Molybdenum-Containing Metalloenzymes and Synthetic Catalysts for Conversion of Small Molecules

Theoretical study of magnetic susceptibility and optical activity of small molecules containing one chiral center

In the first part of this work, correlation between optical activity and elements of magnetic susceptibility tensor (MST) for five classes of model small molecules containing a single chiral center has been studied using quantum computational techniques at DFT-B3LYP level of theory with 6-311G basis set. Several molecular properties are used to reduce the MST elements prior to the examination o...

The Oxidation of Toluene on Various Molybdenum-Containing Catalysts

The activities for the vapour-phase oxidation of toluene of various molybdenum-containing catalysts have been measured in a flow microreactor operating at 1 atm pressure. The catalysts comprised (a) unsupported crystalline MOO,, (b) MO oxide monolayers on A&O,, CeO,, TiO,, and ZrO, supports, and (c) Al-, Ce-, and Zr-molybdate salts. The rates of oxidation of toluene per unit surface area on the...

Molybdenum Nitride Catalysts

Effects of the synthesis parameters on the structural properties of molybdenum nitride catalysts, prepared by the temperatureprogrammed reaction of MoO3 with NH3, have been examined. Molybdenum trioxide was heated in flowing NH 3 through two linear heating segments (623 to 723 K then 723 to 973 K) with different space velocities in a 23 factorial design. The temperature limits for these heating...

Reaction Mechanisms of Metalloenzymes and Synthetic Model Complexes Activating Dioxygen Reaction Mechanisms of Metalloenzymes and Synthetic Model Complexes Activating Dioxygen

Evolutionary approaches for the discovery of functional synthetic small molecules*

Directed evolution is a powerful method for the laboratory discovery of nucleic acids and proteins with desired functional properties. A hallmark of this approach is the iterative translation, selection, amplification, and diversification of genetic information. The potential of evolutionary methods to impact the discovery of synthetic small molecules has recently been explored by a variety of ...