An official website of the United States government
Here’s how you know
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.
... Novel (B,N)-doped three-dimensional (3D) porous graphene–carbon nanotubes (CNTs) can be used as an excellent alkaline and acid tolerant electrocatalyst for both the oxygen reduction reaction (ORR) and the hydrogen evolution reaction (HER). Based on density functional theory, the H and O atoms’ pre-and post-adsorption energy can effectively reduce the reaction energy barrier. ...
Lewis bases; X-ray diffraction; alkynes; bromides; catalysts; copper; enantiomers; enantioselectivity; guanidinium; ligands; mass spectrometry; organobromine compounds
Abstract:
... Highly enantioselective allylic alkynylation of racemic bromides under biphasic condition is furnished in this report. This approach employs functionalized terminal alkynes as pro-nucleophiles and provides 6- and 7-membered cyclic 1,4-enynes with high yields and excellent enantioselectivities (up to 96% ee) under mild conditions. Enantioretentive derivatizations highlight the synthetic utility of ...
... This study reports the synthesis and property evaluation of UV/oxidative dual curing waterborne polyurethane dispersion prepared from cardanol-based polyol using different mode of curing. Cardanol-based polyol was prepared by reacting epoxidized cardanol with itaconic acid in presence of triphenyl phosphine catalyst. Structures of cardanol-based intermediates (both epoxidized cardanol and polyol) ...
catalysts; cobalt; differential scanning calorimetry; isomers; isoprene; ligands; magnesium; molecular weight; new family; nuclear magnetic resonance spectroscopy; polymerization; polymers; temperature
Abstract:
... Metal‐catalyzed selective isoprene polymerization has been a major entry toward cis‐1,4, trans‐1,4, and 3,4 isomers of polyisoprene, however, 1,2 selective polymerization of isoprene has not yet been achieved due to the steric problem. In this work, difluoro cobalt complexes carrying aminophosphory (‐HN‐P(=O) ᵗBu₂‐) fused pyrazol‐pyridine ligand has been prepared and characterized. In combination ...
Lewis bases; aldehydes; ammonium acetate; catalysts; enols; nitriles; pyridines; salts
Abstract:
... The reactivity of 1,2-benzoxathiin-4(3H)-one 2,2-dioxide was studied in multicomponent type reactions for the first time, namely, in a three-component interaction with active methylene nitriles and aromatic aldehydes in order to construct condensed 2-amino-4H-pyran derivatives. The reaction outcome strongly depended on the nature of an active methylene nitrile and an arenecarbaldehyde. Application ...
... The 1,3-bis(carboxymethyl)imidazolium chloride, which is easily and in a straightforward manner prepared readily from starting materials in multigram scale, is employed as catalyst in the synthesis of N-allylanilines by allylic substitution of alcohols with anilines. This metal-free catalyst allows the reaction to be carried out under mild reaction conditions (80 °C and air open vessel) and proved ...
... A majority of previously reported methods suffer from insufficient yields as well as more complicated experimental procedures, a smaller amount of isolated yields involving time-consuming and tiresome work-up with the use of metal catalyst and restricted scope of substrates. To overcome these issues, an environmentally benign, ionic liquid endorsed multi-component protocol to N-substituted azepine ...
... A novel 1,3-bis(4-fluorophenylthio)-propane ligand based CuI 1-D polymeric coordination complex having formula ([(CuI)₂{ArS(CH₂)₃SAr}₂]ₙ, Ar = 4-F-C₆H₄) has been synthesized and characterized by ¹H NMR, ¹³C NMR and single crystal XRD techniques. This complex has been employed for the first time as suitable catalyst for base-free one-pot three-component regioselective azide-alkyne cycloaddition (AA ...
... In this work, the significant intensification of a bentonite pillaring process was achieved by using a novel methodological approach, leading to an intercalating Al/Fe mixed oligomeric precursor, around 100 times more concentrated than usually reported. In addition, the intercalating step was achieved directly on the clay with no previous swelling of the mineral being required; this allowed the su ...
... This study demonstrates a simple and convenient two-step one-pot, highly efficient process of recycling poly(bisphenol A carbonate), i.e., PC, into versatile intermediates for polymers such as polyurethanes (PUs). Via a highly efficient and selective amine carbonylation reaction, PC is depolymerized by aliphatic diamines forming hydroxyl-N,N′-diphenylene-isopropylidenyl biscarbamates (hydroxyl DP- ...
catalysts; cathodes; chemical reactions; coatings; energy conversion; hydrogen; platinum; silicon; titanium dioxide
Abstract:
... A combination of hydrogen passivation, electroless deposition of a Pt catalyst and coating a TiO₂ protective layer leads to an unprecedented 11.5% energy conversion efficiency and one-week stability of an n⁺np⁺-Si photocathode for solar water splitting. ...
Fourier transform infrared spectroscopy; Raman spectroscopy; X-ray diffraction; anions; benzaldehyde; benzyl alcohol; catalysts; catalytic activity; electron transfer; energy-dispersive X-ray analysis; graphene oxide; hydrogen peroxide; ketones; magnetic materials; magnetism; nanocomposites; nanosheets; nitrogen; oxidation; scanning electron microscopy; surface area
Abstract:
... In this work, 12-molybdophosphoric acid (H₃PMo₁₂O₄₀, HPMo) was chemically anchored onto the surface of aminosilanized magnetic graphene oxide (Fe₃O₄/GrOSi(CH₂)₃–NH₂) and was characterized using different physicochemical techniques, such as powder X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), Raman spectroscopy, energy-dispersive X-ray analysis (EDX), scanning electron m ...
