Search Results (353)

This study aims to investigate the performance and mechanism of N′-[(E)-phenylmethylidene] furan-2-carbohydrazide (FNH), a hydrazone Schiff base, as a corrosion inhibitor for carbon steel in 1.0 M HCl. The research was conducted by coupling electrochemical testing (Tafel analysis and Impedance spectroscopy) with surface characterization (SEM and AFM) and advanced computational tools, including quantum-chemical modeling and classical molecular dynamics (MD) simulations. Tafel analysis revealed that FNH acts as a mixed-type inhibitor, concurrently slowing iron oxidation and hydrogen reduction. Impedance data showed that the Faradaic resistance grew monotonically with FNH dosage, reaching 95% protection at 1 × 10⁻⁴ M. Fitting the results to the Langmuir model indicated a joint physical–chemical anchoring pathway, further confirmed by SEM/AFM inspection which disclosed a uniform organic deposit. Quantum-chemical modeling revealed that protonated species broaden the molecule’s capacity for bidirectional electron exchange, while MD simulations on the Fe (110) slab confirmed a flat-lying geometry that maximizes heteroatom–metal contact. The consistency between laboratory observables and atomic-scale predictions provides a detailed, mechanism-oriented picture of how this organic protective layer curtails acid corrosion. Full article

Vanadium extraction tailings, as a highly alkaline and hazardous solid waste, pose not only serious environmental risks but also severely hinder the large-scale recycling of secondary iron resources. This study proposes an innovative process of “mild alkali leaching for vanadium extraction coupled with deep calcification and dealkali removal”. The vanadium extraction slag from a steel plant in China was used as a raw material to carry out the experimental and pilot study of alkali leaching of vanadium and calcification dealkalization. Experimental results show that under the conditions of 120 °C, 1% NaOH solution, liquid-solid ratio of 4:1 to 6:1, and reaction time of 1 h, vanadium leaching rate can reach 50%, which can be effectively used as a high-value-added economic hedge. Subsequently, under the conditions of 200 °C, calcium oxide concentration of 19.29%, stirring speed of 800 rpm, liquid-solid ratio of 4:1, and reaction time of 1 h, the Na₂O content in the tailings was successfully reduced to below 1%. A large number of tailings can be converted into high-quality secondary iron ore resources, which are suitable for subsequent iron-bearing briquette preparation and blast furnace ironmaking. Furthermore, pilot-scale testing in a 200 L reactor verified the engineering scalability of this combined process, maintaining a vanadium extraction rate of over 50% and an alkali removal rate of over 80%. This study provides a robust, scalable, and highly profitable pathway for the comprehensive utilization of high-alkali metallurgical solid waste. Full article

Background: Magnetic particle imaging (MPI) is an emerging, tracer-based modality that directly detects superparamagnetic iron oxide nanoparticles (SPIONs) with exceptional sensitivity, quantitative signal behavior, and full immunity to air–tissue susceptibility artifacts. These features make MPI particularly well-suited for pulmonary imaging, where traditional techniques such as computed tomography (CT), magnetic resonance imaging (MRI), and nuclear medicine-based ventilation/perfusion (V/Q) imaging are limited by radiation exposure, low contrast, and motion-related signal degradation. Objective: This review synthesizes the current state of MPI for lung imaging, with emphasis on its physical principles, tracer development, preclinical applications, and its potential role in assessing pulmonary perfusion, vascular integrity, inflammation, and therapeutic responses. Methods: A systematic evaluation of preclinical studies was performed across three major application domains: pulmonary perfusion mapping, cell tracking and therapeutic monitoring, and vascular injury and permeability assessment. Study designs, SPION formulations, MPI acquisition strategies, and validation methods, including histopathology, biodistribution, broncho-alveolar lavage fluid (BALF) analysis, and Evans Blue assays, were examined to characterize methodological consistency and imaging performance. Results: MPI consistently demonstrated high-contrast, quantitative visualization of pulmonary blood flow, endothelial barrier disruption, inflammatory signaling, and transplanted or inhaled cell populations. Tracer engineering played a critical role: macroaggregated albumin superparamagnetic iron oxide nanoparticles (MAA-SPIONs) enabled capillary-level perfusion mapping, LS-008 improved temporal resolution and vascular delineation, Synomag/Synomag-D allowed quantification of vascular leakage in acute and chronic lung injury, and vascular cell adhesion molecule-1 (VCAM-1)-targeted probes provided molecular-level assessment of inflammation. Hybrid MPI-CT and MPI-MRI approaches further enhanced anatomic localization and enabled accurate pulmonary blood volume (PBV) estimation. Across studies, MPI measurements showed strong agreement with established biological assays and remained free of the artifacts that limit CT and MRI in the lung. Conclusions: Preclinical evidence demonstrates that MPI is a robust, radiation-free, and quantitatively precise modality for functional and molecular lung imaging. Its ability to map perfusion, track therapeutic agents, and noninvasively quantify vascular permeability positions MPI as a promising future alternative or complement to CT, MRI, and nuclear medicine for pulmonary assessment. Continued tracer optimization, system scaling, and clinical validation are key steps toward translating MPI into routine clinical use. Full article

