Search Results (48)

The reasonable design of low-cost, high-activity single-atom catalysts (SACs) is crucial for achieving highly efficient electrochemical CO₂RR. In this study, we systematically explore, using density functional theory (DFT), the performance of transition metal (TM = Mn, Fe, Co, Ni, Cu, Zn)-doped defect-type hexagonal boron nitride (h-BN) SACs TM@B₋₁N (B vacancy) and TM@BN₋₁ (N vacancy) in both CO₂RR and the hydrogen evolution reaction (HER). Integrated crystal orbital Hamiltonian population (ICOHP) analysis reveals that these catalysts weaken the sp orbital hybridization of CO₂, which promotes the formation of radical-state intermediates and significantly reduces the energy barrier for the hydrogenation reaction. Therefore, these theoretical calculations indicate that the Mn, Fe, Co@B₋₁N, and Co@BN₋₁ systems demonstrate excellent CO₂ chemical adsorption properties. In the CO₂RR pathway, Mn@B₋₁N exhibits the lowest limiting potential (U_L = −0.524 V), and its higher d-band center (−0.334 eV), which aligns optimally with the adsorbate orbitals, highlights its excellent catalytic activity. Notably, Co@BN₋₁ exhibits the highest activity in HER, while U_L is −0.217 V. Furthermore, comparative analysis reveals that Mn@B₋₁N shows 16.4 times higher selectivity for CO₂RR than for HER. This study provides a theoretical framework for designing bifunctional SACs with selective reaction pathways. Mn@B₋₁N shows considerable potential for selective CO₂ conversion, while Co@BN₋₁ demonstrates promising prospects for efficient hydrogen production. Full article

The Co-Cr-Fe-Ni high-entropy alloy (HEA) is particularly suitable for preparing coatings due to its excellent comprehensive properties. In this study, we use the laser cladding method to prepare Co-Cr-Fe-Ni HEA coatings with Co-Cr-Fe-Ni cable-type welding wire (CTWW) as the filling material and investigated the dilution rates of the coatings by experimental studies and first-principles calculations. The dilution rate is reduced to about 50% by changing the wire feeding speed, and a Co-Cr-Fe-Ni HEA coating with near nominal composition was prepared by multi-layer cladding. The HEA coating with near nominal composition is successfully prepared in the fourth layer of cladding. The coating is dense and uniform, with good metallurgical bonding. The mechanical properties of the coating were explored using first-principles calculations. All four coatings exhibit a single face-centered cubic (FCC) phase with good mechanical stability in the ground state. The bulk modulus B, shear modulus G, and Young’s modulus E of the four layers of coatings are gradually decreasing from B = 202 GPa, G = 136 GPa, and E = 334 GPa to B = 239 GPa, G = 154 GPa, and E = 380 GPa. The brittleness of the coating shows a trend of first decreasing and then increasing, and the coating closest to the nominal composition has the highest brittleness. Full article

The aviation industry is undergoing electrification due to the increased global focus on reducing emissions in air traffic. Regarding the volatility of raw material prices, one main objective is the increase in the specific power of the motor. This matches the ambitious targets of the CoE project (Center of Excellence) in Finland on high-speed electric motors. The targeted specific power is 20 kW/kg. In this work, motors are designed and optimized for a fully electric regional aircraft. motors with different slot/pole configurations and rotational speed values are studied to determine the advantage of increasing speed in terms of weight reduction. As increasing speed requires the use of a gearbox, the overall weight of the motor and the gearbox is evaluated in post-processing, which allows for determining the impact of high speed on the overall weight. An optimization tool coupled with an electromagnetic and mechanical analysis is used to optimize 1 MW surface mounted permanent magnet synchronous motors (S-PMSMs) for given specifications of regional electric aircraft. Optimization results indicate that there is considerable gain in terms of overall weight only when increasing the speed to the range of 10,000–15,000 rpm. Full article

