Search Results (331)

As a strategically important metal, vanadium (V) plays a crucial role in resource security, and its efficient extraction is therefore of great significance. Traditional sodium roasting processes suffer from gaseous pollutant emissions and high costs, while calcification roasting–acid leaching has emerged as an alternative due to its environmental friendliness and economic viability. This study focuses on VTS (mainly composed of FeV₂O₄ and Fe₂SiO₄), systematically optimizing the calcification roasting–hydrochloric acid leaching process and investigating its reaction mechanism. By comparing the Gibbs free energy changes of reaction products and the acid leaching process with different additives using DFT calculations, calcium oxide was selected as the optimal calcifying agent. Experimental results show that CaO significantly promotes the transformation of FeV₂O₄ into soluble calcium vanadate and preferentially reacts with SiO₂ to inhibit vanadate encapsulation, creating a structural basis for the selective dissolution of V. Under optimal process conditions, the leaching efficiency of V can reach 94.23%. Furthermore, density functional theory (DFT) calculations substantiate that the inherently weak bonding in Ca₂V₂O₇ facilitates its effortless dissociation during the acid leaching phase. The Douglas hierarchical decision-making method is further adopted for secondary economic potential, and this proposed method has the lowest investment risk. This study provides an experimental and theoretical basis for the efficient and clean extraction of vanadium. Full article

Cement-based grouts used in anchorage engineering often suffer from insufficient flowability, bleeding, and inadequate early-age strength, which may impair grout filling quality and interfacial bonding. This study investigated the synergistic use of fly ash (FA) and metakaolin (MK) to optimize the fresh properties, strength development, microstructure, and early-age anchorage performance of cement-based grouts. Rheological behavior, bleeding rate, and compressive strength were evaluated for grouts with different FA and MK contents, and the overall performance was ranked using the entropy-weighted TOPSIS method. X-ray diffraction and scanning electron microscopy were further employed to clarify the underlying microstructural evolution, and laboratory pull-out tests were conducted to verify the early-age anchorage effectiveness of the selected optimal mixtures. The results showed that the optimal performance was achieved at 15–20% FA and 3–6% MK. Within this range, grout viscosity decreased from 0.24 to 0.16 Pa·s, bleeding rate decreased from 13% to 2%, and compressive strength increased markedly at both 7 and 28 days. The optimized grout also increased the peak interfacial shear stress from 0.440 to 0.978 MPa. These improvements were associated with accelerated hydration, reduced CH and residual clinker phases, and a denser hydration-product network. The pull-out specimens failed predominantly along the grout–rock/soil interface, and the improved anchorage response was attributed to a denser hydration-product network that reduced pores and interfacial defects and promoted more efficient shear-stress transfer. Full article

In the present paper, In₂O₃ NPs were synthesized by a wet-chemical method, in the absence and presence of the surfactant, and deposited as thin films on silicon substrates. After deposition, the films were subjected to rapid thermal annealing (RTA) at 550 °C, 750 °C, and 900 °C, for 300 s, under an inert atmosphere. The correlation between the morphological, structural, and optical characteristics, the wetting capacity of In₂O₃ films synthesized under different synthesis conditions, and the influence of the RTA treatment are presented. The vibrations of In-O bonds for In₂O₃ samples were confirmed using FTIR spectroscopy. Structural analysis shows that In₂O₃ NPs have a cubic crystalline structure, but with the increase in temperature at 900 °C, diffraction peaks characteristic of the tetragonal phase of indium appear, correlated with a decrease in lattice parameters, as a result of the crystallinity. The morphology of the In₂O₃ samples was studied by SEM, revealing predominantly spherical and uniformly distributed particles with nanometric sizes. The absorption spectra of the In₂O₃ NPs showed peaks in the ultraviolet region, and the high energy bandgap value of the In₂O₃ films varied between 3.28 and 4.33 eV, depending on the samples and RTA treatment. The contact angle measurements of In₂O₃ films determined the wetting capacity of the surface, reflecting changes in surface morphology and structure induced by the RTA process. The results suggest that In₂O₃ thin films with spherical nanoparticles, good wettability, and percolation can be used for the development of sensors with increased selectivity and sensitivity. Full article

