Search Results (2,159)

The oxalic acid leachate of vanadium-bearing shale (OALS) is a complex system in which the ion states and coordination mechanisms of the primary metallic elements—vanadium, iron, and aluminum—are not fully understood. This study investigated the ionic speciation and coordination mechanisms of vanadium, iron, and aluminum in OALS. The results indicate that vanadium predominantly existed as VO(C₂O₄)₂²⁻ anions, iron as Fe(C₂O₄)₂⁻ and Fe(C₂O₄)₃³⁻ anions, and aluminum as Al(C₂O₄)₂⁻ and Al(C₂O₄)₃³⁻ anions. The coordination reaction processes and equations of various oxalate complexes were examined. Regardless of whether the molar ratio was 1:1 or 1:2, the iron–oxalate complex exhibited the lowest reaction Gibbs free energy (ΔG), with values of −5343.69 and −1470.72 kJ/mol, respectively. The aluminum–oxalate complex followed, with ΔG values of −5169.23 and −1318.87 kJ/mol, respectively. The vanadium–oxalate complex displayed the highest reaction ΔG, at −2760.65 and −714.12 kJ/mol, respectively. Therefore, the coordination mechanism of vanadium, iron, and aluminum with oxalate ions in OALS is such that iron coordinated with oxalate first, followed by aluminum, and finally vanadium. The research results have important guiding significance for the purification, enrichment, and coordination mechanisms of complex solutions. Full article

Controlling dissolved nitrogen is critical to meeting increasingly stringent steel quality targets, yet the variable kinetics of gas absorption and removal across production stages complicate real-time decision-making. Leveraging a total of 291 metal samples, the research applied ordinary least squares (OLS) regression, enhanced by cointegration diagnostics, to develop four stage-specific models covering pig iron after desulfurization, crude steel in the basic oxygen furnace (BOF) before tapping, steel at the beginning and end of secondary metallurgy processing. Predictor selection combined thermodynamic reasoning and correlation analysis to produce prediction equations that passed heteroscedasticity, normality, autocorrelation, collinearity, and graphical residual distribution tests. The k-fold cross-validation method was also used to evaluate models’ performance. The models achieved an adequate accuracy of 77.23–83.46% for their respective stages. These findings demonstrate that statistically robust and physically interpretable regressions can capture the complex interplay between kinetics and the various processes that govern nitrogen pick-up and removal. All data are from U. S. Steel Košice, Slovakia; thus, the models capture specific setup, raw materials, and production practices. After adaptation within the knowledge transfer, implementing these models in process control systems could enable proactive parameter optimization and reduce laboratory delays, ultimately minimizing excessive nitrogenation in finished steel. Full article

As an important agricultural ecosystem, greenhouse gas (GHG) emissions and arsenic (As) mobilization in rice paddy fields have gained significant attention on climate change and food safety. There is a certain correlation between the GHG and As migration in rice paddy fields. The oxidation of methane in paddy fields can provide electrons for the reduction and release of arsenate. Nitrate in rice paddy soil can promote the fixation of As by oxidizing Fe (II) to form iron oxide–As complexes or directly oxidize As (III) to As (V) to reduce the toxicity of As. However, incomplete denitrification of nitrate can lead to the emission of N₂O. This review systematically expounds the research advances, influencing factors and simultaneous mitigation measures of GHG emissions and As mobilization in rice paddy fields. It focuses on discussing the influence mechanisms of soil physical and chemical properties, water management measures, fertilization methods, and the addition of soil conditioner on As migration and GHG emission, and it looks forward to future research directions. It aims to provide a theoretical basis and practical guidance for reducing the risk of As contamination in rice fields, reducing GHG emission, and achieving sustainable development of rice production. Full article