Metal accumulation in cacao (Theobroma cacao L.) cultivation represents an important agronomic and food-safety concern, particularly in acidic tropical soils where cadmium (Cd) and other trace metals can become bioavailable and translocate to plant tissues. Green magnetic nanomaterials offer a potential strategy for reducing metal mobility in agricultural substrates, but their performance depends on surface chemistry, dose, and plant genotype. In this study, we synthesized and evaluated MCRES, defined here as a maghemite–Citrus reticulata extract system, a biofunctionalized γ-Fe₂O₃-based nanosystem prepared by coupling iron oxide nanoparticles (NPs) with a 3% (w/v) Citrus reticulata peel extract. The objective was to determine whether citrus-mediated biofunctionalization could produce a scalable magnetic nanoamendment capable of modifying Cd and naturally occurring Ni partitioning in cacao seedlings. MCRES was recovered magnetically and dried, yielding 8.44 g of product from 10 g of precursor. Rietveld analysis performed in X ray diffractograms confirmed phase-pure cubic γ-Fe₂O₃ with a lattice parameter of 0.8332 nm, a crystallite size of 11.3(1) nm, and satisfactory refinement quality (χ² ≈ 1.34). Transmission electron microscope images showed quasi-spherical NPs with a log-normal size distribution centered at 7.5 nm. Magnetic measurements showed superparamagnetic-like behavior at 300 K, high saturation magnetization values of 62 emu g⁻¹ at 300 K and 71 emu g⁻¹ at 5 K, and elevated effective anisotropy values obtained from the Law of Approach to Saturation fitting. MCRES was applied at 0, 1, 2, 4, and 6 g pot⁻¹ to cacao seedlings containing Cd-amended Ultisol with naturally occurring Ni. Plant responses were genotype and dose dependent: TSH-1188 genotype showed limited dose sensitivity for most biometric variables, whereas ICS-95 genotype showed significant dose effects, with maximum growth at the 2 g pot⁻¹ treatment. Metal-partitioning results indicated that Cd remained comparatively mobile toward shoots, whereas Ni was preferentially retained in roots. In TSH-1188 genotype, the Ni translocation factor decreased from 3.07 in the control to 0.85–1.00 at higher MCRES doses. Compared with previous work on non-biofunctionalized nanomaghemite, these results suggest that citrus-mediated biofunctionalization produces a distinct Cd/Ni partitioning response. Overall, MCRES is recommended as a promising nursery-scale green nanoamendment for reducing metal mobility in cacao cultivation, but its agronomic use should be optimized according to genotype and dose. Future work should include side-by-side comparisons with unfunctionalized γ-Fe₂O₃, Citrus reticulata extract alone, and non-contaminated controls under field conditions to validate its long-term effectiveness and environmental safety. Full article

