Search Results (8,475)

In this study, we present a comprehensive theoretical analysis of modifications in the physical and chemical properties of MoSe₂ upon the introduction of substitutional transition metal impurities, specifically, Ti, V, Cr, Fe, Co, Ni, Cu, W, Pd, and Pt. Wet systematically calculated the adsorption enthalpies for various representative analytes, including O₂, H₂, CO, CO₂, H₂O, NO₂, formaldehyde, and ethanol, and further evaluated their free energies across a range of temperatures. By employing the formula for probabilities, we accounted for the competition among molecules for active adsorption sites during simultaneous adsorption events. Our findings underscore the importance of integrating temperature effects and competitive adsorption dynamics to predict the performance of highly selective sensors accurately. Additionally, we investigated the influence of temperature and analyte concentration on sensor performance by analyzing the saturation of active sites for specific scenarios using Langmuir sorption theory. Building on our calculated adsorption energies, we screened the catalytic potential of doped MoSe₂ for CO₂-to-methanol conversion reactions. This paper also examines the correlations between the electronic structure of active sites and their associated sensing and catalytic capabilities, offering insights that can inform the design of advanced materials for sensors and catalytic applications. Full article

Herein, α-MnO₂-supported Pt-Pd bimetal (xPd-yPt/α-MnO₂; x and y are the weight loadings (wt%) of Pd and Pt, respectively; x = 0, 0.23, 0.47, 0.93, and 0.92 wt%; and y = 0.91, 0.21, 0.46, 0.89, and 0 wt%) catalysts were prepared using the polyvinyl alcohol-protected NaBH₄ reduction method. The physicochemical properties of the catalysts were determined by means of various techniques and their catalytic activities for toluene oxidation were evaluated. It was found that among the xPd-yPt/α-MnO₂ samples, 0.93Pd-0.89Pt/α-MnO₂ showed the best catalytic performance, with the toluene oxidation rate at 156 °C (r_cat) and space velocity = 60,000 mL/(g h) being 6.34 × 10⁻⁴ mol/(g s), much higher than that of 0.91Pt/α-MnO₂ (1.31 × 10⁻⁴ mol/(g s)) and that of 0.92Pd/α-MnO₂ (6.13 × 10⁻⁵ mol/(g s)) at the same temperature. The supported Pd-Pt bimetallic catalysts possessed higher Mn³⁺/Mn⁴⁺ and O_ads/O_latt molar ratios, which favored the enhancement in catalytic activity of the supported Pd-Pt bimetallic catalysts. Furthermore, the 0.47Pd-0.46Pt/α-MnO₂ sample showed better resistance to sulfur dioxide poisoning. The partial deactivation of 0.47Pd-0.46Pt/α-MnO₂ was attributed to the formation of sulfate species on the sample surface, which covered the active site of the sample, thus decreasing its toluene oxidation activity. In addition, the in situ DRIFTS results demonstrated that benzaldehyde and benzoate were the intermediate products of toluene oxidation. Full article

In order to improve the durability performance of sticky rice–lime paste in ancient masonry restoration materials, the effect of graphene oxide–nanosilica hybrids (GO–NS) on its basic physical properties and durability performance was investigated. The surface morphology, physical phase characteristics and infrared spectra of GO–NS and its sticky rice–lime paste were analysed by SEM, FE-TEM, XRD and FTIR. It was shown that NS successfully attached to the GO surface and improved the interlayer structure of GO. GO–NS reduces the fluidity and shrinkage of sticky rice–lime paste, prolongs the initial setting, shortens the final setting and significantly improves the compressive strength, water resistance and freeze resistance. As NS improves the interlayer structure of GO, it provides nucleation sites for the hardening of the sticky rice–lime paste, improves the quantity and structural distribution of the hardening products and reduces the pores. The NS undergoes a hydration reaction with Ca(OH)₂ in the lime to produce calcium silicate hydrate (C–S–H), which further refines the internal pore structure of the sticky rice–lime paste. As a result, the GO–NS-modified sticky rice–lime paste has a denser interior and better macroscopic properties. Full article

