MnO/TiO-Catalyzed ozonolysis: enhancing Pentachlorophenol degradation and understanding intermediates.

Pentachlorophenol is a pesticide widely known for its harmful effects on sewage, causing harm to the environment. In previous studies, our group identified adsorption as a crucial factor in catalytic ozonation processes, and subsequent observations revealed the catalyst's role in reducing toxicity during degradation. In this research, we quantified organochlorine intermediates and low molecular weight organic acids generated under optimal pH conditions (pH 9), with and without the catalyst.

A Theoretical Study on the Mechanisms Involved in Catalytic Dehydrogenation and Dehydration of Isopropanol on SrTiO.

The dehydrogenation and dehydration of isopropanol on the SrO and TiO terminated surfaces, of the SrTiO perovskite, is addressed by periodic DFT calculations in order to shed light on the involved mechanisms. The results show that the dehydrogenation occurs through a mechanism involving the dissociative adsorption of the alcohol on the SrO terminated surface, followed the nucleophilic attack of a hydride species on the previously adsorbed hydrogen atom to form molecular hydrogen and the corresponding carbonyl compound. The dehydration instead occurs by the molecular adsorption of the alcohol on the TiO terminated surface, followed by various possible E1 elimination pathways leading to the formation of the corresponding alkene and a water molecule.

Catalytic Selective Oxidation of β-O-4 Bond in Phenethoxybenzene as a Lignin Model Using (TBA)[PMoVO] Nanocatalyst: Optimization of Operational Conditions.

The catalytic oxidation of phenethoxybenzene as a lignin model compound with a β-O-4 bond was conducted using the Keggin-type polyoxometalate nanocatalyst (TBA)[PMoVO]. The optimization of the process's operational conditions was carried out using response surface methodology. The statistically significant variables in the process were determined using a fractional factorial design.

Influence of LiTaO (0001) and KTaO (001) Perovskites Structures on the Molecular Adsorption of Styrene and Styrene oxide: A Theoretical Insight by Periodic DFT Calculations.

In this research, the adsorption of styrene and styrene oxide, both biomass derivatives, on KTaO (001) and LiTaO (0001) perovskite-like structures was studied from a theoretical point of view. The study was carried out using density functional theory (DFT) calculations. The adsorption phenomenon was deeply studied by calculating the adsorption energies (E ), adsorbate-surface distances (Å) and evaluating the differences of charge density and charge transfer (ΔCT).

A rationale for the unlike potency of avibactam and ETX2514 against OXA-24 β-lactamase.

Diazabicyclooctanone inhibitors such as ETX2514 and avibactam have shown enhanced inhibitory performance to fight the antibiotic resistance developed by pathogens. However, avibactam is ineffective against Acinetobacter baumannii infections, unlike ETX2514. The molecular basis for this difference has not been tackled from a molecular approach, precluding the knowledge of relevant information.

Black Trumpet Mushroom-like ZnS incorporated with CuP: Noble metal free photocatalyst for superior photocatalytic H production.

The development of the efficient photocatalysts with improved photoexcited charge separation and transfer is an essential for the effective photocatalytic H generation using light energy. So far, owing to the unique properties and characteristics, the transition metal phosphides (TMPs) have been proven to be high performance co-catalysts to replace some of the classic precious metal materials in the photocatalytic water splitting. In the present work, we report a novel copper phosphide (CuP) as a co-catalyst to form a well-designed fabricated photocatalyst with blacktrumpet mushroom-like ZnS semiconductor for the first time.

The Effect of the ZrO Loading in SiO@ZrO-CaO Catalysts for Transesterification Reaction.

The effect of the ZrO loading was studied on spherical SiO@ZrO-CaO structures synthetized by a simple route that combines the Stöber and sol-gel methods. The texture of these materials was determined using S by N adsorption, where the increment in SiO spheres' surface areas was reached with the incorporation of ZrO. Combined the characterization techniques of using different alcoholic dissolutions of zirconium (VI) butoxide 0.

