Search Results (7,814)

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

Background/Objectives: Androgen deprivation therapy (ADT) is the mainstay of prostate cancer treatment, especially in advanced disease. In particular, the gonadotropin-releasing hormone agonists (aGnRH) reduce the production of gonadotropin and, therefore, of testosterone. In about 10% of patients, the non-pulsatile stimulation of GnRH receptor initially causes a surge in LH and testosterone, defined as the “flare-up phenomenon”, leading to increased bone pain, spinal cord compression, bladder outlet obstruction and cardiovascular issues. To mitigate this effect, combining a first-generation antiandrogen agent (FGA) with aGnRH is recommended. However, second-generation anti-androgens, such as apalutamide, bind selectively and irreversibly to the androgen receptor (AR), exhibiting a more efficient inhibition of the AR pathway. Methods: This is a descriptive retrospective study of 27 patients (pts) with mHSPC, treated at a single center (“Santa Maria delle Grazie” Hospital in Pozzuoli, ASL Napoli 2 Nord, Italy) between June 2022 and April 2024. Patients received apalutamide monotherapy for 14 days followed by continuous combination with aGnRH plus apalutamide. Serum PSA and testosterone levels were measured at baseline, at day 14 (after 13 days of apalutamide monotherapy), at day 28 (after an additional 15 days of apalutamide plus a aGnRH), and at day 60. Results: PSA levels decreased from a mean of 45.2 (±63.1) ng/mL at baseline to a mean of 12.6 (±23.4) ng/mL at day 14 and to 3.3 ng/mL (±6.0) at day 28 of treatment. After 14 days of apalutamide monotherapy, 21 patients (77.8%) achieved a >50% PSA reduction and 4 (14.8%) a >90% PSA reduction. The number of patients with undetectable PSA was one (3.7%) at day 14, two (7.4%) at day 28, and nine (33.3%) at day 60. The mean serum testosterone levels were 6.56 (±4.46) ng/mL at baseline, 6.58 (±4.42) ng/mL at day 14, and 2.40 (± 3.38) ng/mL at day 28. No significant difference in PSA and testosterone level reduction during treatment emerged between subgroups of patients with low- vs. high-volume disease. Conclusions: Apalutamide alone is a viable option for mitigating the flare-up phenomenon, avoiding first generation anti-androgen therapy, and it can achieve rapid and deep biochemical control. Full article

Background and Objectives: Spinopelvic alignment may affect the outcomes of total hip arthroplasty (THA), with pelvic version influencing the risk of mechanical complications occurring after surgery. On the other hand, THA surgery itself may contribute to the modification of pelvis version. The sacro-femoro-pubic (SFP) angle is measured on anteroposterior (AP) radiographs of the pelvis in a supine position, and is used to estimate pelvic tilt (PT), representative of pelvic version, which requires lateral views of the sacrum for its calculation; however, these X rays are not routinely performed in the preoperative setting of hip surgery. This study aims to analyze how THA determines changes in the pelvic version of operated patients; the SFP angle will be used to assess pelvic version on standard AP radiographs. Materials and Methods: This retrospective study included 182 consecutive patients undergoing THA for unilateral primary degenerative hip osteoarthritis (HOA-study group, n = 104) or femoral neck fracture (FNF-control group, n = 78) at the author’s institution. The SFP angle was measured on AP pelvic radiographs of the non-replaced hip preoperatively, postoperatively, and at the last follow-up. PT values were derived from SFP angles. Pre- and postoperative PT and its variations ΔPT were assessed. Study groups were compared in terms of native and postoperative variations of pelvic version. Results: The average absolute value of ΔPT was 2.99° ± 3.07° in the HOA group and 3.57° ± 2.92° in FNF group. There was no significant overall difference in preoperative or postoperative PT values between groups. In both groups, THA surgery led to a certain improvement, still not significant, in pelvic orientation, with FNF patients presenting a greater tendency toward retroversion. No significant differences in complication rates were found comparing patients with different pelvic orientations. Conclusions: THA can lead to a “normalization” of pelvic version in a certain number of patients with preoperative anteversion or retroversion. Although statistically non-significant, this observation may have clinical implications for spinopelvic balance and could support prioritizing THA in patients with concurrent spinal disease. Further research is needed to confirm these findings and to evaluate the long-term impact of THA on spinopelvic alignment. Full article

