Search results for "Catalysis"
showing 10 items of 5944 documents
Theoretical Studies of the Self Cleavage Pistol Ribozyme Mechanism
2021
AbstractRibozymes are huge complex biological catalysts composed of a combination of RNA and proteins. Nevertheless, there is a reduced number of small ribozymes, the self-cleavage ribozymes, that are formed just by RNA and, apparently, they existed in cells of primitive biological systems. Unveiling the details of these “fossils” enzymes can contribute not only to the understanding of the origins of life but also to the development of new simplified artificial enzymes. A computational study of the reactivity of the pistol ribozyme carried out by means of classical MD simulations and QM/MM hybrid calculations is herein presented to clarify its catalytic mechanism. Analysis of the geometries…
Ammonia Activation by a Nickel NCN-Pincer Complex featuring a Non-Innocent N-Heterocyclic Carbene: Ammine and Amido Complexes in Equilibrium
2015
A Ni0-NCN pincer complex featuring a six-membered N-heterocyclic carbene (NHC) central platform and amidine pendant arms was synthesized by deprotonation of its NiII precursor. It retained chloride in the square-planar coordination sphere of nickel and was expected to be highly susceptible to oxidative addition reactions. The Ni0 complex rapidly activated ammonia at room temperature, in a ligand-assisted process where the carbene carbon atom played the unprecedented role of proton acceptor. For the first time, the coordinated (ammine) and activated (amido) species were observed together in solution, in a solvent-dependent equilibrium. A structural analysis of the Ni complexes provided insig…
Selective Encapsulation and Enhancement of the Emission Properties of a Luminescent Cu(I) Complex in Mesoporous Silica
2018
Structural and surface characterization of the polycrystalline system CrxOy · TiO2 employed for photoreduction of dinitrogen and photodegradation of …
1992
The polycrystalline system CrxOy-TiO2, used as a catalyst for photoreactions, was studied by X-ray diffractometric method, visible-ultraviolet diffuse reflectance and infrared spectroscopic methods, surface area determination, and porosimetry to characterize its structural and surface features. Two series of catalysts were prepared by two different methods, namely by coprecipitation and by impregnation. The first series was tested as photocatalysts for the dinitrogen photoreduction in a gas-solid regime and for the phenol photodegradation in a liquid-solid regime. The results indicate that the interaction of chromium ions with OH groups modifies the surface properties of the supports and co…
Influence of the preparative route on the properties of WOx–ZrO2 catalysts: A detailed structural, spectroscopic, and catalytic study
2007
Abstract Two series of tungstated zirconia (WZ) solid acids covering a wide range of tungsten surface densities ( δ, W at/nm2 ) were prepared by nonconventional impregnation and coprecipitation routes, leading to samples with enhanced surface area ( ∼ 70 – 120 m 2 / g ) on annealing at 973–1073 K. The materials were thoroughly characterized by N2 physisorption , XRD, Raman, XPS, H 2-TPR, and DR UV–vis spectroscopy. The catalytic behavior of the Pt-promoted WZ catalysts (1 wt% Pt) was evaluated for the hydroconversion of n-hexadecane used as model feed representative of Fischer–Tropsch waxes. Both series of catalysts displayed a pronounced maximum in the reaction rate and a minimum in the se…
The Unusual Photochemistry of Dendrimers with an Anthracene Core
2000
ChemInform Abstract: Enantioselective Palladium-Catalyzed Oxidative β,β-Fluoroarylation of α,β-Unsaturated Carbonyl Derivatives.
2016
The site-selective palladium-catalyzed three-component coupling of deactivated alkenes, arylboronic acids, and N-fluorobenzenesulfonimide is disclosed herein. The developed methodology establishes a general, modular, and step-economical approach to the stereoselective β-fluorination of α,β-unsaturated systems.