The development of new advanced functional materials from low-molecular-weight gelators and their new potential applications have occupied a considerable place in research. The present study involves the design of dipeptide-based organogelators with enhanced hydrogen bonding network potentials and phase-selective capacities, possessing a minimum gelation concentration of 0.2–0.4% w/v in different fluids. Seven new dipeptide organogelators were prepared based on a one-step reaction from two-component salt forms, the combination of Nε-alkanoyl-L-lysine ethyl ester with N-alkanoyl-L-amino acids (L-alanine, L-leucine, and L-phenylalanine), with high yields of up to 90. All the gel materials were extremely stable at room temperature, having a shelf life of several months, and formed gels in pharmaceutical fluids such as ethyl palmitate, ethyl myristate, and ethyl laurate, 1,2-propanediol, and liquid paraffin (oils widely used in pharmaceutical formulations), which meet the criteria of biological materials delivery. Their gelation properties were evaluated by rheological measurements. A very significant breakthrough in the current study is that organogels remove the toxic dye, crystal violet (CV), from water in a phase-selective manner with an extremely low gelator concentration. The dye and gelators are successively recovered via ethanol precipitation after the completion of the phase extraction process. Molecular dynamic calculations provide evidence for the 3D structures of the gels. Full article

Achieving selective cleavage of specific chemical bonds using ultrafast laser pulses remains a central challenge in ultrafast strong-field molecular physics. Here, we theoretically investigate the coherent control of strong-field dissociation of the heteronuclear molecular ion HD⁺ initially prepared in vibrationally excited states driven by an ultrashort pulse with a quadratic spectral phase. Our results reveal a pronounced sensitivity of both the total dissociation probability and the branching ratio (H⁺ + D vs. H + D⁺) to the chirp rate of the laser pulse. To uncover the underlying physical mechanism, we analyze the population dynamics in the coupled $1s\sigma$ and $2p\sigma$ electronic states and identify pronounced Rabi oscillations arising from the coherent interplay between multiphoton excitation and field-induced stimulated emission. By tuning the laser chirp rate, these oscillations can be suppressed via quantum interference, thereby reshaping the dissociation dynamics and significantly enhancing the dissociation probability of the H + D⁺ channel. These findings demonstrate that spectral-phase engineering provides a robust and versatile strategy for selective control of branching ratios in strong-field molecular dissociation. Full article

Electrocatalytic H₂O₂ production via the two-electron oxygen reduction reaction (ORR) is a highly sustainable alternative to industrial methods. To further optimize non-noble catalysts, we report an interfacial engineering strategy to stabilize the metastable P6₃/mmc-La₂O₃ phase on SrTiO₃. This symmetry evolution from the low-symmetry $\mathrm{P}\stackrel{\mathrm{-}}{3}\mathrm{m}1$ (trigonal) to the high-symmetry P6₃/mmc (hexagonal) space group yields a composite with >95% H₂O₂ selectivity. Mechanistic studies demonstrate that the symmetry-regulated interface optimizes *OOH conversion and suppresses O–O bond cleavage. This work offers a robust design principle for high-performance, noble-metal-free H₂O₂ electrosynthesis. Full article

