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.

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.

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.

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).

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.

Synthesis of silicalite-1 zeolite membranes for vapor-permeation separation of dichlorobenzene Isomers.

Silicalite-1 zeolitic membranes have been successfully fabricated on the porous-AlOsupport by templated and template-free protocol, respectively, for vapor permeation separation of dichlorobenzene (DCB) isomers. After proving the high quality of the membranes by single gas permeation (He and SF) performance, the vapor-permeation of DCB isomers over two types of the silicalite-1 membrane was then investigated. The separation results clearly indicated that under the lower partial pressure and higher temperature, the effect of DCB isomer adsorption on the permeance could be kept at a sufficiently low level and sharp selectivity become more important.

An efficient and general method for the synthesis of stable isotope deuterium labeled phthalate esters.

An efficient and general synthetic route of deuterium-labeled phthalate esters is described with high isotopic enrichment and excellent chemical purities using inexpensive and readily available o-xylene-D as labeled starting material. The structures and isotope-abundance were confirmed via H NMR and mass spectrometry. These deuterium labeled phthalate esters can be used as analytical reference standards for the detection of plasticizer residues in soil, water, food, plastic products, etc.

Highly efficient BiVOsingle-crystal nanosheets with dual modification: phosphorus doping and selective Ag modification.

BiVO, a visible-light response photocatalyst, has shown tremendous potential because of abundant raw material sources, good stability and low cost. There exist some limitations for further applicaitions due to poor capability to separate electron-hole pairs. In fact, a single-component modification strategy is barely adequate to obtain highly efficient photocatalytic performance.

A Porphyrin-Involved Benzene-1,3,5-Tricarboxamide Dendrimer (Por-BTA) as a Multifunctional Interface Material for Efficient and Stable Perovskite Solar Cells.

Surface defects of perovskite films are the major sources of nonradiative recombination which limit the efficiency and stability of perovskite solar cells. Surface passivation represents one of the most efficient strategies to solve this problem. Herein, for the first time we designed a porphyrin-involved benzene-1,3,5-tricarboxamide dendrimer (Por-BTA) as a multifunctional interface material between the interface of the perovskite and the hole-transporting layer (spiro-OMeTAD) for the surface passivation of perovskite films.

Electrical Conduction Characteristic of a 2D MXene Device with Cu/CrC/TiN Structure Based on Density Functional Theory.

The electronic structure and the corresponding electrical conductive behavior of the Cu/CrC/TiN stack were assessed according to a newly developed first-principle model based on density functional theory. Using an additional CrC layer provides the metal-like characteristic of the Cu/CrC/TiN stack with much larger electrical conduction coefficients (i.e.

Refolding with Simultaneous Purification of Recombinant Serratia marcescens Lipase by One-Step Ultrasonication Process.

A new lipase from Serratia marcescens SRICI-01 (Trx-SmL) was successfully overexpressed in Escherichia coli with thioredoxin (Trx) fusion tag. Intriguingly, the concentration of potassium phosphate buffer (KPB) showed significant impact on the aggregation state of Trx-SmL during ultrasonic disruption. The proportion of inclusion bodies increased dramatically with the increase of KPB concentration from almost completely soluble in 10 mM KPB to insoluble in 200 mM KPB.