Lithium is one of the lightest elements on Earth and it has been in the environment since the formation of the galaxy. While a common element, it has not been found to be an essential element in biological processes, ranging from single cell organisms to Homo sapiens. Instead, at an early stage of evolution, organisms committed to a range of elements such as sodium, potassium, calcium, magnesium, zinc, and iron to serve essential functions. Such ions serve critical functions in ion channels, as co-factors in enzymes, as a cofactor in oxygen transport, in DNA replication, as a storage molecule in bone and liver, and in a variety of other roles in biological processes. While seemingly excluded from a major essential role in such processes, lithium ions appear to be able to modulate a variety of biological processes and “correct” deviation from normal activity, as a deficiency of lithium can have biological consequences. Lithium salts are found in low levels in many foods and water supplies, but the effectiveness of Li salts to affect biological systems came to recent prominence with the work of Cade, who reported that administrating Li salts calmed guinea pigs and was subsequently effective at relatively high doses to “normalize” a subset of patients with bipolar disorders. Because of its ability to modulate many biological pathways and processes (e.g., cyclic AMP, GSK-3beta, inositol metabolism, NaK ATPases, neuro processes and centers, immune-related events, respectively) both in vitro and in vivo and during development and adult life, Li salts have become both a useful tool to better understand the molecular regulation of such processes and to also provide insights into altered biological processes in vivo during aging and in disease states. While the range of targets for lithium action supports its possible role as a modulator of biological dysregulation, it presents a conundrum for researchers attempting to elucidate its specific primary target in different tissues in vivo. This review will discuss aspects of the state of knowledge regarding some of the systems that can be influenced, focusing on those involving neural and autoimmunity as examples, some of the mechanisms involved, examples of how Li salts can be used to study model systems, as well as suggesting areas where the use of Li salts could lead to additional insights into both disease mechanisms and natural processes at the molecular and cell levels. In addition, caveats regarding lithium doses used, the strengths and weaknesses of rodent models, the background genetics of the strain of mice or rats employed, and the sex of the animals or the cells used, are discussed. Low-dose lithium may have excellent potential, alone or in combination with other interventions to prevent or alleviate aging-associated conditions and disease progression. Full article

Balance is integral in ankle injury prevention and therapy, especially in high-risk sports like volleyball. For balance assessment, the recommended wobble board (WB) performance (i.e., time at equilibrium) has never been compared with the gold standard. The objective was to investigate the relationships of force-plate-derived center of pressure (CoP) with WB performance and the accuracy of WB-derived CoP estimates. Twelve high-level volleyball players completed six unipedal standing trials on a computerized WB. WB tilt angles and CoP were obtained simultaneously via tri-axis accelerometers on the WB (200 Hz) and a force plate (1000 Hz), respectively. WB performance, polynomial-transformed CoP estimates, and CoP fractal sway, sway area, and mean sway velocity were assessed via Pearson and concordance correlation, root mean square errors, and dependent t-tests. WB performance was related with CoP sway and sway area (|r_linear| = 0.714–0.842, |r_nonlinear| = 0.833–0.910, p < 0.01). The strongest concordance (0.878–0.893, p < 0.001) and smallest errors (6.5–10.7%) were reported for anterior–posterior sway and sway area. Moderate to excellent relationships between the WB performance and force plate CoP variables supported the usefulness of WB performance and estimates (especially sway area) in balance assessment. Furthermore, this study presents recommendations for future analyses and modeling approaches to reflect the complexity of postural control. Full article

Scholars are looking for solutions to substitute hazardous substances in manufacturing nanocellulose from bio-sources to preserve the world’s growing environmental consciousness. During the past decade, there has been a notable increase in the use of cellulose nanocrystals (CNCs) in modern science and nanotechnology advancements because of their abundance, biocompatibility, biodegradability, renewability, and superior mechanical properties. Spherical cellulose nanocrystals (J–CNCs) were successfully synthesized from Jenfokie micro-cellulose (J–MC) via sulfuric acid hydrolysis in this study. The yield (up to 58.6%) and specific surface area (up to 99.64 m²/g) of J–CNCs were measured. A field emission gun–scanning electron microscope (FEG-SEM) was used to assess the morphology of the J–MC and J–CNC samples. The spherical shape nanoparticles with a mean nano-size of 34 nm for J–CNCs were characterized using a transmission electron microscope (TEM). X-ray diffraction (XRD) was used to determine the crystallinity index and crystallinity size of J–CNCs, up to 98.4% and 6.13 nm, respectively. The chemical composition was determined using a Fourier transform infrared (FT–IR) spectroscope. Thermal characterization of thermogravimetry analysis (TGA), derivative thermogravimetry (DTG), and differential thermal analysis (DTA) was conducted to identify the thermal stability and cellulose pyrolysis behavior of both J–MC and J–CNC samples. The thermal analysis of J–CNC indicated lower thermal stability than J–MC. It was noted that J–CNC showed higher levels of crystallinity and larger crystallite sizes than J–MC, indicating a successful digestion and an improvement of the main crystalline structure of cellulose. The X-ray diffraction spectra and TEM images were utilized to establish that the nanocrystals’ size was suitable. The novelty of this work is the synthesis of spherical nanocellulose with better properties, chosen with a rich source of cellulose from an affordable new plant (studied for the first time) by stepwise water-retted extraction, continuing from our previous study. Full article