This study investigated the development of a perlite waste-based geopolymer for stabilizing iron ore tailings byproduct (IOTB) for geotechnical applications. Mixtures containing 70/30 and 80/20 proportions of byproduct and geopolymer were produced using perlite waste as the precursor and NaOH as the alkaline activator through the one-part method. Raw and geopolymer-stabilized IOTB, air-cured for 7, 14, and 28 days, were evaluated by ICP-OES, XRF, pH, geotechnical characterization, compaction, permeability, SEM, and consolidated drained triaxial tests under confining stresses ranging from 250 to 2000 kPa. The selected mixture presented a maximum dry density of 1.8 g/cm³ and optimum moisture content of approximately 14%. XRD results indicated sodium aluminosilicate phases associated with geopolymerization, with mechanical characteristics comparable to feldspar-type structures, while the pH increased from 6.5 to 12.5. Triaxial tests indicated that elastoplastic behavior persisted regardless of the geopolymer addition; however, SEM images confirmed matrix–particle bonding at grain contacts without significant pore filling. The cohesive intercept increased from 0 kPa in the IOTB to 89.1 kPa and 179.2 kPa after 14 and 28 days of curing, respectively, while the friction angle showed a slight increase of up to 7.7%. Deviatoric stress at failure and energy absorption capacity also increased with curing time. Hydraulically, the permeability coefficient remained within the same order of magnitude (10⁻⁴ cm/s), varying from raw IOTB of 2.73 × 10⁻⁴ cm/s to 3.28 × 10⁻⁴ cm/s after 28 days. These results demonstrated that geopolymer stabilization enhanced mechanical performance without compromising drainage capacity, representing a technically viable and socio-environmentally sustainable solution. Full article

This work presents a method to encapsulate plant extracts within a binary polysaccharide carrier and to characterize the physicochemical and rheological performance of the resulting biocomposites in the context of food use. Using a starch/psyllium matrix, extracts from Sambucus nigra (SN), Aronia melanocarpa (AM), and Echinacea purpurea (EP) were effectively protected and incorporated through a stepwise workflow encompassing matrix preparation, encapsulation, structural verification, and functional assessment. SEM revealed a porous network containing uniformly distributed, extract-loaded spherical structures (~800–1500 nm), while FTIR supported the presence of hydrogen bonding and hydrophobic interactions that contributed to system stability. The prepared nanoemulsions showed shear-thinning (pseudoplastic) behavior, indicating favorable processing characteristics, whereas most physicochemical and bioactivity measurements were performed on lyophilized composites. The dried materials preserved extract-specific color signatures (ΔE > 5) and exhibited distinct thermal responses: AM produced a pronounced plasticizing effect (Tg reduced by >20 °C), while the incorporation of extracts generally delayed thermal degradation, consistent with polyphenol–starch interactions. Phase-transition behavior was also altered, with melting peaks suppressed for SN and AM and melting temperatures lowered for EP. Surface analysis indicated increased hydrophobicity and a reduced polar component of surface free energy, suggesting improved moisture barrier potential. Antioxidant capacity closely tracked total phenolic content (r > 0.94), with caffeic acid contributing strongly, particularly in EP-based systems. Antimicrobial activity depended on extract type (broad-spectrum for EP, selective for SN, minimal for AM), and the comparatively higher sensitivity of Gram-negative bacteria points to improved phenolic availability and membrane interactions upon encapsulation. Collectively, these results highlight the starch/psyllium matrix as a flexible platform for stabilizing plant extracts while enabling tunable functional attributes for functional food applications. Full article

The selective transformation of biomass-derived feedstocks into value-added chemicals via targeted C-O bond cleavage remains challenging due to the presence of multiple reducible bonds and typically low catalytic selectivity. Herein, we report a robust non-noble metal CoCe catalyst for the selective ring-opening hydrogenolysis of 2-furoic acid (2-FA), an industrialized biomass-derived platform molecule, to 5-hydroxypentanoic acid (5-HVA) and its derivatives, which have potential applications as fuel additives. The optimized 90CoCe catalyst with inverse phase demonstrates superior catalytic performance, achieving a total yield of more than 85% for 5-HVA and its derivatives under mild reaction conditions (130 °C, 2 MPa H₂). Extensive characterizations reveal that the inverse-phase 90CoCe catalyst possesses abundant oxygen vacancies at the Co-CeO_x interface, with the formation of Co-Ov-Ce interfacial species. The interfacial Co-Ov-Ce sites serve as specific adsorption centers for the 2-FA molecule, orienting it into a titled adsorption configuration that is highly favorable for the C₂-O₁ bond cleavage in the furan ring. Meanwhile, adjacent Co⁰ sites efficiently dissociate hydrogen into active hydrogen species for the hydrogenolysis of the C₂-O₁ bond to form ring-opening products. The synergistic balance between the hydrogenation Co⁰ sites and the interfacial Co-Ov-Ce adsorption sites is crucial to the high catalytic activity and selectivity of the CoCe catalyst. Moreover, the 90CoCe catalyst maintains stable catalytic performance during a 40 h continuous test in a fixed-bed reactor, demonstrating its great potential for industrial applications. Full article