The wet-rail phenomenon can cause low adhesion, which negatively affects railway operation. It is believed to occur when small amounts of water mix with solid particles on wheel and rail surfaces, e.g., wear debris or iron oxides, forming a dense suspension in the wheel–rail contact, leading to sharp adhesion drops. Mini Traction Machine (MTM) tests using water-based suspensions with different particles also show adhesion drops during water evaporation, which can be linked to the wet-rail phenomenon. While the physical mechanisms underlying the adhesion drop are unclear, it is hypothesised that rapid loading raises fluid pressure in the suspension, separating wheel and rail surfaces, reducing force transfer through particle contact, thereby reducing the suspension’s shear strength. For verification, a coupled Discrete Element Method and fluid dynamics model is used to simulate a simplified MTM setting and steps towards full scale wheel–rail contact. During simulation of rapid loading, fluid pressure rises but remains negligible compared to applied contact stresses in all considered cases. Thus, it is unlikely that hydrodynamic pressure build-up within the suspension contributes significantly to the low adhesion observed. Future research should investigate additional mechanisms, such as reduced shear strength of deformed or crushed wet particles under high normal loading conditions. Full article

Iron oxides, including hematite ($\alpha$-${\mathrm{Fe}}_2$${\mathrm{O}}_3$), magnetite (${\mathrm{Fe}}_3$${\mathrm{O}}_4$), and maghemite ($\gamma$-${\mathrm{Fe}}_2$${\mathrm{O}}_3$), play central roles in catalysis, corrosion, environmental remediation, magnetic nanotechnology, and energy storage. Molecular dynamics simulations have become an essential tool for understanding their structural, magnetic, and interfacial behavior at the atomic scale. This review provides a comprehensive overview of MD methodologies applied to these materials, spanning classical force fields, reactive force fields, ab initio molecular dynamics, and emerging machine learning interatomic potentials. Particular emphasis is placed on facet-dependent surface chemistry, especially the contrast between compact (111) and open (110) planes, and on adsorption processes involving water, nitrogen-containing molecules, and representative organic compounds. The review highlights recent advances in force field development, redox modeling, and multiscale simulation strategies while critically identifying limitations related to charge transfer, mixed valence, vacancy ordering, and magnetic–chemical coupling. Finally, future perspectives are outlined toward quantitatively predictive, facet-resolved, and magnetically aware simulations of iron oxide interfaces. These developments are expected to tightly link atomistic insights with experimental observations and guide the rational design of iron oxide-based functional materials. Full article

The steel sector is one of the main contributors to carbon dioxide emissions among the industrial activities. It is mostly the use of carbon-rich blast furnaces and natural gas direct reduction processes that cause this. Hydrogen-based direct iron reduction (H-DRI) is a demonstrated method of lowering steel production carbon emissions by using hydrogen rather than carbon monoxide as the reducing agent; therefore, water vapor is released instead of carbon dioxide. This work offers a detailed analysis of the trends, operating concepts, industrial-scale trials, difficulties, and advantages of H-DRI. It is well supported by both energetic and reaction rate considerations that hydrogen is an efficient agent for the reduction of iron oxides to iron metal, giving metallization rates up to those of the traditional processes and at the same time significantly reducing GHG emissions. Moreover, industrial trials confirm that the method is technically feasible on a large scale, which is not yet realized because green hydrogen is very expensive, infrastructure needs are high, and there are still hurdles to be overcome in process optimization, such as water vapor management, pellet quality, and reactor design. According to the studies of product life cycles, if the hydrogen is extracted from renewable sources of energy, then the reduction in CO can be as high as 90%. The article also discusses different aspects of the economy, environment, and law that are already there and the ones that need to be developed so that research, technological breakthroughs, and industrial harmonization can be directed to the right spots. Practical deployment requires control of hydrogen supply, optimizing reduction processes, integrating renewable energy, and regulatory support. The results offer operational insights to the steel industry, policymakers, and academia on the path to sustainable, energy-efficient, and carbon-neutral steel production while retaining the metallurgical quality and industrial scale of the steelmaking processes. Full article

