Computational studies on a selection of phosphite esters as antioxidants for polymeric materials.

Context: Phosphite esters, a class of organo-phosphorus compounds, are widely used as non-discolouring antioxidants in many polymeric products. Apart from normal radical scavenging, they prevent the splitting of hydroperoxides (ROOH), one of the initial products of autoxidation, from forming extremely reactive free radicals such as alkoxy (RO.) and hydroxy (.

Deliberate Problem-solving with a Large Language Model as a Brainstorm Aid Using a Checklist for Prompt Generation.

Large language models (LLMs) use autoregression to generate text in response to queries. Crafting an appropriate prompt to elicit the desired response from these generative artificial intelligence (AI) models to solve a clinical problem can be a challenge to clinicians who may be unfamiliar with this technology. The use of checklists to generate carefully worded queries can leverage the potential of LLMs as a brainstorming aid for medical problem-solving.

On the coordination chemistry of a bacterial siderophore cepabactin from a theoretical perspective.

Iron is one of the essential metals required by almost all living organisms. However, nature has certain constraints in distributing this element among tissues. Since polymeric oxide-bridged Fe (III) is the prominent source of Fe (III) ions, the insolubility of Fe (III) ions in aqueous systems reduces the direct uptake by cells.

Solar-driven hybrid photo-Fenton degradation of persistent antibiotic ciprofloxacin by zinc ferrite-titania heterostructures: degradation pathway, intermediates, and toxicity analysis.

Present work puts forward an efficient strategy to degrade one of the persistent antibiotic contaminants, ciprofloxacin (CIP). Hybrid advanced oxidation process (HAOP) is tailored with a synergy effect between photocatalysis and photo-Fenton catalysis on zinc ferrite-titania heterostructured composite (ZFO-TiO). The ZFO-TiO heterostructured composite enables heterogenous surfaces for enhanced charge separation where HAOP is implemented for CIP degradation with the aid of class AAA solar simulator.

Piezocatalytic Techniques in Environmental Remediation.

As a consequence of rapid industrialization throughout the world, various environmental pollutants have begun to accumulate in water, air, and soil. This endangers the ecological environment of the earth, and environmental remediation has become an immediate priority. Among various environmental remediation techniques, piezocatalytic techniques, which uniquely take advantage of the piezoelectric effect, have attracted much attention.

Ultra-Sensitive Impedimetric Immunosensor Using Copper Oxide Quantum Dots Grafted on the Gold Microelectrode for the Detection of Parathion.

The extensive use of organophosphates (OPs) pollutes the environment, leading to serious health hazards for human beings. The current need is to fabricate a sensing platform that will be sensitive and selective towards the detection of OPs at trace levels in the nM to fM range. With this discussed in the present report, an ultra-sensitive immunosensing platform is developed using digestive-ripened copper oxide quantum dots grafted on a gold microelectrode (Au-µE) for the impedimetric detection of parathion (PT).

Measuring tuberculosis patient perceived quality of care in public and public-private mix settings in India: an instrument development and validation study.

Background: At present, there are no validated quantitative scales available to measure patient-centred quality of care in health facilities providing services for tuberculosis (TB) patients in India and low-income and middle-income countries.

Methods: Initial themes and items reflective of TB patient's perceived quality of care were developed using qualitative interviews. Content adequacy of the items were ascertained through Content validity Index (CVI) and content validity ratio (CVR).

CoN-WN composite for efficient piezocatalytic hydrogen evolution.

A dual-phase transition metal nitride (TMN) based CoN-WN system has been fabricated using nitridation of CoWO. The interface between centrosymmetric CoN and non-centrosymmetric WN promotes charge carrier separation. This system also shows piezoelectric behavior.

A dimethyl disulfide gas sensor based on nanosized Pt-loaded tetrakaidecahedral-FeOnanocrystals.

Surface modification by employing precious metals is one of the most effective ways to improve the gas-sensing performance of metal oxide semiconductors. Pure-FeOnanoparticles and Pt-modified-FeOnanoparticles were prepared sequentially using a rather simple hydrothermal synthesis and impregnation method. Compared with the original-FeOnanomaterials, the Pt--FeOnanocomposite sensor shows a higher response value (/ = 58.