Industrial catalysts are accelerating the global transition toward renewable energy, serving as enablers for innovative technologies that enhance efficiency, lower costs, and improve environmental sustainability. This review explores the pivotal roles of industrial catalysts in hydrogen production, biofuel generation, and biomass conversion, highlighting their transformative impact on renewable energy systems. Precious-metal-based electrocatalysts such as ruthenium (Ru), iridium (Ir), and platinum (Pt) demonstrate high efficiency but face challenges due to their cost and stability. Alternatives like nickel-cobalt oxide (NiCo₂O₄) and Ti₃C₂ MXene materials show promise in addressing these limitations, enabling cost-effective and scalable hydrogen production. Additionally, nickel-based catalysts supported on alumina optimize SMR, reducing coke formation and improving efficiency. In biofuel production, heterogeneous catalysts play a crucial role in converting biomass into valuable fuels. Co-based bimetallic catalysts enhance hydrodeoxygenation (HDO) processes, improving the yield of biofuels like dimethylfuran (DMF) and γ-valerolactone (GVL). Innovative materials such as biochar, red mud, and metal–organic frameworks (MOFs) facilitate sustainable waste-to-fuel conversion and biodiesel production, offering environmental and economic benefits. Power-to-X technologies, which convert renewable electricity into chemical energy carriers like hydrogen and synthetic fuels, rely on advanced catalysts to improve reaction rates, selectivity, and energy efficiency. Innovations in non-precious metal catalysts, nanostructured materials, and defect-engineered catalysts provide solutions for sustainable energy systems. These advancements promise to enhance efficiency, reduce environmental footprints, and ensure the viability of renewable energy technologies. Full article

Background: Virtual reality (VR), often used with motion sensors, provides interactive tools for physiotherapy aimed at enhancing motor functions. This systematic review examined the effects of VR-based interventions, alone or combined with conventional physiotherapy (PT), on balance and gait in individuals with Parkinson’s disease (PD). Methods: Following PRISMA guidelines, eight randomized controlled trials (RCTs) published between January 2019 and April 2025 were included. Interventions lasted between 5 and 12 weeks and were grouped as VR alone or VR combined with PT. Methodological quality was assessed using the PEDro Scale. Results: Of the 31 comparisons for balance and gait, 30 were favored by the experimental group, with 12 reaching statistical significance. Secondary outcomes (function, cognition, and quality of life) showed mixed results, with 6 comparisons favoring the experimental group (3 statistically significant) and 4 favoring the control group (1 statistically significant). Overall, the studies showed fair to good quality and a moderate risk of bias. Conclusions: VR-based interventions, particularly when combined with PT, show promise for improving balance and gait in PD. However, the evidence is limited by the small number of studies, heterogeneity of protocols, and methodological constraints. More rigorous, long-term trials are needed to clarify their therapeutic potential. Full article

Ischemic stroke is a serious disease that frequently occurs in the elderly and is characterized by a complex pathophysiology and a limited number of effective therapeutic agents. Salvianolic acid A (SAL-A) is a natural product derived from the rhizome of Salvia miltiorrhiza, which possesses diverse pharmacological activities. This study aims to investigate the effect and mechanisms of SAL-A in inhibiting ferroptosis to improve ischemic stroke. Brain injury, oxidative stress and ferroptosis-related analysis were performed to evaluate the effect of SAL-A on ischemic stroke in photochemical induction of stroke (PTS) in mice. Lipid peroxidation levels, antioxidant protein levels, tissue iron content, nuclear factor erythroid 2-related factor 2 (Nrf2), and mitochondrial morphology changes were detected to explore its mechanism. SAL-A significantly attenuated brain injury, reduced malondialdehyde (MDA) and long-chain acyl-CoA synthase 4 (ACSL4) levels. In addition, SAL-A also amplified the antioxidative properties of glutathione (GSH) when under glutathione peroxidase 4 (GPX4), and the reduction in ferrous ion levels. In vitro, brain microvascular endothelial cells (b.End.3) exposed to oxygen-glucose deprivation/reoxygenation (OGD/R) were used to investigate whether the anti-stroke mechanism of SAL-A is related to Nrf2. Following OGD/R, ML385 (Nrf2 inhibitor) prevents SAL-A from inhibiting oxidative stress, ferroptosis, and mitochondrial dysfunction in b.End.3 cells. In conclusion, SAL-A inhibits ferroptosis to ameliorate ischemic brain injury, and this effect is mediated through Nrf2. Full article