An individual’s host genetics influence its susceptibility to both COVID-19 and coronary artery disease (CAD). We analyzed large-scale GWAS datasets encompassing 7.7 million SNPs to identify shared genetic architecture between the two diseases. We identified 24 pleiotropic risk loci for both COVID-19 and CAD, with three loci (1p31.1, 8p21.3, and 18q11.2) showing strong evidence for a single shared causal variant. Loci in the 8p21.3 and 18q11.2 regions showed a bidirectional causal association: COVID-19 to CAD or vice versa, while the 1p31.1 locus only showed a CAD to COVID-19 unilateral casual association in a Mendelian randomization analysis (GSMR). A fine mapping analysis of the three loci identified three lead pleiotropic variants (rs7515509, rs8192330, and rs4800403). The variant rs7515509 was spatially associated with AK5, PIGK, USP33, and ZZZ3; rs8192330 with DMTN, PIWIL2, and several other genes; and rs4800403 with GATA6 and CTAGE1. Transcriptomic profiling of peripheral blood mononuclear cells (PBMCs) from COVID-19 patients validated proxitropic variants (rs8192330 and rs4800403) with distinct expression signatures and prioritized DMTN and PIWIL2 as the likely causal genes. Overexpression of DMTN has been linked to the heme metabolism hallmark, disrupted iron distribution in COVID-19 patients with comorbid CAD, and subsequent stress erythropoiesis, oxidative stress, immunological dysfunction, and altered wound healing, while a lower expression of PIWIL2 has been observed in the cytoplasmic translation and regulation of mRNA metabolism. In conclusion, we identified shared genetic components for COVID-19 and CAD and prioritized DMTN and PIWIL2 as the likely causal genes for the observed shared genetic risk. COVID-19 may act as an acute stressor that unmask or accelerates underlying CAD. Full article

Molten salt chlorination is a key industrial route for producing titanium tetrachloride (TiCl₄), yet the atomistic catalytic role of iron (Fe) in the carbothermic chlorination of titanium oxides remains unclear. Here, the chlorination behavior of the NaCl–C–Cl₂–FeTiO₃ system was investigated by combining thermodynamic calculations with Ab Initio Molecular Dynamics (AIMD) and Deep Potential Molecular Dynamics (DPMD) simulations. AIMD results show that carbon adjacent to Fe exhibits enhanced reactivity, and that Fe-C synergistic electron transfer promotes both titanium oxide reduction and subsequent titanium chlorination. DPMD results further reveal that Fe not only accelerates these transformations, but also improves interfacial contact among carbon, titanium oxides, and molten salt, thereby enhancing mass transfer and shortening the formation time of TiCl₄. Temperature-dependent analysis indicates that Fe-C and C-O coordination numbers remain high near 1073 K, where TiCl₄ formation is efficient and relatively stable. Although increasing temperature can further enhance diffusion, its effect on reaction acceleration is limited, while excessively high temperatures weaken Fe-C interactions and reduce catalytic efficiency. These findings clarify the catalytic mechanism of Fe in molten salt chlorination at the atomic scale and provide theoretical support for process optimization. Full article

Iron-based nanoparticles, particularly iron oxide nanostructures (IONPs), have emerged as versatile and clinically relevant platforms for drug delivery and theranostic applications. Among these, superparamagnetic iron oxide nanoparticles (SPIONs), including magnetite (Fe₃O₄) and maghemite (γ-Fe₂O₃), are the most extensively investigated due to their biocompatibility, magnetic responsiveness, and established safety profiles. Their unique superparamagnetic behavior enables external magnetic-field-guided targeting, magnetic resonance imaging (MRI) contrast enhancement, and magnetically triggered hyperthermia, enabling simultaneous diagnosis and therapy. Surface functionalization with polymers, silica, lipids, peptides, and biomolecules further improves colloidal stability, circulation time, targeting specificity, and controlled drug release. Core–shell architectures and multifunctional hybrid systems have expanded the therapeutic scope of iron nanoparticles, integrating chemotherapy, gene delivery, photothermal therapy, and Fenton reaction–mediated catalytic therapy. Despite promising preclinical outcomes, challenges remain regarding long-term biosafety, oxidative stress induction, biodistribution, large-scale reproducibility, and regulatory translation. This review summarizes the physicochemical properties, synthesis strategies, surface-engineering approaches, drug-loading mechanisms, and biomedical applications of iron-based nanoparticles, highlighting recent advances in multifunctional and peptide-functionalized systems. Critical considerations for clinical translation and future perspectives in precision nanomedicine are also discussed. Full article

