9,962 Results Found

The formose reaction is an autocatalytic series of aldol condensations that allows one to obtain monosaccharides from formaldehyde. The formose reaction suffers from a lack of selectivity, which hinders practical applications at the industrial level....

Some aspects of the reaction mechanisms in multistep selective (amm)oxidation reactions over oxide surfaces are discussed evidencing some of the challenges for surface science and theory in describing these reactions, and for applied catalysis in ord...

Controlling the selectivity of a detonation initiation reaction of explosive is essential to reduce sensitivity, and it seems impossible to reduce it by strengthening the external electric field. To verify this, the effects of external electric field...

Seawater is one of the most abundant and clean hydrogen atom resources on our planet, so hydrogen production from seawater splitting has notable advantages. Direct electrolysis of seawater would not be in competition with growing demands for pure wat...

Highly selective etching of silicon nitride (Si₃N₄) and silicon dioxide (SiO₂) has received considerable attention from the semiconductor community owing to its precise patterning and cost efficiency. We investigated the etching selectivity of Si₃N₄...

During the pre-hydrotreatment process, the hydrogen sulfide and ammonia present in the reaction atmosphere affect the conversion rate of bicyclic aromatics and the retention rate of monocyclic aromatic hydrocarbons (RRMA). In this study, 1-Methylnaph...

Transition metal oxides, particularly NiFe(OH)₂, are recognized for their high oxygen evolution reaction (OER) activity and structural stability. However, their performance in natural seawater electrolysis remains insufficiently studied. Manganese di...

Microarray gene expression data are characterized by high dimensionality and small sample sizes, which complicates cancer classification tasks. To address these challenges, this study proposes a hybrid gene selection approach that integrates a filter...

Solvents can have a tremendous influence on the rate and selectivity of chemical reactions, but their effects are not always well accounted for. In the present work, density functional theory computations are used to investigate the influence of solv...

The analysis of consecutive reactions A→B→C in porous catalyst particles, where the simultaneous processes of diffusion and chemical reactions take place and both reactant and products are subjected to diffusion limitations, was performed f...

Optimizing fine motor coordination and cognitive abilities in middle childhood through new intervention programs remains one of the most essential orientations in motor development and skills proficiency. The present study aims to identify the effect...

The hetero-Diels–Alder (HDA) reaction between the ambident heterodiene 3-methylene-2,4-chromandione (MCDO) and non-symmetric methyl vinyl ether (MVE) is investigated using the molecular electron density theory (MEDT) at the B3LYP/6-311G(d,p) co...

Mixing is considered as a critical process parameter (CPP) during process development due to its significant influence on reaction selectivity and process safety. Nevertheless, mixing issues are difficult to identify and solve owing to their complexi...

The production of menthol via thymol hydrogenation is an industrial technology but is challenging due to the unsatisfied selectivity to menthol. Herein, Ni/Ce catalysts were prepared and used in thymol hydrogenation. A high selectivity of menthol was...

Azaoxyallyl cations, as novel and versatile three-atom components, have been widely utilized in cycloaddition reactions, with the competition between O- and N-cyclization pathways remaining a key research focus. This study investigates the mechanism...

Background/Objectives: Cancer classification using microarray datasets presents a significant challenge due to their extremely high dimensionality. This complexity necessitates advanced optimization methods for effective gene selection. Methods: This...

Ru-Zn catalysts were synthesized via a precipitation method, and the mechanism of NaOH modifying Ru-Zn catalysts on the selective hydrogenation of benzene to cyclohexene was thoroughly investigated. Fresh as well as used catalysts were characterized...

Structure-sensitive catalyzed reactions can be influenced by a number of parameters. So far, it has been established that the formation of Pd-C species is responsible for the behavior of Pd nanoparticles employed as catalysts in a butadiene partial h...

Experimental and simulation-based investigations are carried out for the selective oxidation of green methanol to the oxygenates dimethoxymethane (DMM) and methyl formate (MF), including an initial catalyst screening, the derivation of a reaction kin...

The control of stereo-, regio-, and chemo-selectivity in transition-metal-catalyzed coupling reactions is a key topic in organic synthesis. Several methods for controlling selectivity have been reported thus far. On the other hand, the reduction of c...

The classification of cancer based on gene expression profiles is a central challenge in precision oncology due to the high dimensionality and low sample size inherent in microarray datasets. Effective gene selection is crucial for improving classifi...

Catalytic conversion of biomass-derived feedstock to high-value chemicals is of remarkable significance for alleviating dependence on fossil energy resources. MgAl spinel-supported Pt catalysts were prepared and used in furfuryl alcohol conversion. T...

In this work, we explored how solvents can affect olefin oxidation reactions catalyzed by MCM-bpy-Mo catalysts and whether their control can be made with those players. The results of this study demonstrated that polar and apolar aprotic solvents mod...

Supported copper has a great potential for replacing the commercial palladium-based catalysts in the field of selective alkynes/alkadienes hydrogenation due to its excellent alkene selectivity and relatively high activity. However, fatally, it has a...

Highly selective C(sp²)–C(sp²) cross-coupling of dihalogenated hydrocarbons comprising C(sp²)–Br and C(sp³)–Cl bonds with arylboronic acids is reported. This highly selective coupling reaction of the C(sp²)–Br bond is successfully achieved using Pd(O...

Epithelial ovarian cancer (OC) is a disease with high mortality due to vague early clinical symptoms. Benign ovarian cysts are common and accurate diagnosis remains a challenge because of the molecular heterogeneity of OC. We set out to investigate w...