This study explores the dynamics of liquid holdup in a lab-scale co-current two-phase upflow moving packed bed reactor, specifically examining how superficial gas velocity influences the line average external liquid holdup at a fixed superficial liquid velocity. Utilizing gamma-ray densitometry (GRD) for precise measurements, this research extends to determining line average internal porosity within catalyst particles. Conducted with an air–water system within a bed packed with 3 mm porous particles, the study presents a novel methodology using Beer–Lambert’s law to calculate liquid, gas, and solid holdups and catalyst porosity that is equivalent to the internal liquid holdup that fills the catalyst pores. Findings reveal a decrease in liquid holdup corresponding with increased superficial gas velocity across axial and radial locations, with a notable transition from bubbly to pulse flow regime at a critical velocity of 3.8 cm/sec. Additionally, the lower sections of the packed bed exhibited higher external liquid holdup compared to the middle sections at varied gas velocities. The liquid holdup distribution appeared uniform at lower flow rates, whereas higher flow rates favored the middle sections. Full article

Thymic stromal lymphopoietin (TSLP), mainly expressed by epithelial cells, plays a central role in asthma. In humans, TSLP exists in two variants: the long form TSLP (lfTSLP) and a shorter TSLP isoform (sfTSLP). Macrophages (HLMs) and mast cells (HLMCs) are in close proximity in the human lung and play key roles in asthma. We evaluated the early proteolytic effects of tryptase and chymase released by HLMCs on TSLP by mass spectrometry. We also investigated whether TSLP and its fragments generated by these enzymes induce angiogenic factor release from HLMs. Mass spectrometry (MS) allowed the identification of TSLP cleavage sites caused by tryptase and chymase. Recombinant human TSLP treated with recombinant tryptase showed the production of 1-97 and 98-132 fragments. Recombinant chymase treatment of TSLP generated two peptides, 1-36 and 37-132. lfTSLP induced the release of VEGF-A, the most potent angiogenic factor, from HLMs. By contrast, the four TSLP fragments generated by tryptase and chymase failed to activate HLMs. Long-term TSLP incubation with furin generated two peptides devoid of activating property on HLMs. These results unveil an intricate interplay between mast cell-derived proteases and TSLP. These findings have potential relevance in understanding novel aspects of asthma pathobiology. Full article

Natural and synthetic fibers offer a multitude of advantages within the automotive sector, primarily due to their lightweight properties, including appealing characteristics such as adequate mechanical strength, low density, improved acoustic–thermal insulation, cost-effectiveness, and ready availability. In this study, we aimed to strengthen epoxy-based composites with natural and synthetic fibers using bamboo and glass, respectively. Additionally, the reinforcement processing of this hybrid composite material was optimized using a Taguchi L9 (nine experimental runs) orthogonal array design with linear modeling through the Design of Experiment (DoE) principles. The fibers were alkali-treated with sodium hydroxide (NaOH), and the composites were manufactured through the hand lay-up process at ambient temperature and characterized comprehensively using ASTM standard methods. The experimental results of the bamboo–glass fiber composite materials presented a significantly high tensile strength of 232.1 MPa and an optimum flexural strength of 536.33 MPa. Based on the overall Taguchi and linear modeling analysis, the NaOH treatment, fiber content, and epoxy resin concentration were optimized. These findings reveal that the ideal combination consists of 20% fiber content, 8% NaOH treatment, and 65% epoxy resin concentration. The statistical method Analysis of Variance (ANOVA) was employed to confirm the significance of these factors. The integration of the amount (%) of bamboo fiber used played a pivotal role in influencing the mechanical properties of this hybrid composite. Overall, this study demonstrates that the reinforcement of natural fiber with polymeric material composites on epoxy enhanced the composite characteristics and quality. Therefore, this bamboo–glass–epoxy-based composite can be recommended for lightweight structural applications, especially in the automotive sector, in the future. Full article

