Search Results (12,874)

This study investigates the leaching behavior of the LiNi_0.65Co_0.25Mn_0.10O₂ cathode material in a phosphoric acid medium, with metallic copper recycled from spent battery components serving as a reducing agent. The aim was to develop an efficient approach for the recovery of Li, Ni, Co, and Mn while providing a mechanistic understanding. Leaching experiments were performed by varying key parameters, including copper addition, acid concentration (0.2–0.8 mol·L⁻¹), cathode mass (0.2–1.0 g), stirring rate (0–600 rpm), and temperature (35–80 °C). Thermodynamic analysis, supported by Pourbaix and species distribution diagrams, was used to interpret metal behavior. The results show that lithium is readily dissolved, whereas the extraction of Ni, Co, and Mn depends on the presence of copper, which enables their reduction and dissolution. Optimal conditions (0.4 mol·L^‒1 H₃PO₄, 0.2 g Cu, 600 rpm, 80 °C) enabled rapid extraction, exceeding 90% within 30 min, while near-complete extraction (~100%, 99%, 99%, and 97% for Li, Ni, Co, and Mn) was achieved after 60 min. Structural analysis revealed a transformation from the layered structure to spinel-like intermediates, followed by their dissolution and formation of copper phosphate phases. The proposed system represents an efficient approach for the sustainable recycling of NMC cathodes. Full article

A heteroatom-rich pyridine-based adsorbent (Pyridine PC) was synthesized through a multicomponent strategy and structurally confirmed by ¹H/¹³C NMR spectroscopy and mass spectrometry. To further enhance adsorption activity and surface reactivity, waste-derived CuO nanoparticles were immobilized onto the porous heterocyclic framework, generating a sustainable CuO@Pyridine PC hybrid nanocomposite. Batch adsorption experiments demonstrate highly efficient removal of malachite green (MG) dye and Cd(II) ions from aqueous solutions. Kinetic analysis reveals that adsorption follows the pseudo-second-order model, while equilibrium data are best described by the Freundlich isotherm, indicating adsorption on heterogeneous surfaces. Thermodynamic parameters confirm that the adsorption processes are spontaneous and exothermic. Surface and structural characterization using SEM/EDX, elemental mapping analysis and FT-IR before and after adsorption verifies strong pollutant binding and highlights the role of nitrogen- and oxygen-containing functional groups as dominant interaction sites. BET measurements show that CuO incorporation increases surface area and pore volume, while zeta potential analysis indicates excellent colloidal stability of the composite in aqueous media. Consequently, the CuO-modified sorbent exhibits enhanced adsorption capacities, increasing from 169.8 to 176.13 mg g⁻¹ for MG and from 276.5 to 368 mg g⁻¹ for Cd(II). The adsorbent demonstrated effective pollutant removal from real wastewater. The adsorption mechanism involves synergistic interactions between functional groups in the Pyridine PC matrix and CuO nanoparticles, providing enhanced active binding sites. Full article

We investigate the arrow of time problem in the context of gravitational collapse of radiating stars in higher dimensions for both neutral and charged matter. The interior spacetime is described by a shear-free, isotropic spherically symmetric metric filled with a dissipative fluid. The exterior spacetime of the radiating star is taken as the higher dimensional Vaidya metric. We establish that the arrow of time, measured by the epoch function, is opposite to the thermodynamic arrow of time for all dimensions in such spacetimes. The physical consequences of our results are considered. Our results conform with previous studies on shear-free spherical collapse, which suggests avoidance of the naked singularity as the end state results in a wrong arrow of time, indicating a fundamental problem with the local application of the epoch functions to test the Weyl curvature hypothesis, which we have demonstrated in the context of shear-free, pressure-isotropic subclass of radiating spherical collapse for dimension four and beyond. Full article