Local breeds are often reared in various environmental conditions (EC), suggesting that genotype by environment interaction (GxE) could influence genetic progress. This study aimed at investigating GxE and response to selection (R) in Rendena cattle...

Electrolysis of seawater using solar and wind energy is a promising technology for hydrogen production which is not affected by the shortage of freshwater resources. However, the competition of chlorine evolution reactions and oxygen evolution reacti...

The photocycloaddition (PCA) of chalcones represents an important reaction pathway for accessing substituted cyclobutanes, which is a molecular framework with utility in synthetic chemistry, materials science, and medicine. In the past, our group has...

Monometallic Ru catalysts with different particle size were prepared via a precipitation method and reduced at different temperatures. In addition, their catalytic activity towards cyclohexene formation from selective hydrogenation of benzene was inv...

The conversion of CO₂ into CO via the Reverse Water–Gas Shift (RWGS) reaction is a suitable route for CO₂ valorisation. Fe-based catalysts are highly active for this reaction, but their activity and selectivity can be substantially boosted by a...

Metal-air batteries are attracting increasing attention as a superior renewable energy conversion device due to their high performance and strong potential. However, the high cost and low stability of the current Pt catalyst is the main obstacle prev...

Graphitic carbon nitride g-C₃N₄ has been modified using platinum and platinum oxide (0.5–5 wt.%) and studied in photocatalytic H₂ evolution reactions with ethanol aqueous solution under visible light irradiation (λ = 409 nm). An analysis...

A series of Sc-doped ZrO₂ supports, with Sc₂O₃ content in the range of 0 to 7.5% (mol/mol), were prepared using the hydrothermal method. Ni/Sc-doped ZrO₂ catalysts with nickel loading of 10% (w/w) were prepared using impregnation method, and characte...

The [3+2] cycloaddition reaction of N-aryl-C-carbamoylnitrone (nitrone 1) with N-arylitaconimide (ethylene 2) was computationally studied using the B3LYP/6-31G(d) level of theory. An analysis of the different energetic profiles and the transition sta...

This study reports the synthesis, characterization, and catalytic performance of a series of catalysts of Ru supported on CeO₂-Y₂O₃ composites (Ru/CeYX; X = 0, 33, 66, and 100 wt.% Y₂O₃) for CO₂ hydrogenation. Supported material modification (Y₂O₃-Ce...

A new series of spirooxindoles based on benzimidazole, triazole, and isatin moieties were synthesized via a [3+2] cycloaddition reaction protocol in one step. The single X-ray crystal structure of the intermediate triazole-benzimidazole 4 was solved....

Deamination of 1-aminoalkylphosphonic acids in the reaction with HNO₂ (generated “in situ” from NaNO₂) yields a mixture of substitution products (1-hydroxyalkylphosphonic acids), elimination products (vinylphosphonic acid derivatives), re...

One of the practical efforts in the development of oxygen reduction reaction (ORR) catalysts applicable to fuel cells and metal-air batteries is focused on reducing the cost of the catalysts production. Herein, we have examined the ORR performance of...

Since its discovery, the Julia–Kocienski olefination reaction has over past 30 years become one of the key C-C connective methods that is used in late-stage natural product synthesis. The reaction proceeds under mild reaction conditions, with a...

The competitiveness of the BF₃ Lewis acid (LA) catalyzed polar Diels–Alder (P-DA) and polar Alder-ene (P-AE) reactions of 2-methyl-1,3-butadiene, a diene possessing an allylic hydrogen, with formaldehyde has been studied within the Molecular El...

Facet-selective gold or platinum-nanoparticle deposition on decahedral-shaped anatase titania particles (DAPs) exposing {001} and {101} facets via photodeposition (PD) from metal-complex sources was reexamined using DAPs prepared with gas-phase react...

In this report, new, easily accessible reagents for highly Z-selective HWE reactions are presented. Alkyl di-(1,1,1,3,3,3-hexafluoroisopropyl)phosphonoacetates, structurally similar to Still–Gennari type reagents, were tested in HWE reactions w...

Carbonation of epoxidized linseed oil (CELO) containing five-membered cyclic carbonate (CC5) groups has been optimized to 95% by reacting epoxidized linseed oil (ELO) with carbon dioxide (CO₂) and tetrabutylammonium bromide (TBAB) as catalysts. The e...

This research investigated the properties of photocatalytic cementitious composites, including their air-purification efficiency. A method of characterizing the removal of airborne pollutants (nitrogen oxides), simulating the actual NO_x concentration...

In this work, we apply a computational diffusion model based on Fick’s laws to study the generation and transport of methane (CH ${}_4$ ) during the production of a cross-linked polyethylene (XLPE) insulated cable. The model takes into accoun...

A systematic synthetic study was performed to explain the usual trend in selectivity towards multi-coupling, over mono-coupling, in Suzuki–Miyaura reactions. This preference was observed under different reaction conditions: for various halobenz...

The reactivity and stereoselectivity in the inverse-electron-demand Diels–Alder reaction between 4-methoxycarbonyl-N-(phenylsulfonyl)-1-aza-1,3-butadiene and methoxyethene was examined using density functional theory (DFT) calculations at the M...

NO is a major environmental pollutant. MnO₂ is often used as a denitrification catalyst with poor N₂ selectivity and weak SO₂ resistance. Kiwi twig biochar was chosen to modify MnO₂ samples by using the hydrothermal method. The NO conversion rates of...

The influence of magnetic fields on chemical reactions, including biological ones, has been and still is a topical subject in the field of scientific research. Experimentally discovered and theoretically substantiated magnetic and spin effects in che...