Lewis acids; acetone; artemisinin; biomimetics; catalysts; chemical structure; cyclization reactions; eudesmanolides; guaianolides; organic chemistry; solvents
Abstract:
... A study on the electrophile-induced rearrangement of two 15-hydroxygermacranolides, salonitenolide and artemisiifolin, was carried out. These compounds underwent electrophilic intramolecular cyclizations or acid-mediated rearrangements to give sesquiterpene lactones with different skeletons such as eudesmanolides, guaianolides, amorphanolides, or other germacranolides. The cyclization that gives g ...
active sites; carbon; catalysts; electrochemistry; melamine; nitrogen; porous media; surface area
Abstract:
... For the first time, a supramolecular template-derived synthesis approach is reported to fabricate 1D nitrogen-doped hollow carbon tubes (h-NCTs) with a hierarchical micro/mesoporous structure. A melamine cyanurate supramolecular assembly is used as the tubular-structure guiding template and nitrogen source, endowing the obtained h-NCTs catalyst with proliferative catalytic active sites, a high sur ...
... 2-Acylthienopyridines and related heterocycles are readily prepared in moderate to good yields under mild conditions by a nucleophilic thiolation, copper-catalyzed cyclization, and an oxidation cascade process using potassium xanthate as the thiol source. Moreover, excellent chemoselectivity, broad substrate scope, and good functional group tolerance are prominent features of this transformation. ...
... 2-D porous Ni₃N–Co₃N hybrids were prepared by initial controllable growth of ZIF-67 on Ni(OH)₂ sheets followed by nitridation. The synergistic nitridation of Ni(OH)₂ and ZIF-67, is demonstrated to be important for the formation of 2-D porous hybrids that can be used as a magnetically separable catalyst for hydrogenation reactions. ...
... A simple, rapid, selective, sensitive and reliable extractive spectrophotometric method was developed for the determination of ruthenium(III) using 2-nitrobenzaldehyde thiocarbohydrazone (2-NBATCH) as a chromogenic chelating ligand. The ruthenium(III)‒2-NBATCH complex is formed in aqueous acetic acid media (0.7 M) containing an organic solvent after 5 min heating on a water bath. The red colored c ...
activation energy; catalysts; catalytic activity; cobalt; cobalt oxide; coordination polymers; density functional theory; electric power; electrical conductivity; electrodes; foams; hydrogen production; hydrogenation; nickel; oxygen; oxygen production
Abstract:
... The development of highly active dual-functional electrocatalysts, especially for oxygen evolution reaction (OER), is highly desirable to electrocatalyze water splitting for hydrogen production. Herein, a cobalt metal-organic frameworks (Co-MOFs) array is employed as the platform to fabricate oxygen-defect-rich Co₃O₄ flakes that are vertical grown on nickel foam substrates. This MOFs-derived Co₃O₄ ...
... Employing nanocasting method, mesoporous MnO2 catalysts with large specific surface area and regular pore structure were synthesized by using three different types of mesostructure silicas (KIT-6, SBA-15, MCM-41) as hard templates. The physical and chemical properties of the three different mesostructured manganese oxide materials were comparatively and systematically characterized by using XRD, F ...
acidity; catalysts; ethylene; geometry; nanocomposites; nuclear magnetic resonance spectroscopy; polymerization; transmission electron microscopy; zirconium
Abstract:
... The reaction of methylaluminoxane (MAO) with 2D and 3D inorganic supports such as magadiite, [Al]-magadiite, n-alkyl-AlPO-kanemite, MCM-41 and MCM-48 was investigated by solid state NMR spectroscopy. The products obtained from the reaction of aluminum-modified magadiite and MAO were dominated by surface species of the type SiOCH3/AlOCH3. A mechanism for the surface reactions of MAO is proposed. Th ...
... On the basis of ultrathin two-dimensional (2D) nickel metal organic framework (UNiMOF) nanoflakes and 2D g-C₃N₄ nanoflakes, fresh visible-light-driven 2D/2D heterostructure catalysts were designed, which were assembled with a simplistic electrostatic self-assembly process. The photocatalytic performance of UNiMOF/g-C₃N₄ for H₂ production was evaluated in visible light. The hydrogen evolution of 25 ...
... Janus polymerization combines cationic and anionic polymerizations into the two ends of a single growing chain and presents a novel pathway to produce topologically defined polymers. In this contribution, we report a one-step synthesis of 3-miktoarm star terpolymers of poly(ethylene glycol)-star-poly(ε-caprolactone)-star-poly(ε-caprolactone-co-tetrahydrofuran) (PEG-star-PCL-star-P(CL-co-THF)) via ...
... A heterogeneous catalytic ozonation/membrane filtration (HCOMF) system was fabricated by integrating a flat-plate polyvinylidene fluoride (PVDF) membrane module along with a slurry catalytic ozonation reactor. The performance and catalytic activity of HCOMF was evaluated for degradation of model wastewater containing bisphenol A (BPA) and humid acid (HA) under different permeation flux in long-ter ...
... The extensive research and developments of highly efficient oxygen electrode electrocatalysts to get rid of the kinetic barriers for oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) are very important in energy conversion and storage devices. Especially, exploring nonprecious metal alternatives to replace traditional noble metal catalysts with high cost and poor durability is th ...
... A novel cathode architecture using vertically aligned Co nanoneedle arrays as an ordered support for application in alkaline anion-exchange membrane fuel cells (AAEMFCs) has been developed. The Co nanoneedle arrays were directly grown on a stainless steel sheet via a hydrothermal reaction and then a Pd layer was deposited on the surface of the Co nanoneedle arrays using a vacuum sputter-deposition ...