Background/Objectives: Magnetic nanoparticles have emerged as powerful tools for biomedical imaging, targeted drug delivery, and hyperthermia therapy. Magnetic particle imaging (MPI) is among the most promising technologies built around its properties: a radiation-free, quantitative tomographic modality that detects superparamagnetic iron oxide nanoparticles (SPIONs) directly against a biologically silent background. This review synthesizes MPI’s physical principles, nanoparticle design strategies, and preclinical applications within the broader landscape of magnetic material engineering for biomedical use. Methods: A systematic review was conducted covering MPI signal generation and image reconstruction, nanoparticle core synthesis and surface coating approaches, and preclinical applications, spanning cell tracking, oncological imaging, vascular perfusion, neuroimaging, and MPI-guided theranostics. Studies were selected to provide quantitative benchmarks and direct comparisons with competing modalities where available. Results: MPI delivers signal-to-background ratios above 1000:1, iron-mass linearity at R² ≥ 0.99, regardless of tissue depth, and acquisition rates up to 46 volumes per second. Tracer architecture—encompassing single-core particles, multicore nanoflowers, and stimuli-responsive cluster designs—is the primary determinant of sensitivity, environmental robustness, and theranostic capability. Preclinical results include detection of cell populations in the low thousands, earlier ischaemia identification than diffusion-weighted MRI, real-time drug release quantification, and spatially confined tumour hyperthermia. Three translational bottlenecks are identified: the absence of a clinically approved tracer with optimal relaxation dynamics, hardware performance losses when scaling to human-bore systems, and overestimation of passive tumour accumulation in murine models. Conclusions: MPI illustrates how progress in magnetic material design directly expands clinical imaging and theranostic possibilities. Successful translation will require indication-driven, interdisciplinary development that integrates materials science, scanner engineering, and regulatory strategy in parallel. Full article

Advanced oxidation processes based on photo-Fenton chemistry have gained increasing attention as effective treatment alternatives for the removal of pharmaceutical contaminants from water and wastewater systems. However, large-scale implementation remains constrained by operational requirements, limited mineralization efficiency, and challenges associated with process stability and selectivity. This review provides a critical assessment of recent advances (2022–2025) in conventional photo-Fenton and hybrid systems, including photocatalysis/photo-Fenton and sono-photo-Fenton processes, with emphasis on their performance in water and wastewater treatment applications. The removal of non-steroidal anti-inflammatory drugs, antibiotics, pharmaceutical mixtures, and real wastewater matrices is analyzed considering catalyst configuration, irradiation sources, oxidant utilization, and operating conditions relevant to practical treatment scenarios. Conventional homogeneous Fe²⁺/H₂O₂ systems enable rapid contaminant degradation but typically require acidic conditions and show limited mineralization efficiency. In contrast, iron-complexed and heterogeneous catalysts allow operation under near-neutral pH and visible-light irradiation, improving applicability in realistic water treatment systems. Hybrid photocatalysis/photo-Fenton processes enhance treatment efficiency through synergistic generation of reactive oxygen species, while ultrasound-assisted systems further intensify oxidation rates and contaminant removal. Special attention is given to oxidation mechanisms, catalyst stability, transformation products, and toxicity evolution to identify the key factors controlling treatment performance. Finally, current technological limitations, operational challenges, and design considerations for process integration, scale-up, and sustainable implementation in water and wastewater treatment are discussed. Full article