A sustainable strategy was developed to valorize rabbit manure waste by synthesizing a porous quaternary Ni-Co-Zn-Fe layered double hydroxide/biochar nanocomposite (QL-RMB) for the efficient removal of Mn(VII) in the form of permanganate (MnO₄⁻) from aqueous solutions. The QL-RMB adsorbent exhibited a well-developed mesoporous structure with uniformly dispersed nanoparticles, achieving 73% MnO₄⁻ removal within 60 min under optimized conditions (pH 3.0; dosage 0.5 g L⁻¹). Adsorption followed pseudo-second-order kinetics and was best described by the Freundlich isotherm model (R² > 0.98), yielding a maximum Langmuir adsorption capacity (q_max) of 45.13 mg g⁻¹. Statistical physics modeling confirmed a multi-ionic, vertically oriented adsorption configuration, while thermodynamic analysis demonstrated that the process was spontaneous and exothermic, governed by electrostatic attraction, anion exchange, and surface complexation. The QL-RMB composite exhibited excellent MnO₄⁻ selectivity in the presence of competing ions (selectivity coefficients: 24.96 for Fe³⁺, 31.59 for Ni²⁺, 23.56 for Zn²⁺) and retained significant removal efficiency (73.96%) after five regeneration cycles. In a circular economy approach, the Mn (VII)-spent adsorbent (QL-RMB/Mn) was valorized as an electrocatalyst for urea electro-oxidation, achieving a current density of ~127.19 mA cm⁻² for pristine QL-RMB, which increased to ~217.07 mA cm⁻² after Mn(VII) adsorption (QL-RMB/Mn) in 1 M KOH/1 M urea. Batch scale-up studies revealed an efficiency of 42.55 g or 95% MnO₄⁻ removal from 50 L water, with a low estimated production cost of 0.0602 USD g⁻¹. Environmental sustainability was confirmed by the National Environmental Methods Index (NEMI), modified Green Analytical Procedure Index (Mo-GAPI), Eco-scale (score: 77), and Analytical GREEness (AGREE) assessment frameworks. Full article

Animal functional trait data are essential for macroecology, but massive datasets remain locked in unstructured scientific literature. Traditional manual extraction is inefficient, and general-purpose artificial intelligence (AI) systems struggle with complex biological tables and numerical accuracy. To address this bioinformatics challenge, we propose a multimodal neuro-symbolic framework combining visual-language perception and code-based reasoning. This approach reconstructs complex document layouts and delegates biostatistical calculations, such as unit normalization and thermodynamic energy conversion, to an isolated programming environment to ensure mathematical and statistical consistency. By mining literature spanning 117 years, we constructed a high-fidelity physiological database for 1632 chordate species. Our method achieved a macro-averaged F1 score of 0.935 in extracting biophysical fields. External benchmarking against a curated mammalian trait database showed strong concordance for shared body-mass and metabolic-rate traits, while our database retained record-level provenance and physiological context. Furthermore, the extracted data reproduced classic allometric scaling relationships for basal metabolic rate and brain volume while preserving physiological adaptations, supporting the biological plausibility of the dataset. This study validates a reproducible bioinformatics pipeline that minimizes extraction artifacts and substantially reduces downstream mathematical and statistical conversion errors, while providing a scalable, complementary resource for building physiology-oriented trait databases from historical literature. Full article

The thermochemical properties of Norharmane, Harmane, and Harmine were investigated using DSC, combustion calorimetry, thermogravimetry, and G3B3 computational methods. DSC measurements enabled accurate determination of melting temperatures and fusion enthalpies. Complementary IR, NMR, and HPLC analyses performed for Harmine indicate that partial degradation occurs during the melting process, becoming more evident at higher temperatures (above ~330 °C). The standard enthalpies of formation in the solid state were 159.6 kJ·mol⁻¹ (Norharmane), 80.5 kJ·mol⁻¹ (Harmane), and −47.0 kJ·mol⁻¹ (Harmine). Using sublimation enthalpies derived from TGA, the gas-phase formation enthalpies were established as 282.7, 186.0, and 87.4 kJ·mol⁻¹, respectively. Homodesmotic G3B3 calculations showed excellent agreement with experimental data, with absolute deviations below 1.5 kJ·mol⁻¹. The combined results reveal a consistent thermodynamic stability trend in both phases: Harmine > Harmane > Norharmane. Full article