... A 3D porous Co–Fe–P foam fabricated using electrodeposition is presented as a high-performance and durable catalyst for both oxygen and hydrogen evolution reactions. To establish optimal Fe/Co ratio of the catalyst, Co–Fe–P films were electrodeposited with Fe/Co ratio of 0.2, 0.4, 1.1, and 3.3. Among the prepared samples, the Co–Fe–P film with the Fe/Co ratio of 1.1 (Co–Fe–P-1.1) exhibited the hig ...
... Three-dimensional (3D) printing technologies are emerging as an important tool for the manufacturing of electrodes for various electrochemistry applications. It has been previously shown that metal 3D electrodes, modified with metal oxides, are excellent catalysts for various electrochemical energy and sensing applications. However, the metal 3D printing process, also known as selective laser melt ...
anodes; catalysts; catalytic activity; cathodes; foaming; graphene; nanoparticles; temperature
Abstract:
... The design and development of highly efficient and durable non-precious metal catalysts are of great significance for the HER and the OER, especially bifunctional catalysts for overall water splitting. Here, a series of novel composites of 3D nitrogen-doped graphene foams with homogeneously dispersed CoS₁.₀₉₇ nanoparticles (NPs) are synthesized through hydrazine-induced foaming and thermal-treatme ...
anodes; carbon; carbon fibers; catalysts; chemical structure; durability; fuel cells; humans; nickel; oxidation; renewable energy sources; urea; urine
Abstract:
... Direct urea fuel cells (DUFCs) are considered as promising green energy devices for sustainable energy generation from human waste; however, the lack of efficient urea oxidation reaction electrocatalysts remains a formidable challenge for their practical utility. Herein, we report a flexible, binder-free electrode with a 3-dimensional (3D) hierarchical nickel cobaltite (NiCo₂O₄) architecture on ca ...
... Increasing the amount of surface active sites of the material may be a feasible way to improve the efficiency ofthe generation of Fe2+ in the photo-Fenton process. In this work, a simple synthesis method was adopted to synthesize 3D ordered mesoporous CuFe2O4 with large specific surface areaby using ferric nitrate and copper nitrate as the precursor and KIT-6 as the template. The synthesized mater ...
active sites; annealing; catalysts; catalytic activity; durability; electrical properties; electrochemistry; hydrogen production; mass transfer; nanopores; nickel; structure-activity relationships; vanadium
Abstract:
... Nickel-based non-noble-metal materials have emerged as promising catalysts for electrochemical hydrogen production in view of their attractive intrinsic activities, electrical properties and low cost. Exploring new candidates for further improving the performances of nickel-based catalysts and understanding the structure–activity relationship are still necessary to reduce the overpotential of the ...
... In this work, the performance of Polymer Electrolyte Membrane Fuel Cells (PEMFCs) with interdigitated gas distributor under clamping pressure is numerically studied. A three-dimensional model of PEMFC has been developed and used to study the effect of displacement and deformation caused by clamping pressure on the transport phenomena and device performance. The influence of different parameters su ...
catalysts; chemical engineering; chemistry; computer techniques; digital database; fluid mechanics; geometry; information processing; manufacturing; materials science; mixers; models
Abstract:
... Computer-aided fabrication technologies combined with simulation and data processing approaches are changing our way of manufacturing and designing functional objects. Also in the field of catalytic technology and chemical engineering the impact of additive manufacturing, also referred to as 3D printing, is steadily increasing thanks to a rapidly decreasing equipment threshold. Although still in a ...
... The mechanism of Li–O₂ batteries is based on the reactions of lithium ions and oxygen, which hold a theoretical higher energy density of approximately 3500 W h kg⁻¹. In order to improve the practical specific capacity and cycling performance of Li–O₂ batteries, a catalytically active mechanically robust air cathode is required. In this work, we synthesized a freestanding catalytic cathode with RuO ...
... 3D-macroporous chitosan-based scaffolds (cryogels) were produced via growth of metal-polymer coordinated complexes and electrostatic interactions between oppositely charged groups of chitosan and metal ions under subzero temperatures. A mechanism of reduction of noble metal complexes inside the cryogel walls by glutaraldehyde is proposed, which produces discrete and dispersed noble metal nanoparti ...
carbon-hydrogen bond activation; catalysts; cost effectiveness; drugs; pharmaceutical industry; plant protection; toxicity; transition elements
Abstract:
... C–H activation has surfaced as an increasingly powerful tool for molecular sciences, with notable applications to material sciences, crop protection, drug discovery, and pharmaceutical industries, among others. Despite major advances, the vast majority of these C–H functionalizations required precious 4d or 5d transition metal catalysts. Given the cost-effective and sustainable nature of earth-abu ...
... The conservation of our element resources is a fundamental challenge of mankind. The development of alcohol refunctionalization reactions is a possible fossil carbon conservation strategy since alcohols can be obtained from indigestible and abundantly available biomass. The conservation of our rare noble metals, frequently used in key technologies such as catalysis, might be feasible by replacing ...
... Metal-containing Fenton catalysts have been widely investigated. Here, we report for the first time a highly effective stable metal-free Fenton-like catalyst with dual reaction centers consisting of 4-phenoxyphenol-functionalized reduced graphene oxide nanosheets (POP-rGO NSs) prepared through surface complexation and copolymerization. Experimental and theoretical studies verified that dual reacti ...
beta-cyclodextrin; catalysts; chemical reactions; chemical structure; nuclear magnetic resonance spectroscopy; organic compounds; reaction mechanisms; recycling; solvents; spectral analysis
Abstract:
... Herein, two unit of β-cyclodextrin linked by thiomethylene bridge was synthesized and employed as a novel efficient supramolecular host for the synthesis of biologically active chromenones templates via three-component single-pot reaction. A possible reaction mechanism through molecular complexation is suggested based on 2D ROESY NMR spectroscopic analysis. Moreover, the catalyst could be easily r ...