Magnetic FeO@SiO-Pt and FeO@SiO-Pt@SiO Structures for HDN of Indole.

The effect of a second porous SiO shell in the activity and selectivity of the FeO@SiO-Pt catalyst in the hydrodenitrogenation of indole is reported. The double FeO@SiO-Pt@SiO structure was prepared by coating FeO nanoparticles with tetraethyl orthosilicate (TEOS) with a further impregnation of 1.0 wt.

Novel Route to Obtain Carbon Self-Doped TiO Mesoporous Nanoparticles as Efficient Photocatalysts for Environmental Remediation Processes under Visible Light.

Titanium dioxide materials were synthesized using two different methods. The samples were characterized by X-ray diffraction (XRD), UV-Visible diffusion reflectance spectroscopy (UV-Vis DR), Raman spectroscopy, N adsorption/desorption, scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), transmission electron spectroscopy (TEM) and X-ray photoelectron spectroscopy (XPS). Although both kind of materials were found to have mesoporous structure and anatase crystalline phase, one of them was obtained from a synthesis method that does not involve the use of surfactants, and therefore, does not require calcination at high temperatures.

Mesoporous Palladium N,N'-Bis(3-Allylsalicylidene)o-Phenylenediamine-Methyl Acrylate Resins as Heterogeneous Catalysts for the Heck Coupling Reaction.

Palladium N,N'-bis(3-allylsalicylidene)o-phenylenediamine complex (PdAS) immobilized onto mesoporous polymeric methyl acrylate (MA) based resins (PdAS(x)-MA, x = 1, 2, 5, or 10 wt.%) were successfully prepared as heterogeneous catalysts for the Heck reaction. The catalysts were synthesized via radical suspension polymerization using PdAS as a metal chelate monomer, divinylbenzene and MA as co-monomers.

Magnetic Fe₂O₃⁻SiO₂⁻MeO₂⁻Pt (Me = Ti, Sn, Ce) as Catalysts for the Selective Hydrogenation of Cinnamaldehyde. Effect of the Nature of the Metal Oxide.

The type of metal oxide affects the activity and selectivity of Fe₂O₃⁻SiO₂⁻MeO₂⁻Pt (Me = Ti, Sn, Ce) catalysts on the hydrogenation of cinnamaldehyde. The double shell structure design is thought to protect the magnetic Fe₂O₃ cores, and also act as a platform for depositing a second shell of TiO₂, SnO₂ or CeO₂ metal oxide. To obtain a homogeneous metallic dispersion, the incorporation of 5 wt % of Pt was carried out over Fe₂O₃⁻SiO₂⁻MeO₂ (Me = Ti, Sn, Ce) structures modified with (3-aminopropyl)triethoxysilane by successive impregnation-reduction cycles.

Preparation and characterization of a supported system of NiP/NiP nanoparticles and their use as the active phase in chemoselective hydrogenation of acetophenone.

NiP/NiP nanoparticles were obtained by thermal decomposition of nickel organometallic salt at low temperature. The use of different characterization techniques allowed us to determine that this process produced a mixture of two nickel phosphide phases: NiP and NiP. These nickel phosphides nanoparticles, supported on mesoporous silica, showed activity and high selectivity for producing the hydrogenation of the acetophenone carbonyl group to obtain 1-phenylethanol.

Chiral Pt/ZrO2 catalysts. Enantioselective hydrogenation of 1-phenyl-1,2-propanedione.

The enantioselective hydrogenation of 1-phenyl-1,2-propanedione over Pt colloids stabilized with (R,S)-4,5-dihydro-4,5-diphenyl-2-(6-cyanopyridinyl)imidazoline (CI) supported on a meso-structured ZrO(2) under a pressure of 40 bar of H(2) at 298 K has been investigated(.) The metal loading in all catalysts was 1 wt%. The effect of the amount of chiral modifier on the metal particle size and on the catalytic behavior was analyzed.