Welding copper (Cu) and aluminum (Al) is highly demanded for lightweight and cost-effective manufacturing. However, it faces significant challenges. First, substantial differences in physical properties may lead to high residual stresses and distortion. Second, brittle intermetallic compounds (IMCs) readily form at the interface, severely compromising the joint’s mechanical properties and electrical conductivity. Third, the native oxide film on Al impedes effective wetting and bonding. Therefore, effective control over the interfacial microstructure of the welded joint is essential. This review provides a critical analysis and comparison of several typical welding techniques, including laser welding (LW), friction stir welding (FSW), ultrasonic welding (UW), brazing and soldering, and welding–brazing. These analyses focus on their process characteristics, joint microstructures, and corresponding formation mechanisms. Furthermore, this review synthesizes key strategies for enhancing joint quality, including process parameter optimization, introduction of functional interlayers, and external assistance, aimed at optimizing joint microstructure and minimizing defects. Based on the analysis, this work provides comparative insights into process selection and microstructure control, and highlights future directions: advancing novel methods such as magnetic pulse welding and transient liquid phase bonding; developing intelligent real-time process control to suppress brittle IMCs and associated defects; promoting sustainable practices and establishing standardized performance evaluation; and systematically investigating long-term reliability to support the industrial application of robust Cu/Al joints. Full article

The rising environmental burden of Portland cement production has intensified the demand for eco-friendly binders that support sustainable construction. This study investigates the development and performance of eco-friendly self-compacting geopolymer concrete (SCGC) produced from industrial by-products, including fly ash (FA), ground granulated blast furnace slag (GGBFS), silica fume (SF), metakaolin (MK), and glass waste powder (GWP). Twenty-one binder formulations were evaluated for fresh-state workability, mechanical performance, durability, and microstructural characteristics under different curing regimes. Fresh properties were assessed using slump flow, V-funnel, L-box, and J-ring tests, while hardened-state evaluations included compressive and flexural strength, Young’s modulus, and water absorption. Scanning electron microscopy (SEM) and X-ray diffraction (XRD) analysis were performed on selected mixes to examine microstructural features and crystalline phase development. Results highlight a strong dependency of SCGC performance on binder composition and curing conditions. Mixes rich in GGBFS and SF demonstrated superior mechanical and durability performance, achieving compressive strengths of up to 102.4 MPa under water curing and 107.6 MPa under heat curing, along with negligible water absorption, reflecting a dense and well-developed gel matrix. SEM micrographs confirmed homogeneous, compact microstructures in high-performing mixes, while XRD analysis revealed broad amorphous humps indicative of well-formed N-A-S-H and C-A-S-H gel phases with minimal crystalline residues. In contrast, FA-dominant mixes displayed delayed strength development, and MK-GWP-rich systems exhibited higher porosity and reduced strength. This study underscores the significance of precursor synergy, optimized curing strategies, and microstructural refinement in tailoring SCGC for high-performance, durable, and low-carbon applications in sustainable construction with values ranged from 38.64 GPa (Mix 21) to 25.04 GPa (Mix 19) at 28 days. Stiffer mixes corresponded to denser matrices containing GGBFS and silica fume, whereas lower values were linked to weaker bonding and higher porosity. Full article