... A heteropoly acid based organic hybrid heterogeneous catalyst, HMQ-STW, was prepared by combining 8-hydroxy-2-methylquinoline (HMQ) with Keggin-structured H₄SiW₁₂O₄₀ (STW). The catalyst was characterized via elemental analysis, X-ray diffractometry (XRD), Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), thermogravimetric analysis (TG) and potentiometric titratio ...
... Construction of block copolymers is a practical method for modifying the properties of CO₂-based polycarbonates (CO₂-PCs) in order to meet specific needs. Herein, we report a well-defined single-site β-diiminate zinc complex 1 equipped with the capacities of coordination copolymerization of CO₂/epoxide and reversible addition–fragmentation chain transfer (RAFT) polymerization of vinyl monomers. Co ...
... In a number of heterogeneous catalysis processes, the promotion effect toward active sites is of vital importance and remains a challenge to obtain largely-improved catalytic performance. Herein, rehydrated Ca₄MnₓAl-layered double hydroxides (denoted as re-Ca₄MnₓAl-LDH) were prepared based on a structure memory effect of LDH precursors, which exhibited extremely high heterogeneous catalytic perfor ...
carbon dioxide; carbon nitride; catalysts; feedstocks; graphene; iron; irradiation; photocatalysis; photosensitizing agents; porous media; solar energy
Abstract:
... Efficient and selective photostimulated CO₂-to-CO reduction by a photocatalytic system consisting of an iron-complex catalyst and a mesoporous graphitic carbon nitride (mpg-C₃N₄) redox photosensitizer is reported for the first time. Irradiation in the visible region (λ ≥ 400 nm) of an CH₃CN/triethanolamine (4:1, v/v) solution containing [Fe(qpy)(H₂O)₂]²⁺ (qpy = 2,2′:6′,2′′:6′′,2′′-quaterpyridine) ...
... (R)-3, 5-Bis(trifluoromethyl)phenyl ethanol is a key chiral intermediate for the synthesis of aprepitant. Through a genome mining approach, an NADPH-dependent short-chain dehydrogenases derived from Burkholderia cenocepacia (Bc-SDR) was discovered with excellent anti-Prelog’s stereoselectivity of reducing 3, 5-bis(trifluoromethyl) acetophenone. The enzyme with 247 amino acids was successfully expr ...
... To date, all epoxy vitrimer systems reported in the literature rely on addition of significant amounts of catalysts to achieve the dynamic transesterification reaction (TER). However, the catalysts used in vitrimers are often toxic and have poor miscibility with organic compounds, and they may further comprise the application performance like corrosion resistance. Moreover, the reprocessing and re ...
biodegradability; catalysts; mathematical models; molecular weight; nuclear magnetic resonance spectroscopy; octanoic acid; polymerization; polymers; prediction; process design
Abstract:
... This paper reports the study on the synthesis of poly(ε-caprolactone)—PCL by ring-opening polymerization (ROP) of ε-caprolactone (CL) monomer with focus on mathematic developing of the growth mechanisms of polymer chain. Kinetics and mathematical modeling of ROP of CL was carried out to replicate the different experimental conditions. The computational results of conversion and molecular weight of ...
1-propanol; adsorption; butanol; catalysts; catalytic activity; chemical bonding; copper; dehydrogenation; ethanol; formaldehyde; methanol; thermodynamics; van der Waals forces
Abstract:
... The catalytic behavior of Cu surfaces in the anhydrous production of aldehydes from alcohols, a process of industrial significance, is puzzling: the two simplest alcohols (methanol and ethanol) show dramatically different decomposition behavior on Cu. Here, we study the thermodynamic and kinetic processes involved in the anhydrous dehydrogenation of linear-chain alcohols including methanol, ethano ...
... Electrochemical reduction of nitric oxide (NOER) is a promising technology for the removal of harmful N-containing species in groundwater under mild conditions. In this work, by means of density functional theory computations, we systematically investigated the potential of utilizing experimentally feasible transition metal–N₄/graphenes as NOER catalysts. Our results revealed that NO molecules can ...
... Many nonprecious metal-selenide-based materials have been reported as electrocatalysts with high activity for the oxygen evolution reaction (OER). Herein, a hybrid catalyst film composed of Cu₂Se and Cu₂O nanoparticles directly grown on Ti foil (Cu₂Se–Cu₂O/TF) was prepared through a simple and fast cathodic electrodeposition method. Surprisingly, this electrode required a relatively low overpotent ...
catalysts; density functional theory; oxalates; physical chemistry
Abstract:
... A series of core–shell catalysts aiming at CO oxidative coupling to dimethyl oxalate (DMO) were constructed, and effects of the second metal doping and surface structures on the reaction activity and favorable reaction path were investigated by using the density functional theory (DFT) method. Pd₁₃, Al@Pd₁₂, and Ag@Pd₁₂ were first studied to find the proper doping metal. Our results showed that th ...
carbon; catalysts; differential equation; mixing; model validation; models; oxidation; palladium; particle size; porosity; process design; purification methods; temperature; xylene
Abstract:
... Catalyst deactivation is one of the main challenges in industrial reaction operations. In this paper, a dynamic heterogeneous model is developed for the crude terephthalic acid hydropurification process. The model incorporates the effects of axial mixing and deactivation of the commercial catalyst of palladium supported on carbon on efficiency of the hydropurification operation. The transport phen ...