Supercritical CO₂ gas explosion is an important technique for enhancing permeability in low-permeability coal seams, as it can improve gas drainage efficiency while avoiding the open-flame hazards of conventional explosion and the high water consumption associated with hydraulic fracturing. This study aims to reveal the crack propagation patterns and stress-wave dynamics under different hole configurations. Using LS-DYNA, fracture models were established for three configurations under supercritical CO₂ explosions: single-hole, symmetrical double-hole, and symmetrical double-hole with a control hole. The fracture processes were analyzed to investigate the effective fracture radius of single-hole explosions, the optimal spacing for symmetrical double-hole explosions, and the influence of control holes on crack development and connectivity. The simulation results indicate that the effective fracture radius of a single-hole explosion reaches up to 2.6 m under the modeled conditions. Compared with the single-hole gas explosion case, the symmetrical double-hole configuration with a spacing of 7 m significantly enhances fracture interaction and connectivity, resulting in an approximately 98% increase in the effective damaged area. Permeability enhancement was further quantified by introducing a damage–permeability mapping (k/k₀) based on the simulated damage factor, and the permeability-enhanced zone was evaluated using the criterion of k/k₀ ≥ 2. Full article

Red mud, as a by-product of alkaline regeneration of alumina, has limited application due to its strong alkalinity, fine particle size, and complex composition. In this work, red mud porous ceramics with uniform pore size distribution and high mechanical strength were prepared using a foam-gel casting method. The effects of solid loading and sintering temperature on the microstructure of porous ceramics were systematically investigated. The porosity of red mud-based porousceramics sintered at 1150 °C with a solid content of 60.4% was 33.7%, and the maximum compressive strength was 54.70 MPa, while the porousceramics prepared with a solid loading of 34.1% and sintered at 1050 °C achieved a maximum porosity of 79.7% and a compressive strength of 2.36 MPa. Increasing the solid loading reduced porosity and enhanced compressive strength, allowing for the tailoring of mechanical properties to meet specific application requirements. Higher sintering temperature promoted the formation of the liquid phase, enhanced particle bonding, and further improved the compressive strength. Additionally, toxicity leaching tests confirmed that the ceramics are environmentally safe, with leachate levels well within regulated limits. These results demonstrate the potential of foam-gel casting as an effective route for transforming red mud into value-added porous ceramics, thereby contributing to sustainable waste utilization and broadening the application prospects of red mud-based materials. Full article

High-entropy MAX (HE-MAX) phases represent a new class of layered ceramics that combine the multi-principal-element chemistry of high-entropy materials with intrinsic damage tolerance, electrical conductivity, and multifunctionality of conventional MAX phases. Despite their promise, the synthesis of HE-MAX phases remains fundamentally constrained by sluggish multicomponent diffusion, narrow thermodynamic stability windows, and strong competition from thermodynamically favored binary and ternary carbides, borides, and nitrides. These challenges are further exacerbated by the volatility of A-site elements under near-equilibrium processing conditions. This review positions self-propagating high-temperature synthesis (SHS) as an energy-efficient, non-equilibrium processing route capable of stabilizing selected entropy-driven MAX chemistries through ultrafast thermal excursions and rapid quenching. A unified thermodynamic–kinetic framework is developed to elucidate the interplay among reaction enthalpy, configurational entropy, combustion wave sustainability, and phase evolution in HE-MAX systems. Predictions of thermochemical adiabatic temperature are systematically correlated with experimental SHS studies to delineate phase stability boundaries, stoichiometric sensitivity, and the roles of diluents and transient liquid formation. Finally, practical design principles for scalable SHS synthesis of HE-MAX phases are outlined, alongside strategies for their selective exfoliation into high-entropy MXenes and a critical assessment of their emerging functional applications. Full article