Enhanced photo-fenton and photoelectrochemical activities in nitrogen doped brownmillerite KBiFeO.

Visible-light-driven photo-fenton-like catalytic activity and photoelectrochemical (PEC) performance of nitrogen-doped brownmillerite KBiFeO (KBFO) are investigated. The effective optical bandgap of KBFO reduces from 1.67 to 1.

Boosting Oxygen Reduction for High-Efficiency H O Electrosynthesis on Oxygen-Coordinated CoNC Catalysts.

Atomically dispersed CoNC is a promising material for H O selective electrosynthesis via a two-electron oxygen reduction reaction. However, the performance of typical CoNC materials with routine CoN active center is insufficient and needs to be improved further. This can be done by fine-tuning its atomic coordination configuration.

Integrating trace amounts of Pd nanoparticles into MoN nanobelts for an improved hydrogen evolution reaction.

Significant efforts have been directed towards the use of transition metal nitrides as electrocatalysts for the hydrogen evolution reaction (HER). Molybdenum nitride, despite its potential for scalable production, suffers from the bottleneck of poor catalytic activity. Furthermore the kinetics of the water dissociation process ought to be improved for enhancing its potential.

Mesoporous TiCrN for trace HS detection with excellent long-term stability.

Efficient, accurate and reliable detection and monitoring of HS is of significance in a wide range of areas: industrial production, medical diagnosis, environmental monitoring, and health screening. However the rapid corrosion of commercial platinum-on-carbon (Pt/C) sensing electrodes in the presence of HS presents a fundamental challenge for fuel cell gas sensors. Herein we report a solution to the issue through the design of a sensing electrode, which is based on Pt supported on mesoporous titanium chromium nitrides (Pt/TiCrN).

CoMoN-An efficient multifunctional electrocatalyst.

Efficient catalysts are required for both oxidative and reductive reactions of hydrogen and oxygen in sustainable energy conversion devices. However, current precious metal-based electrocatalysts do not perform well across the full range of reactions and reported multifunctional catalysts are all complex hybrids. Here, we show that single-phase porous CoMoN prepared via a facile method is an efficient and reliable electrocatalyst for three essential energy conversion reactions; oxygen evolution reaction (OER), oxygen reduction reaction (ORR), and hydrogen evolution reaction (HER) in alkaline solutions.

Nitrogen, sulfur co-doped carbon coated zinc sulfide for efficient hydrogen peroxide electrosynthesis.

Oxygen electroreduction (ORR) via a two-electron pathway is a promising alternative for hydrogen peroxide (H2O2) synthesis in small-scale applications. In this work, nitrogen and sulfur co-doped carbon coated zinc sulfide nanoparticles (ZnS@C) are synthesized using facile high-temperature annealing. In an alkaline electrolyte, the presence of ZnS suppresses the reduction of H2O2 during the ORR and contributes to high H2O2 selectivity (∼90%) over a wide potential range (0.

Oxygen Coordination on Fe-N-C to Boost Oxygen Reduction Catalysis.

The coordination environments of iron (Fe) in Fe-N-C catalysts determine their intrinsic activities toward oxygen reduction reactions (ORR). The precise atomic-level regulation of the local coordination environments is thus of critical importance yet quite challenging to achieve. Here, atomically dispersed Fe-N-C catalyst with O-Fe-NC moieties is thoroughly studied for ORR catalysis.

Surface Functionalized Sensors for Humidity-Independent Gas Detection.

Semiconducting metal oxides (SMOXs) are used widely for gas sensors. However, the effect of ambient humidity on the baseline and sensitivity of the chemiresistors is still a largely unsolved problem, reducing sensor accuracy and causing complications for sensor calibrations. Presented here is a general strategy to overcome water-sensitivity issues by coating SMOXs with a hydrophobic polymer separated by a metal-organic framework (MOF) layer that preserves the SMOX surface and serves a gas-selective function.

Dual-Metal Interbonding as the Chemical Facilitator for Single-Atom Dispersions.