... New synthetic methods are of great significance in enabling access to valuable compounds and materials. Although conjugated poly(3-hexylthiophene) (P3HT) has been widely investigated, P3HT copolymers containing functional groups (such as amino, imino, hydroxyl, etc.) are rarely reported because of inherent synthetic difficulties. Here P3HT copolymers bearing diverse functional pendants, which cann ...
... Since the first reports of Cu dendrimer-encapsulated nanoparticles (DENs) published in 1998, the dendrimer-templating method has become the best and most versatile method for preparing ultrafine metallic and bimetallic nanoparticles (1–3 nm) with well-defined compositions, high catalytic activity, and tunable selectivity. However, DENs have remained for the most part model systems with limited pro ...
Grégoire Paille; Maria Gomez-Mingot; Catherine Roch-Marchal; Benedikt Lassalle-Kaiser; Pierre Mialane; Marc Fontecave; Caroline Mellot-Draznieks; Anne Dolbecq
... The sandwich-type polyoxometalate (POM) [(PW₉O₃₄)₂Co₄(H₂O)₂]¹⁰– was immobilized in the hexagonal channels of the Zr(IV) porphyrinic MOF-545 hybrid framework. The resulting composite was fully characterized by a panel of physicochemical techniques. Calculations allowed identifying the localization of the POM in the vicinity of the Zr₆ clusters and porphyrin linkers constituting the MOF. The materia ...
alkanes; carbon-hydrogen bond activation; catalysts; catalytic activity; chemical bonding; derivatization; hydrogen; irradiation; phosphates; redox reactions
Abstract:
... Synthetic transformations that functionalize unactivated aliphatic C–H bonds in an intermolecular fashion offer unique strategies for the synthesis and late-stage derivatization of complex molecules. Herein we report a general approach to the intermolecular functionalization of aliphatic C–H bonds using an acridinium photoredox catalyst and phosphate salt under blue LED irradiation. This strategy ...
carbon dioxide; catalysts; citric acid; methane; nickel; process design; silica; temperature
Abstract:
... A group of Ni/SiO₂ catalysts was prepared via the complexed-impregnation method with different amounts of citric acid (Ni–C/SiO₂). The Ni–C/SiO₂ and Ni/SiO₂ prepared by the conventional impregnation method were respectively tested for carbon dioxide reforming of methane (CDR) at CO₂/CH₄ = 1.0, a gas hourly space velocity of 60 000 mL·g–¹·h–¹, and a reaction temperature of 750 °C. The characterizat ...
catalysts; catalytic activity; chemical bonding; cross-coupling reactions; ions; ligands; nickel; olefin; temperature
Abstract:
... The catalytic activity of a highly reduced Ni catalyst in the context of a Kumada–Corriu cross-coupling has been studied. This nickel complex is characterized by its high electron density, stabilized by simple olefin ligands in combination with two Li ions. Landmark reactivity has been found with this precatalyst which operates at cryogenic temperatures, thus allowing the presence of sensitive fun ...
analytical methods; aniline; catalysts; detection limit; electric current; electron transfer; hydrogen peroxide; manganese; nanomaterials; polymers; porphyrins; single-stranded DNA; thrombin
Abstract:
... In this work, a highly sensitive photoelectrochemical (PEC) assay was constructed based on a donor–acceptor (D–A)-type material, poly{4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]benzo[1,2-b:4,5-b′]dithiophene-2,6-diyl-alt-3-fluoro-2-[(2-ethylhexyl)-carbonyl]thieno[3,4-b]thiophene-4,6-diyl} (PTB7-Th), as the photoactive material and polyaniline (PANI) in situ deposited on the surface of PTB7-Th as the si ...
Monte Carlo method; carbon monoxide; catalysts; catalytic activity; ceric oxide; density functional theory; energy; models; nanoparticles; oxidation; oxygen; sampling
Abstract:
... Resolving the structure and composition of supported nanoparticles under reaction conditions remains a challenge in heterogeneous catalysis. Advanced configurational sampling methods at the density functional theory level are used to identify stable structures of a Pd₈ cluster on ceria (CeO₂) in the absence and presence of O₂. A Monte Carlo method in the Gibbs ensemble predicts Pd-oxide particles ...
... A novel dielectric polysiloxane with low dielectric constants (<2.77) at frequencies ranging from 0.1 to 30.0 MHz was synthesized. The monomer was prepared from renewable eugenol using an extremely low amount of B(C₆F₅)₃ catalyst. After thermal curing, the polysiloxane displayed high thermostability with degradation onset and glass transition temperatures of 400 and 201 °C, respectively. The coeff ...
... The concept of catalyst-selective membraneless direct liquid fuel cell (DLFC) has recently been proposed and has successfully been demonstrated with a number of alcohol or formate fuels. However, there is a critical anolyte-poisoning issue in the previous membraneless alkaline DLFC systems due to CO₂ formation upon the oxidation of liquid fuels. This study demonstrates a new membraneless DLFC syst ...
... Photoanodes in dye-sensitized photoelectrosynthesis cells integrate molecular chromophore/catalyst assemblies on mesoporous n-type metal oxide electrodes for light-driven water oxidation. One limitation for sustainable photoanodes is the stability of chromophore/catalyst assembly on electrode surfaces for long periods. Progress has been made in stabilizing chromophores based on atomic layer deposi ...