Multi-omics technologies enable parallel quantification of proteomic and metabolomic layers, yet enzyme abundance often shows weak or nonlinear correspondence under diverse biological conditions. This apparent discordance has been attributed to both technical limitations—such as dynamic range compression in LC-MS/MS, metabolite derivatization artifacts, and missing values in proteomic measurements—as well as intrinsic biological properties of metabolic network architecture. While technical factors contribute to cross-omic mismatch, accumulating evidence suggests that constraint-driven network behavior plays a major role in shaping this decoupling. Enzyme abundance constrains catalytic capacity; however, realized flux is selected within this capacity under distributed flux control, as formalized by flux control coefficients in metabolic control analysis, and is further modulated by enzyme kinetics (e.g., km and Vmax), post-translational modifications, substrate availability, and thermodynamic constraints. Metabolite pools, in turn, reflect the physicochemical state of the system, while specific metabolites can also act as regulatory effectors that modulate enzymatic activity and cellular signaling. Because metabolic networks are underdetermined, multiple flux configurations can satisfy identical protein abundance and metabolite concentration data. Static cross-layer correlation is therefore insufficient for mechanistic inference. We synthesize biological mechanisms—including post-translational regulation, allostery, thermodynamic buffering, spatial compartmentalization, feedback amplification, and redox gating—that weaken linear abundance–metabolite expectations. We further outline a constraint-based interpretation framework in which proteomics imposes capacity bounds, metabolomics informs reaction directionality and metabolite pool constraints, and flux-informed approaches reduce solution degeneracy by providing additional information on pathway activity. Moving beyond correlation requires integrating perturbation, temporal resolution, and constraint-aware modeling. Proteome–metabolome discordance should therefore be interpreted not as inconsistency, but as indicative of constraint-driven state selection within high-dimensional biochemical systems. Full article

Serpentinites and associated chromitites of the Neoproterozoic Bou Azzer ophiolite (Central Anti-Atlas, Morocco) provide key constraints on mantle depletion, melt–rock interaction, and the tectono-metamorphic evolution of a supra-subduction zone (SSZ) system. This study integrates field observations, petrography, Raman spectroscopy, and whole-rock/mineral chemistry to decipher the history of this highly dismembered ultramafic suite. The mantle sequence is dominated by antigorite-bearing serpentinites derived primarily from refractory harzburgitic and dunitic protoliths. Whole-rock geochemistry and highly depleted chromite compositions (Cr# = 0.50–0.68; Mg# = 0.43–0.77; TiO₂ ≤ 0.18 wt.%) demonstrate that these peridotites represent refractory residues formed after high degrees of partial melting (~15–25%). The data delineate a clear evolutionary trend from abyssal to fore-arc and back-arc environments, where infiltrating boninitic melts drove localized podiform chromitite formation through intense melt–rock interaction. Crucially, thermodynamic and mineral–chemical constraints challenge previous models of simple greenschist-facies obduction. Equilibration temperatures exceeding 600 °C and chromite stability within the lower amphibolite to near-granulite facies indicate that the oceanic lithosphere underwent deep subduction prior to its exhumation. This high-temperature, high-pressure metamorphism was followed by multistage retrogressive serpentinization and intense CO₂-rich metasomatism (talc-magnesite alteration) during Pan-African transpressional tectonics. Ultimately, the Bou Azzer ophiolite represents a mature SSZ mantle wedge, recording a complete geodynamic cycle from deep subduction-zone metamorphism to final tectonic emplacement along the northern margin of the West African Craton. Full article

As a finite strategic resource, helium is extracted from natural gas (NG). The concentration of helium in NG is very low, which makes helium hard to separate. The hydrate-based gas separation (HBGS) was proposed as a promising method for the separation of the NG with low helium content in this work. This work systematically investigated the HBGS of helium from simulated NG. The thermodynamic analysis reveals that the existence of 5.00 mol% tetrahydrofuran (THF) in the liquid phase decreased the gas–liquid–hydrate equilibrium pressure by 92.11%, compared to the deionized water system. The single-stage HBGS experimental results show that high THF concentration, low temperature, and high pressure benefited the gas processing capacity and helium purification, but they led to a low helium recovery rate. The best HBGS performance was limited by the “hydrate shell effect”. The decrease in gas–liquid ratio led to an increase in helium concentration without losing the gas processing capacity, but it caused a decrease in the helium recovery rate. Through three-stage HBGS optimization, the helium concentration was increased from 0.54 mol% to 13.54 mol% (a 25.07-fold enrichment), and a total helium recovery of 87.34% was achieved. The mathematical model proposed in this work accurately predicts the performance of HGBS with 2.09% average relative error compared to the experimental data. Full article