Flavonoids serve as crucial plant antioxidants in drought tolerance, yet their antioxidant regulatory mechanisms within mycorrhizal plants remain unclear. In this study, using a two-factor design, trifoliate orange (Poncirus trifoliata (L.) Raf.) seedlings in the four-to-five-leaf stage were either inoculated with Funneliformis mosseae or not, and subjected to well-watered (70–75% of field maximum water-holding capacity) or drought stress (50–55% field maximum water-holding capacity) conditions for 10 weeks. Plant growth performance, photosynthetic physiology, leaf flavonoid content and their antioxidant capacity, reactive oxygen species levels, and activities and gene expression of key flavonoid biosynthesis enzymes were analyzed. Although drought stress significantly reduced root colonization and soil hyphal length, inoculation with F. mosseae consistently enhanced the biomass of leaves, stems, and roots, as well as root surface area and diameter, irrespective of soil moisture. Despite drought suppressing photosynthesis in mycorrhizal plants, F. mosseae substantially improved photosynthetic capacity (measured via gas exchange) and optimized photochemical efficiency (assessed by chlorophyll fluorescence) while reducing non-photochemical quenching (heat dissipation). Inoculation with F. mosseae elevated the total flavonoid content in leaves by 46.67% (well-watered) and 14.04% (drought), accompanied by significantly enhanced activities of key synthases such as phenylalanine ammonia-lyase (PAL), chalcone synthase (CHS), chalcone isomerase (CHI), 4-coumarate:coA ligase (4CL), and cinnamate 4-hydroxylase (C4H), with increases ranging from 16.90 to 117.42% under drought. Quantitative real-time PCR revealed that both mycorrhization and drought upregulated the expression of PtPAL1, PtCHI, and Pt4CL genes, with soil moisture critically modulating mycorrhizal regulatory effects. In vitro assays showed that flavonoid extracts scavenged radicals at rates of 30.07–41.60% in hydroxyl radical (•OH), 71.89–78.06% in superoxide radical anion (O₂^•−), and 49.97–74.75% in 2,2-diphenyl-1-picrylhydrazyl (DPPH). Mycorrhizal symbiosis enhanced the antioxidant capacity of flavonoids, resulting in higher scavenging rates of •OH (19.07%), O₂^•− (5.00%), and DPPH (31.81%) under drought. Inoculated plants displayed reduced hydrogen peroxide (19.77%), O₂^•− (23.90%), and malondialdehyde (17.36%) levels. This study concludes that mycorrhizae promote the level of total flavonoids in trifoliate orange by accelerating the flavonoid biosynthesis pathway, hence reducing oxidative damage under drought. Full article

The development of gas sensors with high sensitivity and low operating temperatures is essential for practical applications in environmental monitoring and industrial safety. SnO₂-based gas sensors, despite their widespread use, often suffer from high working temperatures and limited sensitivity to H₂ gas, which presents significant challenges for their performance and application. This study addresses these issues by introducing a novel SnO₂-based sensor featuring a three-dimensional (3D) nanostructure, designed to enhance sensitivity and allow for room-temperature operation. This work lies in the use of a 3D anodic aluminum oxide (AAO) template to deposit SnO₂ nanoparticles through ultrasonic spray pyrolysis, followed by modification with platinum (Pt) nanoparticles to further enhance the sensor’s response. The as-prepared sensors were extensively characterized, and their H₂ sensing performance was evaluated. The results show that the 3D nanostructure provides a uniform and dense distribution of SnO₂ nanoparticles, which significantly improves the sensor’s sensitivity and repeatability, especially in H₂ detection at room temperature. This work demonstrates the potential of utilizing 3D nanostructures to overcome the traditional limitations of SnO₂-based sensors. Full article