... A novel electrochemical route has been developed for the synthesis of 1,5-disubstituted and 1-aryl 1,2,4-triazoles from aryl hydrazines, paraformaldehyde, NH₄OAc, and alcohols. In this multicomponent reaction system, alcohols act as solvents as well as reactants and NH₄OAc is used as the nitrogen source. With the assistance of reactive iodide radical or I₂ and NH₃ electrogenerated in situ, this pr ...
... A new efficient method for the chemical decomposition of polyamide 6.6 by the glycolysis and amino-glycolysis processes was proposed. The glycolysis was conducted using the mass excess of ethylene glycol (EG) as a decomposing agent in the presence of a catalyst. Also, a mixture of EG and triethylenetetramine was used as another decomposing agent in the amino-glycolysis process. The described proce ...
Jie Zhu; Pavel M. Usov; Wenqian Xu; Paula J. Celis-Salazar; Shaoyang Lin; Matthew C. Kessinger; Carlos Landaverde-Alvarado; Meng Cai; Ann M. May; Carla Slebodnick; Dunru Zhu; Sanjaya D. Senanayake; Amanda J. Morris
... Metal–organic frameworks (MOFs) have shown great promise in catalysis, mainly due to their high content of active centers, large internal surface areas, tunable pore size, and versatile chemical functionalities. However, it is a challenge to rationally design and construct MOFs that can serve as highly stable and reusable heterogeneous catalysts. Here two new robust 3D porous metal-cyclam-based zi ...
Gibbs free energy; adsorption; catalysts; density functional theory; dissociation; durability; electrochemistry; electrodes; hot water treatment; hydrogen; hydrogen production; nanosheets; nickel; potassium hydroxide
Abstract:
... The design and development of highly active electrocatalysts for the hydrogen evolution reaction (HER) in alkaline media is of significant importance. In this communication, we report the direct growth of an ultralow-Pt-content (Pt content: 5.1 wt%) Ni(OH)₂–PtO₂ hybrid nanosheet array on a Ti mesh (Ni(OH)₂–PtO₂ NS/Ti), carried out by hydrothermal treatment of a Ni(OH)₂ nanosheet array on a Ti mesh ...
... A novel approach to construct a highly active and durable Ni(OH)₂ nanoparticle/graphene hybrid electrocatalyst for the oxygen-evolution reaction (OER) is reported. This approach utilized the Ni-loaded, graphene-supported, Zr–carboxylate metal–organic framework (UiO-66-NH₂-Ni@G) as a sacrificial pre-catalyst to engender the true catalyst in an electrochemical surface restructuring process. This has ...
... A novel air flooding technology based on catalyst-activated low-temperature oxidation (CLTO) has been researched by static and dynamic oxidation experiments and can be applied in light crude oil reservoirs under reservoir conditions to improve the safety and oil recovery of air flooding. The catalytic effect of additives on the oxidation behavior of three crude oils was researched. The changes in ...
... This study proposes a novel four-way plasma-catalytic removal of particulate matter, nitrogen oxides, hydrocarbons, and carbon monoxide without external heating using a pulsed dielectric barrier discharge reactor combined with Au/CaSO₄/γ-Al₂O₃ catalyst balls. With the optimized amount of Au and CaSO₄, over 90% of particulate matter, 40% of nitrogen oxides, and nearly 100% of hydrocarbons were remo ...
... The platinum nanoparticles (Pt NPs) hybrided with nanostructured carbon materials with high stability are important for catalyzing hydrogenation reaction. Here we reported the fabrication of ultrastable Pt NPs anchored on graphdiyne, in which the strong interactions induced by the porous graphdiyne can prevent the thermal migration of Pt nanoparticles on the graphdiyne surface, exploiting the stro ...
... A novel hierarchical RuNi/Al₂O₃–carbon nanotube/Ni foam (RuNi/Al₂O₃–CNTs/NF) catalyst is prepared from a RuNiAl-layered double hydroxide/CNTs/NF (RuLDH/CNTs/NF) precursor and applied in CO selective methanation (CO-SMET) for hydrogen purification. Results show that the RuNi/Al₂O₃–CNTs/NF hierarchical catalyst has an excellent catalytic performance toward CO-SMET (i.e., CO outlet concentration less ...
... A novel method of redox precipitation was applied for the first time to synthesize a Au-doped α-MnO₂ catalyst with high dispersion of the Au species. Au nanoparticles (NPs) can be downsized into approximate single atoms by this method, thereby realizing highly efficient utilization of Au element as well as satisfying low-temperature oxidation of formaldehyde (HCHO). Under catalysis of the optimal ...
Lewis bases; acetamides; amines; catalysts; chemical bonding; chemical structure; imidazoles; isomerization; organic chemistry; palladium
Abstract:
... A novel carbonylative approach to the synthesis of functionalized 1H-benzo[d]imidazo[1,2-a]imidazoles is presented. The method consists of the oxidative aminocarbonylation of N-substituted-1-(prop-2-yn-1-yl)-1H-benzo[d]imidazol-2-amines, carried out in the presence of secondary nucleophilic amines, to give the corresponding alkynylamide intermediates, followed by in situ conjugated addition and do ...
solar cells; titanium dioxide; chemical engineering; catalysts; porous media; photostability; photoluminescence; ultraviolet radiation
Abstract:
... Owing to the remarkable advantages of the perovskite solar cell (PSC), people regard the PSC as an auspicious candidate for photovoltaic devices in the near future, but light instability of the PSC, caused by TiO₂ being a photo catalyst to decompose perovskite films under UV radiation, limits its practical applications. To improve light stability, removing the TiO₂ layer from PSC devices is the be ...