The topic of environmental pollution by petroleum products is highly relevant due to rapid urbanisation, including industrial development, road infrastructure and fuel distribution. Potential threat areas include refineries, fuel stations, pipelines, warehouses and transshipment bases, as well as sites affected by accidents or fuel spills. This study aimed to determine whether organic and mineral materials could mitigate the effects of diesel oil pollution on the soil’s trace element content. The used materials were compost, bentonite and calcium oxide. Diesel oil pollution had the most pronounced effect on the levels of Cd, Ni, Fe and Co. The levels of the first three elements increased, while the level of Co decreased by 53%. Lower doses of diesel oil (2.5 and 5 cm³ per kg of soil) induced an increase in the levels of the other trace elements, while higher doses caused a reduction, especially in Cr. All materials applied to the soil (compost, bentonite and calcium oxide) reduced the content of Ni, Cr and Fe. Compost and calcium oxide also increased Co accumulation in the soil. Bentonite had the strongest reducing effect on the Ni and Cr contents of the soil, reducing them by 42% and 53%, respectively. Meanwhile, calcium oxide had the strongest reducing effect on Fe and Co accumulation, reducing it by 12% and 31%, respectively. Inverse relationships were recorded for Cd (mainly bentonite), Pb (especially compost), Cu (mainly compost), Mn (mainly bentonite) and Zn (only compost) content in the soil. At the most contaminated site, the application of bentonite reduced the accumulation of Pb, Zn and Mn in the soil, while the application of compost reduced the accumulation of Cd. Applying various materials, particularly bentonite and compost, limits the content of certain trace elements in the soil. This has a positive impact on reducing the effect of minor diesel oil pollution on soil properties and can promote the proper growth of plant biomass. Full article

Land use conversion to perennial cropland often degrades the soil structure and fertility, particularly under Mediterranean climatic conditions. This study assessed spatial and temporal dynamics of soil properties and tree responses to 3-year repeated mature compost additions in a citrus orchard. Digital soil mapping revealed strong baseline heterogeneity in texture, CEC, and Si pools. Compost application markedly increased total organic C and N levels, aggregate stability, and pH with noticeable changes after the first amendment, whereas a limited C storage potential was found following further additions. NDVI values of tree canopies monitored over a 3-year period showed significant time-dependent changes not correlated with the soil fertility variables, thus suggesting that multiple interrelated factors affect plant responses. The non-crystalline amorphous Si/total amorphous Si (_iSi:Si_amor) ratio is here proposed as a novel indicator of pedogenic alteration in disturbed agroecosystems. These findings highlight the importance of tailoring organic farming strategies to site-specific conditions and reinforce the value to combine C and Si pool analysis for long-term soil fertility assessment. Full article

In the earthquakes that occurred in the Pazarcık (Mw = 7.7) and Elbistan (Mw = 7.6) districts of Kahramanmaraş Province on 6 February 2023, many buildings collapsed in the Hayrullah neighborhood of the Onikişubat district. In this study, we investigated whether there was a soil amplification effect on the damage occurring in the Hayrullah neighborhood of the Onikişubat district of Kahramanmaraş Province. Firstly, borehole, SPT, MASW (multi-channel surface wave analysis), microtremor, electrical resistivity tomography (ERT), and vertical electrical sounding (VES) tests were carried out in the field to determine the engineering properties and behavior of soil. Laboratory tests were also conducted using samples obtained from bore holes and field tests. Then, an idealized soil profile was created using the laboratory and field test results, and site dynamic soil behavior analyses were performed on the extracted profile. According to The Turkish Building Code (TBC 2018), the earthquake level DD-2 design spectra of the project site were determined and the average design spectrum was created. Considering the seismicity of the project site and TBC (2018) criteria (according to site-specific faulting, distance, and average shear wave velocity), 11 earthquake ground motion sets were selected and harmonized with DD-2 spectra in short, medium, and long periods. Using scaled motions, the soil profile was excited with 22 different earthquake scenarios and the results were obtained for the equivalent and non-linear models. The analysis showed that the soft soil conditions in the area amplified ground shaking by up to 2.8 times, especially for longer periods (1.0–2.5 s). This level of amplification was consistent with the damage observed in mid- to high-rise buildings, highlighting the important role of local site effects in the structural losses seen during the Kahramanmaraş earthquakes. Full article