The purpose of this paper is to evaluate the properties of Ethiopian bamboo fibre polymer composites as headliners in the automobile industry. Bamboo fibres are developed using the roll milling technique, and bamboo fibre epoxy composites (BFEPCS) are developed using a compression mould and a hot press machine. The mechanical properties are measured based on the recommended procedure of the ASTM. In total, 40% of the volume fraction of fibres is used to produce polymer composites. An accurate evaluation of its mechanical properties is thus critical for predicting its behaviour during a vehicle’s interior impact assessment. Conventional headliner materials are heavier, non-biodegradable, expensive, and non-sustainable during processing compared to the currently researched materials. Three representatives of bamboo plants are harvested in three regions of bamboo species, three groups of ages, and two harvesting months. Two-year-old bamboo fibres have the highest mechanical properties of all ages, and November has a higher mechanical properties compared to February. Inji-bara and Kom-bolcha have the highest and lowest mechanical properties, respectively. BFEPCs have high mechanical properties compared to BFPPCs. The mechanical properties of the current research findings have higher measured values compared to Jute felt PU, CFPU, GFMPU, BFPP, BFEP, PP foam, and TPU. The flexural strength of BFPCs has higher properties compared to their tensile strength. Ethiopian bamboo fibres and their polymer composites have the best mechanical properties for the composite industry, which is used for headliner materials in the automobile industry, compared to conventional headliner materials. Full article

Friction stir consolidation (FSC) is a promising manufacturing process for metal matrix hybrid composites (MMHC) with excellent mechanical properties. The originality of this study involves the exploration of the fabrication technique (FSC), the selection of materials and the optimization of wear behavior via a systematic investigation of the process parameters. The aim of this study was to optimize and investigate the wear behavior of MMHCs fabricated using FSC. The optimum sample was nominated for thermogravimetric analysis (TGA) and wear morphology analysis using SEM imaging. Material compositions of 7.5%wt of SiC, 7.5%wt of ZrO2 and 85%wt of AZ61 were considered for the experimental investigation. The RSM Box–Behnken design followed by a genetic algorithm (GA) was implemented to optimize the process parameters of sliding distance, speed and load at 350 m, 500 m and 650 m; 220 rpm, 240 rpm and 260 rpm; and 20 N, 30 N and 40 N, respectively. The RSM Box–Behnken result showed that the minimum wear rate of 0.008 mg/m was obtained at 350 m, 20 N and 240 rpm, whereas GA predicted the optimum parametric setup at 350 m, 20 N and 220 rpm. Additionally, TGA showed the material’s thermal stability from 375 °C to 480 °C. Generally, MMHCs exhibited a promising wear performance, proving the effectiveness of the FSC. Full article

Ni/Pd co-modified graphene hydrogen storage materials were successfully prepared by a solvothermal method using NiCl₂·6H₂O and Pd(OAc)₂ and reduced graphene oxide (rGO). By adjusting the hydrothermal temperature, Pd–Ni is successfully alloyed, and the size of the obtained nanoparticles is uniform. The electronic structure of Pd was changed by alloying, and the center of the D-band moved down, which promoted the adsorption of hydrogen. The NiPd-rGO-180 sample, in which 180 represents the solvothermal temperature in centigrade (°C), has the highest hydrogen storage capacity of 2.65 wt% at a moderate condition (RT/4MPa). The excellent hydrogen storage performance benefits from the synergistic hydrogen spillover effect of Pd–Ni bimetal. The calculated hydrogen adsorption energies of Ni₂Pd₂-rGO are within the ideal range (−0.20 to −0.60 eV) of hydrogen ads/desorption; however, the introduction of substrate defects and the cluster orientation alter the hydrogen adsorption energy. This work provides an effective reference for the design and optimization of carbon-based hydrogen storage materials. Full article