Current international standards (EN 12004; SI 4004) are testing ceramic tile adhesives under post-cure thermal aging. However, the standards omit UV radiation exposure during the fresh-adhesive phase. This research investigated three commercial polymer-modified cement adhesives (C2TE, C2TE-S2, C2T) bonding porcelain stoneware tiles under simulated Eastern Mediterranean and desert conditions. Three commercial adhesives were exposed during the initial (uncured) period to elevated temperature (30 °C), humidity variation (40–65% RH), and UV radiation (295–365 nm, 1.5–2.0 mW/cm²) for 20 min, followed by 28 days of curing. Pull-off testing and scanning electron microscopy, combined with quantitative directionality analysis, were used to characterize the mechanical performance and microstructural degradation. UV exposure of adhesives during tiling working time caused a drop of mean bond strength from 1.77 to 0.26 MPa (85% reduction) compared with 1.77 to 0.64 MPa (36% reduction) under hot-arid conditions. Microstructural analysis of the hardened pull-off adhesives revealed that exposure of the fresh adhesive to UV radiation causes thinning and degradation of the interfacial layer (15–40 µm), leading to a drop in macroscopic strength. In contrast, hot-arid exposure induces adhesive bulk cracking while preserving interface integrity. Fracture surface directionality (goodness parameter), crack density, and delamination percentage together distinguish interface failure from adhesive bulk degradation and provide a forecast of long-term durability. This combined SEM-mechanical approach identified critical gaps in testing protocols and enables evidence-based adhesive selection, as current EN 12004 classifications based solely on mechanical properties prove insufficient. Full article

Umami taste in lager beer not only determined body fullness and the backbone of aftertaste, but also affected the controllability and interpretability of flavor expression across the entire brewing process. Based on stage-wise sampling, peptidomic profiles were established on wort fermentation day 0, day 1, day 3, and day 9. A total of 25,592 peptides were identified by reversed-phase liquid chromatography–quadrupole time-of-flight mass spectrometry (RPLC-QTOF-MS). Molecular informatics screening was performed using UMPred-FRL (a feature representation learning-based meta-predictor for umami peptides) and TastePeptides-Meta (a one-stop platform for taste peptides and prediction models), yielding 7255 potential umami peptides. From these, 145 peptides were further selected for molecular docking. In addition, 6 representative umami peptides were selected for receptor-level validation and structural analysis. Mechanistically, the umami receptor taste receptor type 1 member 1/taste receptor type 1 member 3 (T1R1/T1R3) belonged to class C G protein-coupled receptor (GPCR) and relied on the extracellular Venus flytrap (VFT) domain for ligand capture. Ligand-induced VFT conformational convergence transmitted changes to the transmembrane region and triggered signal transduction. Docking and energy decomposition indicated that the ionic group primarily contributed to orientation and anchoring. Salt-bridge or hydrogen-bond networks were formed around Lys228, Arg240, Glu206, Asp210, Asn141, and Gln138, thereby reducing conformational freedom. Meanwhile, hydrophobic side chains obtained major binding gains within a hydrophobic microenvironment formed by Val135, Ile137, Leu165, Tyr166, Trp78, and His79. These results reflected a synergistic mode in which charge pairing enabled positioning and hydro-phobic complementarity promoted VFT closure. To experimentally confirm sensory relevance, 6 representative peptides were individually spiked into 4 brewing-stage beer samples, which produced a clear stratification pattern across stages. Notably, peptides with favorable docking-derived binding propensity did not necessarily enhance umami perception, and several longer peptides showed persistent negative sensory shifts, supporting that binding affinity alone could not be treated as a proxy for perceived umami in the beer matrix. At the node level, the cumulative abundance of umami peptides showed a significant positive correlation with umami scores, with a Pearson correlation coefficient of r = 0.963 and p = 0.037. This result indicated good linear consistency between umami peptide content and the upward shift in umami taste in lager beer. Umami peptide clusters were further proposed as a more appropriate functional unit, and an umami peptide cluster database spanning the full process was constructed. This database provided a reusable resource for process control and flavor prediction. Full article