Metal–organic frameworks (MOFs) have characteristics such as a large specific surface area, distinct functional sites, and an adjustable pore size. However, the inherent low conductivity of MOFs significantly affects the charge transfer efficiency when they are used for electrocatalytic sensing. Combining MOFs with conductive materials can compensate for these deficiencies. For MOF/metal nanoparticle composites (e.g., composites with gold, silver, platinum, and bimetallic nanoparticles), the high electrical conductivity and catalytic activity of metal nanoparticles are utilized, and MOFs can inhibit the agglomeration of nanoparticles. MOF/carbon-based material composites integrate the high electrical conductivity and large specific surface area of carbon-based materials. MOF/conductive polymer composites offer good flexibility and tunability. MOF/multiple conductive material composites exhibit synergistic effects. Although MOF composites provide an ideal platform for electrocatalytic reactions, current research still suffers from several issues, including a lack of comparative studies, insufficient research on structure–property correlations, limited practical applications, and high synthesis costs. In the future, it is necessary to explore new synthetic pathways and seek; inexpensive alternative raw materials. Full article

Local site conditions can significantly influence the amplitude, duration, and frequency content of seismic recordings, making the characterization of subsoil properties a critical component in seismic hazard assessment. However, despite extensive research, standardized methodologies for assessing site effects are still lacking. This study presents preliminary steps in the site characterization of a small area of Campi Flegrei caldera (Italy), with the aim of enhancing understanding of local lithology and seismic wave propagation. The analysis focuses on the broad-band seismic station CSTH, installed in 2021, and incorporates data from a temporary 2D array of five short-period sensors deployed around the station. These sensors recorded both ambient noise and seismic events associated with caldera dynamics. To improve the robustness of the characterization, data from two additional permanent broad-band stations (CPIS and CSOB) of the Istituto Nazionale di Geofisica e Vulcanologia—Osservatorio Vesuviano’s monitoring network, also located nearby a hydrothermal field, were included. Spectral analyses such as Power Spectral Density (PSD), Horizontal-to-Vertical (H/V) spectral ratios, and f-k array technique were performed to evaluate the frequency-dependent response of the site and to support the development of a comprehensive seismic site model. Full article

Residential green space is an important component of urban green space and one of the major indicators for evaluating the quality of a residential community. Traditional indicators such as the green space ratio only consider the relationship between green space area and total area of the residential community while ignoring the difference in the amount of green space enjoyed by household residents in high-rise and low-rise buildings. Therefore, it is meaningful to estimate household green space and its spatial distribution in residential communities. However, there are frequent difficulties in obtaining specific green space area and household number through ground surveys or consulting with property management units. In this study, taking a composite residential community in Chongqing, China, as the study site, we first employed a five-lens drone to capture its oblique RGB images and generated the DOM (Digital Orthophoto Map). Subsequently, the green space area and distribution in the entire residential community were extracted from the DOM using VDVI (Visible Difference Vegetation Index). The YOLACT (You Only Look At Coefficients) instance segmentation model was used to recognize balconies from the facade images of high-rise buildings to determine their household numbers. Finally, the average green space per household in the entire residential community was calculated to be 67.82 m², and those in the high-rise and low-rise building zones were 51.28 m² and 300 m², respectively. Compared with the green space ratios of 65.5% and 50%, household green space more truly reflected the actual green space occupation in high- and low-rise building zones. Full article