Atomically dispersed catalysts, with maximized atom utilization of expensive metal components and relatively stable ligand structures, offer high reactivity and selectivity. However, the formation of atomic-scale metals without aggregation remains a formidable challenge due to thermodynamic stabilization driving forces. Here, a top-down process is presented that starts from iron nanoparticles, using dual-metal interbonds (RhFe bonding) as a chemical facilitator to spontaneously convert Fe nanoparticles to single atoms at low temperatures.

Nickel-Iron Nitride-Nickel Sulfide Composites for Oxygen Evolution Electrocatalysis.

Advance applications like water splitting system and rechargeable metal-air battery are highly dependent on efficient electrocatalyst for the oxygen evolution reaction (OER). Heterostructured materials, with a high active surface area and electron effect, accomplish enhanced catalytic performance. Here, a nitride-sulfide composite (FeNiN-NiS) has been prepared by a simple hydrothermal process coupled with nitridation.

A Surface-Oxide-Rich Activation Layer (SOAL) on Ni Mo N for a Rapid and Durable Oxygen Evolution Reaction.

The oxygen evolution reaction (OER) is key to renewable energy technologies such as water electrolysis and metal-air batteries. However, the multiple steps associated with proton-coupled electron transfer result in sluggish OER kinetics and catalysts are required. Here we demonstrate that a novel nitride, Ni Mo N, is a highly active OER catalyst that outperforms the benchmark material RuO .

Nitridation of CoWO/CdS Nanocomposite Formed Metal Nitrides Assisting Efficiently Photocatalytic Hydrogen Evolution.

Nitridation of CoWO/CdS nanocomposite results in the formation of metal nitrides on the surface of CdS. The high electrical conductivity, appropriate binding energy for hydrogen, and Pt-like properties of the surface nitrides promote the H evolution performance. Therefore, the optimal performance of nitrided CoWO/CdS (CoWO/CdS-N, 3650 μmol·h·g) is higher than that of Pt/CdS (2948 μmol·h·g).

Geometric Structure and Electronic Polarization Synergistically Boost Hydrogen Evolution Kinetics in Alkaline Medium.

Efficient electrocatalysts for the hydrogen evolution reaction (HER) are significant for the utilization of hydrogen as a fuel, particularly under alkaline conditions. However, the sluggish kinetics of HER remains a challenge. Here we demonstrate an efficient HER catalyst comprising Ru and AgCl nanoparticles anchored on Ag nanowires (Ru/AgCl@Ag), which delivers a low overpotential of 12 mV at 10 mA cm and a Tafel slope of 38 mV decade.

A size tunable bimetallic nickel-zinc nitride as a multi-functional co-catalyst on nitrogen doped titania boosts solar energy conversion.

To enable high-efficiency solar energy conversion, rational design and preparation of low cost and stable semiconductor photocatalysts with associated co-catalysts are desirable. However preparation of efficient catalytic systems remains a challenge. Here, N-doped TiO2/ternary nickel-zinc nitride (N-TiO2-Ni3ZnN) nanocomposites have been shown to be a multi-functional catalyst for photocatalytic reactions.

Hierarchical N-Doped Porous Carbons for Zn-Air Batteries and Supercapacitors.

Nitrogen-doped carbon materials with a large specific surface area, high conductivity, and adjustable microstructures have many prospects for energy-related applications. This is especially true for N-doped nanocarbons used in the electrocatalytic oxygen reduction reaction (ORR) and supercapacitors. Here, we report a low-cost, environmentally friendly, large-scale mechanochemical method of preparing N-doped porous carbons (NPCs) with hierarchical micro-mesopores and a large surface area via ball-milling polymerization followed by pyrolysis.

Ordered mesoporous carbon assisted Fe-N-C for efficient oxygen reduction catalysis in both acidic and alkaline media.

Fe-N-C catalyst obtained by high temperature pyrolysis is one of the most promising electrocatalysts for non-precious metal oxygen reduction reaction (ORR). However, up to now, the lesser density of active sites results in a substantial performance gap between the Fe-N-C materials and the conventional Pt/C ORR catalysts. Herein, an N-doped mesoporous carbon is employed as the support for the dispersion of poly-m-phenylenediamine.