This paper presents a comprehensive characterization of bottom ash generated during biomass combustion in fluidized boilers, with a focus on its potential use in a circular economy. Two biomass bottom ash samples (BBA 1 and BBA 2) from commercial combined heat and power plants were tested. The scope of this study included the determination of chemical composition, phase composition, and leachability testing of selected impurities. The results showed that the bottom ashes tested are calcium silicate materials with varying proportions of calcium phases (anhydrite, portlandite, and calcite) and silica phases (quartz), depending on the type of biomass and combustion technology. Thermal analysis confirmed the presence of characteristic dehydration, decarbonation, and polymorphic transformations of quartz, with a low organic content. Leachability tests showed low mobility of most trace elements and heavy metals, with increased solubility of sulfates, chlorides, and alkali ions, typical for fluidized ash. The concentrations of As, Cd, Cr, Cu, Pb, Zn, and Hg in the eluates were low or below the limit of quantification, indicating the favorable chemical stability of the tested waste. The results obtained suggest that bottom ashes from biomass combustion in fluidized boilers may be a promising secondary raw material for engineering applications, especially in binding materials and bonded layers, and potentially also in selected agricultural applications, provided that the contents of sulfates, chlorides, and pH are controlled. Full article

Background: β-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors demonstrated amyloid-lowering efficacy but failed in phase II/III clinical trials due to adverse effects and limited disease-modifying outcomes. This study employed an integrated network pharmacology and molecular docking approach to quantitatively elucidate the multitarget mechanisms of 4 (phase II/III) discontinued BACE1 inhibitors (Verubecestat, Lanabecestat, Elenbecestat, and Umibecestat) and the preclinical compound AM-6494 in Alzheimer’s disease (AD). Methods: Drug-associated targets were intersected with AD-related genes to construct a protein–protein interaction (PPI) network, followed by topological analysis to identify hub proteins. Gene Ontology (GO) and KEGG pathway enrichment analyses were performed using statistically significant thresholds (p < 0.05, FDR-adjusted). Molecular docking was conducted using AutoDock Vina to quantify binding affinities and interaction modes between the selected compounds and the identified hub proteins. Results: Network analysis identified 10 hub proteins (CASP3, STAT3, BCL2, AKT1, MTOR, BCL2L1, HSP90AA1, HSP90AB1, TNF, and MDM2). GO enrichment highlighted key biological processes, including the negative regulation of autophagy, regulation of apoptotic signalling, protein folding, and inflammatory responses. KEGG pathway analysis revealed significant enrichment in the PI3K–AKT–MTOR signalling, apoptosis, and TNF signalling pathways. Molecular docking demonstrated strong multitarget binding, with binding affinities ranging from approximately −6.6 to −11.4 kcal/mol across the hub proteins. Umibecestat exhibited the strongest binding toward AKT1 (−11.4 kcal/mol), HSP90AB1 (−9.5 kcal/mol), STAT3 (−8.9 kcal/mol), HSP90AA1 (−8.5 kcal/mol), and MTOR (−8.3 kcal/mol), while Lanabecestat showed high affinity for AKT1 (−10.6 kcal/mol), HSP90AA1 (−9.9 kcal/mol), BCL2L1 (−9.2 kcal/mol), and CASP3 (−8.5 kcal/mol), respectively. These interactions were stabilized by conserved hydrogen bonding, hydrophobic contacts, and π–alkyl interactions within key regulatory domains of the target proteins, supporting their multitarget engagement beyond BACE1 inhibition. Conclusions: This study demonstrates that clinically failed BACE1 inhibitors engage multiple non-structural regulatory proteins that are central to AD pathogenesis, particularly those governing autophagy, apoptosis, proteostasis, and neuroinflammation. The identified ligand–hub protein complexes provide a mechanistic rationale for repurposing and optimization strategies targeting network-level dysregulation in Alzheimer’s disease, warranting further in silico refinement and experimental validation. Full article