High-pressure direct injection diesel/methanol dual-fuel engines exhibit excellent emission reduction potential, but they are still in the initial stage of research and development. The influences of different methanol injection locations, injection duration, and injection pressures on combustion characteristics, mixture homogeneity, and exhaust emissions are investigated to explore appropriate injection strategies and further optimize the engine performance base using CONVERGE software. The results show that the impact of the methanol injection position on the engine is relatively small, especially on combustion characteristics. A larger axial nozzle distance contributes to the formation of the homogeneous mixture, improving the engine economy. However, the engine performance is remarkably affected by methanol injection duration and methanol injection pressure. A shorter combustion duration is achieved with a decrease in the methanol injection duration and an increase in the methanol injection pressure, as a result of which the fuel economy is improved, with the combustion process more concentrated near the top dead center. Simultaneously, the mixture homogeneity is enhanced, which is conducive to a reduction in soot and CO emissions, yet not to a NO_X and HC reduction. The lowest overall emissions of NO_X, soot, CO, and HC are achieved when the radial nozzle distance and axial nozzle distance are 2.5 mm and 0.5 mm, respectively. Besides, the combustion characteristics and emissions of the engine are affected significantly under different methanol injection locations and injection pressures. The increased injection interval leads to deteriorating combustion characteristics and economy, i.e., a delayed combustion phase (CA50), an extended ignition delay and combustion duration (CA10–CA90), thereby increasing CO and soot emissions, but decreasing NO_X emission. Additionally, the optimal economy and exhaust emissions are obtained when adopting an injection duration of 6 °CA and an injection pressure of 44.4 MPa. The ITE is increased in this case compared to the other injection strategies, thereby improving the engine performance significantly. The results provide parametric feedback and theoretical support for the design of high-pressure direct injection diesel/methanol dual-fuel engines from a time and space perspective, which has certain theoretical significance. Full article

A challenge in mimicking tyrosinase activity using model compounds is to reproduce its enantioselectivity. Good enantioselection requires rigidity and a chiral center close to the active site. In this study, the synthesis of a new chiral copper complex, [Cu₂(mXPhI)]^4+/2+, based on an m-xylyl-bis(imidazole)-bis(benzimidazole) ligand containing a stereocenter with a benzyl residue directly bound on the copper chelating ring, is reported. Binding experiments show that the cooperation between the two metal centers is weak, probably due to steric hindrance given by the benzyl group. The dicopper(II) complex [Cu₂(mXPhI)]⁴⁺ has catalytic activity in the oxidations of enantiomeric couples of chiral catechols, with an excellent discrimination capability for Dopa-OMe enantiomers and a different substrate dependence, hyperbolic or with substrate inhibition, for the L- or D- enantiomers, respectively. [Cu₂(mXPhI)]⁴⁺ is active in a tyrosinase-like sulfoxidation of organic sulfides. The monooxygenase reaction requires a reducing co-substrate (NH₂OH) and yields sulfoxide with significant enantiomeric excess (e.e.). Experiments with ¹⁸O₂ and thioanisole yielded sulfoxide with 77% incorporation of ¹⁸O, indicating a reaction occurring mostly through direct oxygen transfer from the copper active intermediate to the sulfide. This mechanism and the presence of the chiral center of the ligand in the immediate copper coordination sphere are responsible for the good enantioselectivity observed. Full article

Solar thermal energy-powered air conditioning technologies are receiving increased attention. Among the solar energy-driven cooling technologies, open type liquid desiccant air conditioning (AC) system is emerging as a promising technology, which has a solar driven desiccant solution regenerator. In this type of system, the evaporation of water and concentrating the desiccant or regenerator performance determines the cooling performance of the AC system, which necessitates its development and experimental performance testing under actual operating conditions. The setup is made of a black painted corrugated solar collector of area 0.8 m × 1.84 m covered with glass, and a liquid desiccant solution tank and distribution system over the absorber. Solar regeneration experiments on calcium chloride–water solution were carried out on the setup and a total of five sets of meteorological, collector and solution property data were collected through concentrating the desiccant from 32.9 initially to 51.3% in five days. The evaporation of water from the regenerator was analyzed using energy and desiccant mass conservation. For a typical day, the mass of water evaporated was estimated to be 3.10 and 3.16 kg over a day, as estimated by conservation of mass and energy principles from a 34.8 kg of calcium chloride solution with initial desiccant concentration of 43.6% stored in the tank. Full article