by variants in the XDH (type I) or MOCOS (type II) genes. Thirteen Israeli kindred (five Jewish and eight Arab) and two isolated cases from Germany were studied between the...
Nanosized bimetallic PtMo, PtFe and trimetallic PtMoSn catalysts deposited on highly dispersed carbon black Vulcan XC-72 were synthesized from the cluster complex compounds PtCl(P(C6H5)3)(C3H2N2(CH3)2)Mo(C5H4CH3)(CO)3, Pt(P(C6H5)3)(C3N2H2(CH3)2)Fe(CO...
In an attempt to expand the library of M2B5 bicapped trigonal-bipyramidal clusters with different transition metals, we explored the chemistry of [Cp*WCl4] with metal carbonyls that enabled us to isolate a series of mixed-metal tungstaboranes with an...
The triple condensation of cyclopentanone or indanone to trindane (C15H18) or truxene (C27H18), respectively, provides convenient access to molecular skeletons on which major fragments of the prototypical fullerene C60 can be assembled. In particular...
The conversion of molecular nitrogen to ammonia is a key biological and chemical process and represents one of the most challenging topics in chemistry and biology. In Nature the Mo-containing nitrogenase enzymes perform nitrogen ‘fixation’ via an ir...