Highly efficient and stable non-Pt-based electrocatalysts for oxygen reduction reactions (ORRs) are highly desirable in energy conversion and storage systems. Herein, we report a hydrothermally synthesized metal chalcogenide cluster-based framework (NCF-3-Mn), which is decorated with transition metal complexes ([Mn(TEPA)]²⁺, TEPA = tetraethylenepentamine), for an electrocatalytic O₂ reduction reaction (ORR). Benefitting from the abundant Mn-S bonds and Mn-N-C structures in NCF-3-Mn, it was found that NCF-3-Mn displayed a high onset potential (0.90 V) and an efficient four-electron transfer reaction pathway, which are much better than those of its analogue framework (T2-GaSbS). Moreover, NCF-3-Mn also exhibited a considerable long-term stability and methanol resistance toward ORRs. This work will present new opportunities for exploring the utilization of chalcogenide frameworks as novel non-Pt electrocatalysts for ORRs. Full article

Aqueous organic redox flow batteries (AORFBs) represent an advancing class of electrochemical energy storage systems showing considerable promise for large-scale grid integration due to their unique aqueous organic chemistry. However, the use of small-molecule active materials in AORFBs is significantly limited by the issue of stability and crossover. To address these challenges, we designed a high-water-solubility polymer cathode material, P-T-S, which features a polyvinylimidazole backbone functionalized with 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and sulfonate groups. P-T-S exhibits a solubility of 34 Ah L⁻¹ in water and 31 Ah L⁻¹ in 1.0 M NaCl aqueous solution (NaCl_aq). When paired with methyl viologen to assemble a pH-neutral AORFB with a theoretical capacity of 15 Ah L⁻¹, the system exhibits a material utilization rate of 92.0%, an average capacity retention rate of 99.74% per cycle (99.74% per hour), and an average Coulombic efficiency of 98.69% over 300 consecutive cycles at 30 mA cm⁻². This work provides a new design strategy for polymer materials for high-performance AORFBs. Full article

Surface and sub-surface atomic configurations are critical for catalysis as they host the active sites governing electrochemical processes. This study employs density functional theory (DFT) calculations and Monte Carlo simulations combined with the cluster-expansion approach to investigate atom distribution and Pt segregation in Pt-Fe alloys across varying Pt/Fe ratios. Our simulations reveal a strong tendency for Pt atoms to segregate to the surface layer while Fe atoms enrich the sub-surface region. Crucially, the calculations predict the stability of a periodic Pt₂Fe alloy surface model, characterized by specific defect structures, at low platinum content and low annealing temperatures. Electronic structure analysis indicates that forming this Pt₂Fe surface alloy lowers the d-band center of Pt atoms, weakening CO adsorption and thereby enhancing resistance to CO poisoning. Although defect-induced strains can modulate the d-band center, crystal orbital Hamilton population (COHP) analysis confirms that such strains generally strengthen Pt-CO interactions. Therefore, the theoretical design of Pt₂Fe alloy surfaces and controlling defect density are predicted to be effective strategies for enhancing catalyst resistance to CO poisoning. This work highlights the advantages of periodic Pt₂Fe surface models for anti-CO poisoning and provides computational guidance for designing efficient Pt-based electrocatalysts. Full article