... Improvement of processes that utilize renewable feedstocks to produce chemicals ordinarily derived from fossil carbon feedstocks is paramount to creating environmentally sustainable chemical and fuel industries. Catalytic conversion of biorefinery-derived ethanol via the Guerbet condensation has the potential to serve such a purpose. In this contribution, we demonstrate marked selectivity changes ...
... Herein is disclosed a selective and facile approach for the construction of CF₂H-containing pyrazolo[1,5-c]quinazolines from easily accessible 3-ylideneoxindoles and in situ generated CF₂HCHN₂. The reaction involving a [3 + 2] cycloaddition/1,3-H shift/rearrangement/dehydrogenation cascade proceeded smoothly at room temperature in the absence of catalyst and additive. Moreover, this metal-free pro ...
... Herein, we report a highly efficient Suzuki–Miyaura catalyst-transfer polycondensation (SCTP) of 3-alkylthiophenes using bench-stable but highly active Buchwald dialkylbiarylphospine Pd G3 precatalysts and N-methylimidodiacetic (MIDA)-boronate monomers. Initially, the feasibility of the catalyst-transfer process was examined by screening various dialkylbiarylphospine-Pd(0) species. After optimizin ...
carbon dioxide; catalysts; catalytic activity; composite materials; coordination polymers; electrochemistry; energy density; fossil fuels; global warming; hydrogen; hydrogen production; metals; methanol; oxygen; renewable energy sources; surface area
Abstract:
... Transformation of carbon dioxide into various chemicals including methanol is a top priority field of study owing to the association of CO₂ with global warming. There is a need for renewable and sustainable energy sources and replacement of fossil fuel with a fuel having comparable energy density. Electrochemical reduction is a unique approach to convert CO₂ to methanol by employing alternative en ...
... Detailed kinetic analysis for the Cu(I)-catalyzed Kinugasa reaction forming β-lactams has revealed an anomalous overall zero-order reaction profile, due to opposing positive and negative orders in nitrone and alkyne, respectively. Furthermore, the reaction displays a second-order dependence on the catalyst, confirming the critical involvement of a postulated bis-Cu complex. Finally, reaction progr ...
air; amides; catalysts; chemical reactions; chemical structure
Abstract:
... A robust one-step synthetic strategy for ynamide with cheap and easily available stock chemicals vinyl dichlorides and electron deficient amides as the starting material is described. In the absence of transition-metal catalyst, the reaction proceeds under mild reaction conditions in open air and thus rendering a convenient operation. This strategy is not only suitable for both terminal and intern ...
... Currently, the catalytic upgrade of biomass-derived platform molecules into valuable chemicals is of great interest. In this work, an integrated route for upgrading concentrated furfural (17.3–80.5 wt %) in ethanol through the combination of Meerwein–Ponndorf–Verley reduction with in situ cross aldol condensation is developed, and the two valuable products, furfuryl alcohol and 3-(2-furyl)acrolein ...
... Membrane fission manifests during cell division, synaptic transmission, vesicular transport, and organelle biogenesis, yet identifying proteins that catalyze fission remains a challenge. Using a facile and robust assay system of supported membrane tubes in a microscopic screen that directly monitors membrane tube scission, we detect robust GTP- and ATP-dependent as well as nucleotide-independent f ...
... The design of high glass transition temperature (Tg) thermoset materials with considerable reparability is a challenge. In this study, a novel biobased triepoxy (TEP) is synthesized and cured with an anhydride monomer in the presence of zinc catalyst. The cured TEP exhibits a high Tg (187 °C) and comparable strength and modulus to the cured bisphenol A epoxy. By adopting the vitrimer chemistry, th ...
carbon nitride; catalysts; electrochemistry; electrolytes; electron transfer; energy conversion; fuel cells; graphene; mass transfer; methanol; models; nanoparticles; nanospheres; oxidation; polymers; surface area
Abstract:
... Metal catalysts (e.g., Pt) have a variety of applications in energy conversion devices including polymer electrolyte fuel cells (PEFCs); however, they commonly confront a crucial issue of poor stability. Herein, a structural model of spatially confining supported Pt nanoparticles is determined to improve the stability of metal catalysts, wherein graphitic carbon nitride (gC₃N₄) supported Pt nanopa ...
... The electrochemical reduction of nitrogen to ammonia on Au-based catalysts showed a reasonably high Coulombic efficiency. The pathway of this promising reaction, however, is not clear partially due to the lack of information on reaction intermediates. Herein, surface-enhanced infrared absorption spectroscopy (SEIRAS) was employed to study the reaction mechanisms of nitrogen reduction on an Au thin ...
catalysts; catalytic activity; copper; iron; physicochemical properties; process design; steam; temperature
Abstract:
... A plate-type Cu/Ni/γ-Al₂O₃/Al catalyst exhibited a good stability in steam reforming of dimethyl ether (DME SR); however, a high CO concentration (ca. 26%) was detected. As such, a multifunctional catalyst combined DME SR and high temperature water gas shift reaction (HT-WGSR) was developed in this work. It is found that the reaction temperature regions of Fe-based and Cu-based catalysts coupled p ...
... Flame retardancy was imparted to jute fabric through application of organophosphorus flame retardants (OFR) and tetrakis (hydroxymethyl) phosphonium chloride (THPC). The OFR agent was used in conjunction with melamine formaldehyde as binder and phosphoric acid as a catalyst. THPC was applied in the form of a THPC-urea complex. Both the flame retardants were applied to scoured and bleached jute hes ...