Exposure to per- and polyfluoroalkyl substances (PFASs) can cause detrimental health effects. The consumption of contaminated food is viewed as a major exposure pathway for humans, but the relationship between agriculture and PFASs has not been investigated thoroughly, and it is becoming a pressing issue since health advisories are continuously being reassessed. This semi-systematic literature review connects the release, environmental fate, and agriculture uptake of PFASs to enhance comprehension and identify knowledge gaps which limit accurate risk assessment. It focuses on the heavily agricultural state of Minnesota, USA, which is representative of the large Midwestern US Corn Belt in terms of agricultural activities, because PFASs have been monitored in Minnesota since the beginning of the 21st century. PFAS contamination is a complex issue due to the over 14,000 individual PFAS compounds which have unique chemical properties that interact differently with air, water, soil, and biological systems. Moreover, the lack of field studies and monitoring of agricultural sites makes accurate risk assessments challenging. Researchers, policymakers, and farmers must work closely together to reduce the risk of PFAS exposure as the understanding of their potential health effects increases and legacy PFASs are displaced with shorter fluorinated replacements. Full article

A systematic sensitivity analysis using three-dimensional discrete element models with discrete fracture networks (DEM-DFN) was conducted to evaluate underground excavation support in jointed rock masses at the CLAB2 site in Southeastern Sweden. The site features a joint network comprising six distinct joint sets, each with unique geometrical properties. The study examined 10 DFNs and 19 rock bolt patterns, both conventional and unconventional. It covered 200 scenarios, including 10 unsupported and 190 supported cases. Technical and economic criteria for stability were assessed for each support system. The results indicated that increasing rock bolt length enhances stability up to a certain point. However, multi-length rock bolt patterns with similar consumption can yield significantly different stability outcomes. Notably, the arrangement and properties of rock bolts are crucial for stability, particularly in blocks between bolting sections. These blocks remain interlocked in unsupported areas due to the induced pressure from supported sections. Although equal-length rock bolt patterns are commonly used, the analysis revealed that triple-length rock bolts (3, 6, and 9 m) provided the most effective support across all ten DFN scenarios. Full article

The objective of this study was to evaluate the physical-hydric properties of a Planosol under an Integrated Crop–Livestock–Forest (ICLF) system in the Agreste region of Paraíba, Brazil, after eight years of implementation, and to compare them with areas under a conventional cropping system and secondary native vegetation. The experiment was conducted at the experimental station located in Alagoinha, in the Agreste mesoregion of the State of Paraíba, Brazil. The experimental design adopted was a randomized block design (RBD) with five treatments and four replications (5 × 4 + 2). The treatments consisted of: (1) Gliricidia (Gliricidia sepium (Jacq.) Steud) + Signal grass (Urochloa decumbens) (GL+SG); (2) Sabiá (Mimosa caesalpiniaefolia Benth) + Signal grass (SB+SG); (3) Purple Ipê (Handroanthus avellanedae (Lorentz ex Griseb.) Mattos) + SG (I+SG); (4) annual crop + SG (C+SG); and (5) Signal grass (SG). Two additional treatments were included for statistical comparison: a conventional cropping system (CC) and a secondary native vegetation area (NV), both located near the experimental site. The CC treatment showed the lowest bulk density (1.23 g cm⁻³) and the lowest degree of compaction (66.3%) among the evaluated treatments, as well as a total porosity (TP) higher than 75% (0.75 m³ m⁻³). In the soil under the integration system, the lowest bulk density (1.38 g cm⁻³) and the highest total porosity (0.48 m³ m⁻³) were observed in the SG treatment at the 0.0–0.10 m depth. High S-index values (>0.035) and a low relative field capacity (RFc < 0.50) and K_θ indicate high structural quality and low soil water storage capacity. It was concluded that the SG, I+SG, SB+SG, and CC treatments presented the highest values of soil bulk and degree of compaction in the layers below 0.10 m. The I+SG and C+SG treatments showed the lowest hydraulic conductivities and macroaggregation. The SG and C+SG treatments had the lowest available water content and available water capacity across the three analyzed soil layers. Full article