The Jinbaoshan Pt-Pd deposit is China’s largest independent PGM deposit. However, the deposit has not been utilized until now because of the low grade of precious metals, the complex mineral composition, and, notably, the presence of precious metals in the microgranular material disseminated to other minerals. Its high MgO content, in particular, is regarded as a challenge for efficiently recovering precious metals via mature pyrometallurgical methods. In this research, the feasibility of a smelting process to recover precious metals from Jinbaoshan Pt-Pd concentrates at a conventional smelting temperature (1350 °C) with the addition of iron ore as a metal collector and SiO₂ and CaO as fluxes was verified on the basis of thermodynamic slag design and experimental analyses. Under the optimal conditions of 100 g of the Pt-Pd concentrates, 32.5 g of SiO₂, 7.5 g of CaO, and 30 g of iron ore at 1350 °C for 1 h, the extraction efficiencies of Au, Pt, and Pd were 94.66%, 96.75%, and 97.28%, respectively. This strategy enables the rapid collection of PGMs from Jinbaoshan Pt-Pd concentrates at the conventional temperature within a short time and minimizes the use of fluxes and collectors, contributing to energy and cost conservation. Full article

This study comprehensively compares the performance of two non-destructive testing (NDT) techniques—active thermography (AT) and digital shearography (DS)—for identifying various damage types in composite structures. Three distinct composite specimens were inspected: a carbon-fiber-reinforced polymer (CFRP) plate with flat-bottom holes, an aluminum honeycomb core sandwich plate with a circular skin-core disbond, and a CFRP plate with two low-energy impacts damage. The research highlights the significant role of post-processing methods in enhancing damage detectability. For AT, algorithms such as fast Fourier transform (FFT) for temperature phase extraction and principal component thermography (PCT) for identifying significant temperature components were employed, generally making anomalies brighter and easier to locate and size. For DS, a novel band-pass filtering approach applied to phase maps, followed by summing the filtered maps, remarkably improved the visualization and precision of damage-induced anomalies by suppressing background noise. Qualitative image-based comparisons revealed that DS consistently demonstrated superior performance. The sum of DS filtered phase maps provided more detailed and precise information regarding damage location and size compared to both pulsed thermography (PT) and lock-in thermography (LT) temperature phase and amplitude. Notably, DS effectively identified shallow flat-bottom holes and subtle imperfections that AT struggled to clearly resolve, and it provided a more comprehensive representation of the impacts damage location and extent. This enhanced capability of DS is attributed to the novel phase map filtering approach, which significantly improves damage identification compared to the thermogram post-processing methods used for AT. Full article

Carbon monoxide (CO) is a major toxic gas emitted from vehicle exhaust, industrial processes, and incomplete fuel combustion, posing serious environmental and health risks. Catalytic oxidation of CO into less harmful CO₂ is an effective strategy to reduce these emissions. In this study, we investigated the catalytic performance of platinum (Pt) single atoms doped on C₃N monolayers with various vacancy defects, including single carbon (C_V) and nitrogen (N_V) vacancies, using density functional theory (DFT) calculations. Our results demonstrate that Pt@N_V-C₃N exhibited the most favorable catalytic properties, with the highest O₂ adsorption energy (−3.07 eV). This performance significantly outperforms Pt atoms doped at other vacancies. It can be attributed to the strong binding between Pt and nitrogen vacancies, which contributes to its excellent resistance to Pt aggregation. CO oxidation on Pt@N_V-C₃N proceeds via the Eley–Rideal (ER2) mechanism with a low activation barrier of 0.41 eV for the rate-determining step, indicating high catalytic efficiency at low temperatures. These findings suggest that Pt@N_V-C₃N is a promising candidate for CO oxidation, contributing to developing cost-effective and environmentally sustainable catalysts. The strong binding of Pt atoms to the nitrogen vacancies prevents aggregation, ensuring the stability and durability of the catalyst. The kinetic modeling further revealed that the ER2 mechanism offers the highest reaction rate constants over a wide temperature range (273–700 K). The low activation energy barrier also facilitates CO oxidation at lower temperatures, addressing critical challenges in automotive and industrial pollution control. This study provides valuable theoretical insights for designing advanced single-atom catalysts for environmental remediation applications. Full article