Deep eutectic solvents (DESs) have emerged as powerful media for enhancing the solubility of poorly water-soluble active pharmaceutical ingredients (APIs). However, their rational design remains challenging due to the complex interplay of intermolecular interactions and non-ideal thermodynamic behavior. This study develops a comprehensive, data-driven taxonomy of solute–solvent systems by integrating COSMO-RS-derived descriptors with principal component analysis (PCA) and unsupervised clustering. This approach establishes a constrained, evidence-based decision framework, which is more appropriate for complex physicochemical systems like DESs than traditional empirical rules. The analysis successfully reduces the multidimensional descriptor space to five physically interpretable axes: solvation driving force, API thermodynamic stability, solvent interaction profile, hydrogen-bond network strength, and hydration effects. Two primary solubilization mechanisms are identified: interaction-driven solvation, characterized by high API–DES affinity, and destabilization-driven solvation. Furthermore, comparison of dry and water-containing systems reveals that water acts as a thermodynamic structuring agent, fundamentally reducing system dimensionality and promoting the emergence of more distinct solvation regimes. Validated through the projection of benzocaine and lidocaine, this framework enables a transition from trial-and-error screening to mechanism-guided formulation design, providing a robust roadmap for navigating the complex solubility landscape of pharmaceutical DESs. Full article

The recovery of tin from high-barium copper anode slime by Kaldor furnace smelting remains challenging because barium sulfate hinders the conversion of tin (Sn) from SnO₂ into acid-soluble phases. In this study, the smelting behavior of high-barium copper anode slime in a Kaldor furnace was simulated under optimal smelting conditions: SnO₂ was effectively converted into BaSnO₃, while SiO₂ was transformed into Na₂Ba₆Si₄O₁₅, achieving a high Sn conversion efficiency of 92.18%. Phase and microstructure analyses indicated that the preferential reaction of SiO₂ with Na₂CO₃ and BaSO₄ governs the early-stage phase reconstruction, whereas the subsequent reaction between SnO₂ and BaCO₃ promotes the formation of BaSnO₃. Kinetic analysis showed that the Sn conversion process was well described by the Avrami–Erofeev model, with an apparent activation energy of 43.75 kJ/mol and an Avrami index of 1.13, suggesting mixed control by diffusion and chemical reaction. Thermodynamic analysis further confirmed that stannates and silicates are the dominant equilibrium phases under the optimized conditions. This work provides a promising route for the efficient recovery of tin from high-barium, tin-bearing smelting slag. Full article

Foliar preparations are used in potato cultivation, and their use can affect starch properties, which are important for food production. Therefore, the aim of this study was to evaluate the effect of foliar application of preparations (biostimulants, fertilizers) during the growing season of potatoes (Solanum tuberosum L.), cultivar Concordia, on selected physicochemical, thermal, and rheological properties of starch. Eight commercial preparations (Basfoliar 12-4-6+S + ADOB PK (ADOB), Asahi SL, BlueN^®, Megafol^®, Quantis™, Qultivo, Rizoderma TSI, and Rizofos) were foliarly applied during the growing season. Potato starch was isolated using a laboratory method. Starch from potatoes grown without foliarly preparations served as a control sample. The research methodology included determination of amylose content and mean starch granule diameter. Thermodynamic characterization of gelatinization and retrogradation was performed using a DSC (differential scanning calorimeter), viscometric pasting characterization was performed with a Rapid Visco Analyzer (RVA), and flow curves were determined. A statistically significant effect of the type of foliar biostimulant/fertilizer applied on amylose content, starch grain size distribution, and rheological properties of the tested starches was observed. Amylose content ranged from 31.7% (BlueN) to 36.3% (ADOB). Starch from potatoes grown with ADOB had the largest grains, with the largest number of grains having a diameter >40 µm. The tested starches generally did not differ in terms of the onset, peak, and end temperatures of gelatinization determined using DSC. Similarly, slight differences were observed in the pasting temperature determined viscometrically. The RVA analysis showed that the highest maximum viscosity value was observed for starch obtained from the raw material stimulated with the Megafol preparation (3744 mPa·s), and the paste based on starch isolated from potatoes grown with the Asahi biostimulant was characterized by the highest rheological stability at 95 °C. The starch pastes obtained from the raw material stimulated with the Megafol and Quantis preparations were characterized by the lowest values of the consistency coefficient (15.7 Pa·sⁿ), and the control starch had the highest value of this parameter (21.7 Pa·sⁿ). Full article