Biodiesel, as one of the alternatives to fossil fuels, faces significant challenges in large-scale industrial production due to its high production costs. In addition to raw material costs, catalyst costs are also a critical factor that cannot be overlooked. This review summarizes various methods for preparing biodiesel catalysts from solid waste. These methods not only enhance the utilization rate of waste but also reduce the production costs and environmental impact of biodiesel. Finally, the limitations of waste-based catalysts and future research directions are discussed. Research indicates that solid waste can serve as a catalyst carrier or active material for biodiesel production. Methods such as high-temperature calcination, impregnation, and coprecipitation facilitate structural modifications to the catalyst and the formation of active sites. The doping of metal ions not only alters the catalyst’s acid-base properties but also forms stable metal bonds with functional groups on the carrier, thereby maintaining catalyst stability. The application of microwave-assisted and ultrasound-assisted methods reduces reaction parameters, making biodiesel production more economical and sustainable. Overall, this study provides a scientific basis for the reuse of solid waste and ecological protection, emphasizes the development potential of waste-based catalysts in biodiesel production, and offers unique insights for innovation in this field, thereby accelerating the commercialization of biodiesel. Full article

Background/Objectives: Most snakebite incidents in Latin America are caused by species of the Bothrops genus. Their venom induces severe local effects, against which antivenom therapy has limited efficacy. Metabolites derived from Coffea arabica have demonstrated anti-inflammatory and anticoagulant properties, suggesting their potential as therapeutic agents to inhibit the local effects induced by B. asper venom. Methods: Three enzymatic assays were performed: inhibition of the procoagulant and amidolytic activities of snake venom serine proteinases (SVSPs); inhibition of the proteolytic activity of snake venom metalloproteinases (SVMPs); and inhibition of the catalytic activity of snake venom phospholipases A₂ (PLA_2s). Additionally, molecular docking studies were conducted to propose potential inhibitory mechanisms of the metabolites chlorogenic acid, caffeine, and caffeic acid. Results: Green and roasted coffee extracts partially inhibited the enzymatic activity of SVSPs and SVMPs. Notably, the green coffee extract, at a 1:20 ratio, effectively inhibited PLA₂ activity. Among the individual metabolites tested, partial inhibition of SVSP and PLA₂ activities was observed, whereas no significant inhibition of SVMP proteolytic activity was detected. Chlorogenic acid was the most effective metabolite, significantly prolonging plasma coagulation time and achieving up to 82% inhibition at a concentration of 62.5 μM. Molecular docking analysis revealed interactions between chlorogenic acid and key active site residues of SVSP and PLA₂ enzymes from B. asper venom. Conclusions: The roasted coffee extract demonstrated the highest inhibitory effect on venom toxins, potentially due to the formation of bioactive compounds during the Maillard reaction. Molecular modeling suggests that the tested inhibitors may bind to and occupy the substrate-binding clefts of the target enzymes. These findings support further in vivo research to explore the use of plant-derived polyphenols as adjuvant therapies in the treatment of snakebite envenoming. Full article

Divinylisoprene rubber, a copolymer of butadiene and isoprene, is used as raw material for rubber technical products, combining isoprene rubber’s elasticity and butadiene rubber’s wear resistance. These properties depend quantitatively on the copolymer composition, which depends on the kinetics of its synthesis. This work aims to theoretically describe how the monomer mixture composition in the butadiene–isoprene copolymerization affects the activity of the TiCl₄-Al(i-C₄H₉)₃ catalytic system (expressed by active sites concentration) via kinetic modeling. This enables development of a reliable kinetic model for divinylisoprene rubber synthesis, predicting reaction rate, molecular weight, and composition, applicable to reactor design and process intensification. Active sites concentrations were calculated from experimental copolymerization rates and known chain propagation constants for various monomer compositions. Kinetic equations for active sites formation were based on mass-action law and Langmuir monomolecular adsorption theory. An analytical equation relating active sites concentration to monomer composition was derived, analyzed, and optimized with experimental data. The results show that monomer composition’s influence on active sites concentration is well described by a two-step kinetic model (physical adsorption followed by Ti–C bond formation), accounting for competitive adsorption: isoprene adsorbs more readily, while butadiene forms more stable active sites. Full article