Density functional theory study of hydrogen and oxygen reactions on NiO(100) and Ce doped NiO(100).

Context: This study aims to reveal the reaction mechanisms of H and O on the NiO(100) and Ce-doped NiO(100) surfaces using the density functional theory (DFT) combined with the on-site Coulomb correction (DFT + U) method. It was found that H and O react favorably on the reduced surfaces of both materials. However, after the oxygen vacancy is filled, the activation energy for the reaction between H₂ and lattice oxygen increases.

Poly(ionic liquid)-regulated green one-pot synthesis of Au@Pt porous nanospheres for the smart detection of acid phosphatase and organophosphorus inhibitor.

Here, a green poly(ionic liquid)-regulated one-pot method is developed for the synthesis of Au@Pt core-shell nanospheres (PNSs) under mild reaction conditions in water. It is found that the poly(ionic liquid) poly[1-methyl-3-butyl (3-hydroxy) imidazole] chloride (PIL-Cl) is very vital to guide the construction of Au@Pt PNSs. The as-obtained Au@Pt-1 PNSs have perfect spherical outlines, porous core-shell structures and large specific surface area by which they exhibit excellent peroxidase-like activity in acidic media and can be used to develop a simple and reliable colorimetric sensing platform.

Surface Modification of Ultra-High-Molecular-Weight Polyethylene and Applications: A Review.

Ultra-high-molecular-weight polyethylene (UHMWPE) is often considered an ideal reinforcing material due to its extraordinary characteristics like high abrasion resistance, excellent toughness, and chemical stability. However, the poor surface properties have significantly hindered the progress of UHMWPE with high performance. This review is intended to introduce the physicochemical mechanisms of UHMWPE interfacial property modification.

Energy-Efficient Separation of Xylene Isomers through Stacked 1-Aminopyrene Polymer Composite.

Developing high-performance adsorbents for energy-efficient separation of xylene isomers has important research and application value. Identification and separation of xylene isomers (PX, MX, and OX) at room temperature based on the different relative positions of two methyl groups on the benzene ring is an unprecedented attempt. Herein, 1-aminopyrene polymer (PAP) is designed and electro-synthesized composited with a supporting electrolyte as an adsorbent for the separation of xylene isomers using a multi-stage dispersed liquid-solid adsorption process at room temperature.

Exploiting Waste towards More Sustainable Flame-Retardant Solutions for Polymers: A Review.

The development of sustainable flame retardants is gaining momentum due to their enhanced safety attributes and environmental compatibility. One effective strategy is to use waste materials as a primary source of chemical components, which can help mitigate environmental issues associated with traditional flame retardants. This paper reviews recent research in flame retardancy for waste flame retardants, categorizing them based on waste types like industrial, food, and plant waste.

Biosynthesis of the highly oxygenated tetracyclic core skeleton of Taxol.

Taxol is a widely-applied anticancer drug that inhibits microtubule dynamics in actively replicating cells. Although a minimum 19-step biosynthetic pathway has been proposed and 16 enzymes likely involved have been characterized, stepwise biosynthetic reactions from the well-characterized di-oxygenated taxoids to Taxol tetracyclic core skeleton are yet to be elucidated. Here, we uncover the biosynthetic pathways for a few tri-oxygenated taxoids via confirming the critical reaction order of the second and third hydroxylation steps, unearth a taxoid 9α-hydroxylase catalyzing the fourth hydroxylation, and identify CYP725A55 catalyzing the oxetane ester formation via a cascade oxidation-concerted acyl rearrangement mechanism.

Quantification and isotope abundance determination of C labeled intracellular sugar metabolites with hydrophilic interaction liquid chromatography.

Metabolic flux analysis (MFA) using stable isotope labeled tracers is a powerful tool to estimate fluxes through metabolic pathways. It finds applications in studying metabolic changes in diseases, regulation of cellular energetics, and novel strategies for metabolic engineering. Accurate and precise quantification of the concentration of metabolites and their labeling states is critical for correct MFA results.

Migration and emission characteristics of metal pollutants in fluid catalytic cracking (FCC) process.

Fluid catalytic cracking (FCC) is the core unit for heavy oil conversion in refineries. In the FCC process, the metal contaminants from the feedstock are deposited on the catalysts, causing catalyst deactivation and metal particulate matter (PM) emission. However, the migration and emission characteristics of metal pollutants in FCC units are still unclear.

3D printed microstructured ultra-sensitive pressure sensors based on microgel-reinforced double network hydrogels for biomechanical applications.

Hydrogel-based wearable flexible pressure sensors have great promise in human health and motion monitoring. However, it remains a great challenge to significantly improve the toughness, sensitivity and stability of hydrogel sensors. Here, we demonstrate the fabrication of hierarchically structured hydrogel sensors by 3D printing microgel-reinforced double network (MRDN) hydrogels to achieve both very high sensitivity and mechanical toughness.

Supramolecular assemblies of multifunctional microgels for biomedical applications.

Biomedical materials with outstanding biochemical and mechanical properties have great potential in tissue engineering, drug delivery, antibacterial, and implantable devices. Hydrogels have emerged as a most promising family of biomedical materials because of their high water content, low modulus, biomimetic network structures, and versatile biofunctionalities. It is critical to design and synthesize biomimetic and biofunctional hydrogels to meet demands of biomedical applications.

Emission characteristics of benzene series in FCC flue gas.

Benzene series are considered as air pollutants in refineries. However, the emissions of benzene series in fluid catalytic cracking (FCC) flue gas are poorly understand. In this work, we conduct stack tests on three typical FCC units.