... Zinc sulfides are emerging as promising catalysts in different fields such as photochemistry or organic synthesis. Nevertheless, the synthesis of ZnS compounds normally requires the utilization of toxic sulfur precursors, e.g., thiourea which is a contaminant and carcinogenic agent. As a result, new green and sustainable synthetic methodologies are needed. Herein, an innovative, simple, and cheap ...
... The electrochemical reduction of CO₂ has been extensively investigated in recent years, with the expectation that a detailed mechanistic understanding could achieve the goal of finding a stable catalyst with high turnover frequencies and low reduction potentials. In the catalytic cycle of the carbon dioxide hydrogenase enzyme, it has been suggested that the reduced metal center reacts with CO₂ to ...
amides; amines; aminolysis; aminoquinolines; carbon-hydrogen bond activation; catalysts; chemical structure; organic chemistry; protocols
Abstract:
... Herein a two-step strategy for achieving overall transamidation of 8-aminoquinoline amides has been explored. In this protocol, the 8-aminoquinoline amides were first treated with Boc₂O and DMAP to form the corresponding N-acyl-Boc-carbamates, which were found to be sufficiently reactive to undergo subsequent aminolysis with different amines in the absence of any additional reagents or catalysts. ...
... Stable and cost-effective catalysts with low kinetic overpotentials for both the anodic oxygen evolution reaction (OER) and cathodic hydrogen evolution reaction (HER) are indispensable for the large-scale implementation of electrochemical water splitting. In this study, we developed an efficient, stable and bifunctional Ni–Co–S/Ni–Co–P bistratal electrocatalyst on Ni foam (NF) using simple electro ...
... The chemical energy stored in energetic materials may often be utilized in various ways, which motivates the development of multifunctional catalysts for flexible and efficient utilization of the chemical energy. Hydrazine is a promising energy carrier due to its high energy density and high hydrogen content, which can be utilized as a chemical hydrogen storage medium or a fuel for direct fuel cel ...
carbon nanotubes; catalysts; cell walls; foams; nickel; surface area
Abstract:
... The combination of carbonaceous foams (CFs) and carbon nanotubes (CNTs) is considered a viable strategy to take advantage of the merits of these two materials. Most of the reported CF–CNT composite embedded the CNTs in the framework of CFs, which may conceal some unique properties of the CNTs. In the present work, CNTs were successfully deposited on the ultra-thin cell walls of a starch-derived CF ...
amides; amines; carboxylic acids; catalysts; ethanol; green chemistry
Abstract:
... A green, one-pot approach based on the solvothermal amidation of carboxylic acids with amines has been developed for the synthesis of diverse aliphatic and aromatic amides. It does not require the use of catalysts or coupling reagents and it occurs in the presence of ethanol that has been proved to have a key role in the process. The proposed strategy is also extendable to biologically active amid ...
... The application of graphene as a two-dimensional nano-material has gained wide interest in different research areas, but its use is still novel for scientists. There has been continuous progress in the development of different synthesis methods to readily produce graphene at a lower cost. Chemical vapor deposition (CVD) is a powerful process to produce graphene, and it is accompanied by other meth ...
fuel cells; longevity; contact angle; cathodes; monitoring; corrosion; models; catalysts; fuels; scanning electron microscopy; transmission electron microscopy; anodes; starvation
Abstract:
... Cell interaction is the main factor resulting in a shorter lifespan for multi-cell stacks than for a single fuel cell stack. To explain this mechanism, we propose a cell interaction phenomenon in which one cell experiences fuel starvation. A specific voltage distribution along the straight channel direction has been observed with an innovative multipoint monitoring method. This phenomenon also can ...
aldimines; catalysts; chemical reactions; ketimines
Abstract:
... A chiral organic base catalyst with halogen-bonding-donor functionality has been developed. This quinidine-derived acid/base catalyst smoothly promoted the asymmetric Mannich reaction of malononitrile and various N-Boc imines with up to 98% ee. The cooperative interaction with both substrates was responsible for the high activity that allowed a reduction of the catalyst amount to 0.5 mol%. ...
... 4-Nitrophenol (4-NP) has become anthropogenic pollutant and poses a threat to the environment and human health. The fast detection and reduction of 4-NP can reduced their environmental and health issues. In this study, we have prepared the spherical shaped gold nanoparticles (AuNPs) decorated multi-walled carbon nanotubes (MWCNTs) in the hydrogel matrix. The prepared nanocomposite (Au@MWCNTs) was ...
... Utilization of heterogeneous catalyst in the biodiesel production process can minimize the cost of separation process and subsequently reduce the biodiesel price. This study aims at developing a low-priced heterogeneous catalyst CaO/SiO₂ prepared from cheap and abundant wastes of eggshell and peat clay for the production of biodiesel from wasted cooking oil. CaO catalyst was capable to produce bio ...
X-ray diffraction; X-ray photoelectron spectroscopy; atomic absorption spectrometry; catalysts; cobalt; cobalt oxide; green chemistry; hydrogen; hydroxymethylfurfural; mass transfer; nuclear magnetic resonance spectroscopy; reaction mechanisms; scanning electron microscopy; temperature; transmission electron microscopy
Abstract:
... Conversion of platform molecule 5-hydroxymethylfurfural (HMF) into high-value-added derivatives has attracted significant interest. In this paper, a metallic cobalt catalyst was prepared by the simple reduction of commercially available Co₃O₄, and used to catalyze the reductive etherification of HMF to 2,5-bis(methoxymethyl)furan (BMMF) under mild conditions. A yield of 93% 2,5-bis(hydroxymethyl)f ...