This study develops generalised equations to predict arsenic removal efficiency during adsorption using synthetic sand, based on two key factors: adsorbent dose and temperature. Previous experimental investigations demonstrated that iron oxide coated sand (IOCS), aluminium oxide coated sand (AOCS), and their mixtures are highly effective for arsenic removal. Best-fit equations were first derived for IOCS and AOCS at discrete temperatures as functions of dose concentration, and these were subsequently unified into single predictive equations capable of estimating removal efficiency across a wide range of temperatures and doses. The resulting models closely replicate experimental results, with correlation coefficients exceeding 0.99 for both IOCS and AOCS. Using the same methodology, an additional equation was developed for a 50:50 mixture of IOCS and AOCS, yielding a slightly lower but still strong correlation coefficient of 0.97. In contrast, linear proportioning of the individual IOCS and AOCS equations failed to accurately predict the removal efficiency of the mixed adsorbent, indicating that simple linear scaling is inadequate for representing the combined adsorption behaviour. Full article

The performance improvement of mechanical components often relies on heat treatment processes, but these processes inevitably result in oxidation burn-off. The repeated formation and spallation of Fe₂O₃ rich oxide scales lead to substantial iron depletion and surface deterioration. Consequently, environmentally sustainable and economically viable protective coatings are required to suppress oxidation induced burn off. In this work, a TiO₂-MgAl₂O₄ composite coating was synthesized from magnesium slag and applied to Q235 carbon steel to enhance its performance during prolonged high temperature heat treatment. Oxidation tests conducted at 900 °C for 60 min demonstrated that the coating markedly improved the oxidation resistance of carbon steel, with an enhancement of approximately 87% relative to the uncoated specimens. To elucidate the protective mechanism, SEM-EDS, XRD, TG-DSC, and XPS analyses were employed. Based on Wagner Theory, the formation of interfacial phases such as Mg_7.92Al_15.31Fe_0.66O₃₂, which effectively impeded oxygen ion diffusion and thereby enhanced the oxidation resistance during high-temperature exposure. Furthermore, the synergistic effect of aluminum-, magnesium-, and titanium-containing compounds in the coating contributed to suppressing the diffusion of oxygen and iron ions, thus further improving the protective performance. This study provides a systematic theoretical foundation and practical guidance for addressing material loss during high-temperature processing of mechanical components, as well as for promoting the resource utilization of magnesium slag. Full article

The impending Euro 7 regulation will impose strict limits on brake particulate matter (PM) emissions from new light-duty vehicles, driving manufacturers to explore alternative rotor materials and/or surface treatments. This paper evaluates the friction and wear emission performance of both a laser-clad grey cast iron (GCI) rotor surface and a plasma electrolytic oxidation (PEO) treated aluminium surface compared to that of an uncoated GCI. Tests were conducted on a small-scale tribometer rig, which was specially adapted to measure airborne emissions while emulating the standard Worldwide harmonised Light vehicle Test Procedure (WLTP). The laser-clad coating was applied via extreme high-speed laser cladding to form an initial 430 L stainless steel layer, followed by a topcoat of 80/20 vol% 430L steel/TiC, both layers being c.100 micron thick. The PEO treatment applies a c.50 micron alumina coating to both a wrought and cast alloy, the latter being more suitable for the manufacture of full-size vented brake rotors. Results show that all rotor materials achieved a satisfactory coefficient of friction (CoF) against suitable low-metallic pad material, although the CoF for the wrought PEO-Al alloy was significantly higher at c.0.65 compared with c.0.50 for the other materials. The gravimetric wear of all the coated rotor surfaces after 8 WLTP cycles was almost undetectable, and pad wear was also significantly reduced. This improved wear resistance led to significant reductions in PM emissions, with the PM10 levels of the uncoated GCI reduced by around 75% for the laser-clad GCI and PEO wrought Al alloy, and by about 60% for the PEO cast Al alloy. When extrapolated to a full-sized passenger vehicle, the results indicated that both the laser-clad GCI and PEO-treated surfaces have the potential to meet the current Euro 7 emissions targets. Full article