Microenvironment Modulation of Metal-Organic Frameworks (MOFs) for Coordination Olefin Oligomerization and (co)Polymerization.

The majority of commercial polyolefins are produced by coordination polymerization using early or late transition metal catalysts. Molecular catalysts containing these transition metals (Ti, Zr, Cr, Ni, and Fe, etc.) are loaded on supports for controlled polymerization behavior and polymer morphology in slurry or gas phase processes.

Sodium alginate and Chitosan aided design of form-stable Polyrotaxane based phase change materials with ultra-high latent heat.

We prepared a series of highly porous Polyrotaxane/sodium alginate, and Polyrotaxane/Chitosan foam alloys according to a sustainable pathway by using water as the only solvent. The foam alloys were further used as supporter materials for poly (ethylene glycol) (PEG) encapsulation, to fabricate shape-stable bio-based phase change materials (PCMs). The pore morphology and the internal interface between PEG and foam alloys were characterized by scanning electron microscope (SEM).

Tandem Electro-Oxidative C-C and C-N Coupling and Aromatization for the Construction of Pyrazine-Fused Bisaza[7]helicene.

Repeated tandem electro-oxidative C-C and C-N coupling and aromatization were employed for the efficient construction of aza[7]helicene () as a key intermediate and the targeted pyrazine-fused bisaza[7]helicene () derivatives in 90.0-93.2% isolated yields under a controlled potential.

Determination of isotope abundance for deuterium-labeled compounds by quantitative H NMR + H NMR.

Deuterated reagents have been used in many research fields. Isotope abundance, as the feature parameter of deuterated reagents, the precise quantification, is of great importance. Based on quantitative nuclear magnetic resonance technology, a novel method that combines H NMR +  H NMR was systematically established to determine the isotopic abundance of deuterated reagents.

Preparation of modified MFI-type/PDMS composite membranes for the separation of dichlorobenzene isomers pervaporation.

Zeolite-polymer composite membranes have become promising and effective materials for the pervaporative separation of liquids, especially for isomeric mixtures. In this paper, silicalite-1/PDMS composite membranes have been used to investigate the separation of dichlorobenzene (DCB) isomers pervaporation for the first time. Silicalite-1 zeolites modified by the silane coupling agent, NH-CH-Si(OCH), have been incorporated into polydimethylsiloxane (PDMS).

Silicalite-1/PDMS Hybrid Membranes on Porous PVDF Supports: Preparation, Structure and Pervaporation Separation of Dichlorobenzene Isomers.

Separation of dichlorobenzene (DCB) isomers with high purity by time− and energy−saving methods from their mixtures is still a great challenge in the fine chemical industry. Herein, silicalite-1 zeolites/polydimethylsiloxane (PDMS) hybrid membranes (silicalite-1/PDMS) have been successfully fabricated on the porous polyvinylidene fluoride (PVDF) supports to first investigate the pervaporation separation properties of DCB isomers. The morphology and structure of the silicalite-1 zeolites and the silicalite-1/PDMS/PVDF hybrid membranes were characterized by XRD, FTIR, SEM and BET.

Low cost, robust, environmentally friendly, wood supported 3D-hierarchical CuSnS for efficient solar powered steam generation.

Solar steam generation has great potential in alleviating freshwater crises, particularly in regions with accessible seawater and abundant insolation. Inexpensive, efficient, and eco-friendly photothermal materials are desired to fabricate sunlight-driven evaporation devices. Here, we have designed an economical strategy to fabricate a high-performance wood-based solar steam generation device.

Conductive graphene coated carboxymethyl cellulose hybrid fibers with polymeric ionic liquids as intermediate.

In this study, a kind of polymeric ionic liquid (PIL) called PIL-Cl was synthesized and modified to obtain conductive graphene coated carboxymethyl cellulose hybrid fibers. Carboxymethyl cellulose (CMC) was formed into fibers by wet spinning assisted with PILCl. Co-precipitation test of CMC and PIL-Cl demonstrated that PIL-Cl could precipitate with CMC through strong electrostatic interaction and molar ratio of CMC and PIL-Cl (calculated in repeating units) would affect the formation of precipitation.

Selective Electrosynthesis of 2,5-Diformylfuran in a Continuous-Flow System.

The gram-scale selective oxidation of biomass-based chemicals, in particular 5-hydroxymethylfurfural (HMF), into value-added 2,5-diformylfuran (DFF) has a high application potential but suffers from high cost, low selectivity, and harsh reaction conditions. Besides, the electrooxidation strategy requires the usage of expensive electrodes and struggles with low selectivity and efficiency, which restricts its further scaled-up application. In this regard, a continuous-flow system was developed through redox mediator I /I for the efficient synthesis of DFF, which could accelerate the mass transfer of I (I ) to aqueous (organic) phase and avoid over-oxidation to achieve high selectivity.

Chrysene-Based Azahelicene π-Linker of D-π-D-Type Hole-Transporting Materials for Perovskite Solar Cells.

Chrysene is a readily available material for exploring new polycyclic aromatic hydrocarbons (PAHs). In this study, two chrysene based azahelicenes, nine-membered BA7 and ten-membered DA6, are constructed by intermolecular oxidative annulation of 6-aminochrysene and intramolecular annulation of N ,N -bis(1-chloronaphthalen-2-yl)chrysene-6,12-diamine, respectively. The hexylated BA7 and DA6 and their brominated products were undoubtedly characterized by single crystal XRD.