Iron(III) (Fe(III)) complexes have recently emerged as safer alternatives to magnetic resonance imaging (MRI) contrast agents (CAs), reigniting interest in biomedical research. Although gadolinium Gd(III)-based contrast agents (CAs) have been widely used in MRI over the past four decades, their use in the current clinical routine is severely constrained due to concerns about high toxicity and environmental impact. Research is now focusing on synthesizing safer contrast agents with alternative paramagnetic ions like Fe(III) or Mn(II). MRI CAs with integrated potent therapeutic moieties may offer synergistic advantages over traditional contrast agents in clinical use. The study explored the use of salinomycin-ferrihydrite composites as possible effective ensembles of imaging and therapeutic units in the same molecule, evaluating their anticancer activity and influence on the signal in MRI. The composites were characterized using Mössbauer spectroscopy and ICP-MS for iron content determination. The in vitro relaxivity measurements in a high-field MR scanner demonstrated the potency of the composites as T₂ enhancers. The antitumor activity of one selected Sal-ferrihydrite composite was tested in three human cancer cell lines: A549 (non-small cell lung cancer); SW480 (colon cancer); and CH1/PA1 (ovarian teratocarcinoma) by the MTT cell viability assay. The new Sal-ferrihydrite composite showed a pronounced cytotoxicity in all three human cancers in line with enhanced signal in MRI, which makes it a promising candidate for future biomedical applications. The superior cytotoxic effect, together with the strong signal enhancement, makes these compounds promising candidates for further detailed investigations as future theranostic agents. Full article

The development of electrocatalysts composed of earth-abundant elements is essential for advancing the commercial application of Proton Exchange Membrane Fuel Cells (PEMFC). Among these, single-atom electrocatalysts, such as Fe-N-C, show great promise for the oxygen reduction reaction (ORR). This study aims to improve the ORR activity and stability of Fe-N-C electrocatalysts by fine-tuning the straightforward 1,10-phenanthroline-iron complexation synthesis method. Key parameters, including iron-to-phenanthroline ratio, carbon powder surface area, and pyrolysis temperature were systematically varied to evaluate their influence on the resulting electrocatalysts. The findings of this study revealed that the electrocatalysts synthesized with 1,10-phenanthroline (Phen) and high-surface-area Black Pearls (BP) possessed much better ORR activity than electrocatalysts prepared by using Vulcan carbon (lower surface area). Interestingly, electrocatalysts prepared with BP, but with a non-bidentate nitrogen-containing ligand molecule, such as imidazole, showed a much poorer activity, as the resulting material predominantly consisted of inactive structures, such as encapsulated iron nanoparticles and iron oxide, as evidenced by HR-TEM, EXAFS, and XRD. Therefore, the results suggest that only the synergistic combination of the bidentate ligand phenanthroline (Phen) and the high-surface-area carbon support (BP) favored the formation of ORR-active Fe-N-C single-atom species upon pyrolysis. The study also unveiled a significant enhancement in electrocatalyst stability during accelerated durability tests (and air storage) as the pyrolysis temperature was increased from 700 to 1300 °C, albeit at the expense of ORR activity, likely resulting from the generation of iron particles. Pyrolysis at 1050 °C yielded the electrocatalyst with the most favorable balance of activity and stability in rotating disk measurements, while maintaining moderate durability under PEM fuel cell operation. The insights obtained in this study may guide the development of more active efficient and durable electrocatalysts, synthesized via a simple method using earth-abundant elements, for application in PEMFC cathodes. Full article

Iron represents an essential element required for normal physiologic processes throughout organ systems. A vast network of transporters is involved not only in uptake of this element but in processing, oxidation, and recycling to maintain it in a tight balance to avoid excess storage. This complex network of transporters, including heme and ferroportin, among many others, are responsible for facilitating inter-organ tissue iron exchange and availability, contributing to overall heme homeostasis. However, exposure to high levels of iron can overwhelm compensatory mechanisms that result in its accumulation and toxicity. This is the case of patients with genetic diseases such as hemoglobinopathies who suffer from chronic anemia and require, in most instances, a lifetime of red blood cell transfusions to overcome disease crises. Thus, in light of the extensive role of iron in the body, the aim of this review is to present important metabolic pathways involved in iron homeostasis across the cardiovascular, reproductive, hematopoietic, urinary, respiratory, endocrine, and central nervous systems while contrasting these against negative effects caused by iron excess. Full article

Microminerals such as cobalt (Co), copper (Cu), iodine (I), iron (Fe), manganese (Mn), molybdenum (Mo), selenium (Se), and zinc (Zn) play key roles in cattle health. However, trace element imbalances are often underdiagnosed. This study retrospectively analyzed serum samples from 1273 cows across 117 herds in Spain, encompassing conventional dairy (n = 46), pasture-based dairy (n = 11), organic dairy (n = 25), and semi-extensive beef (n = 35) systems. Trace elements were determined by inductively coupled plasma mass spectrometry (ICP-MS). All herds were investigated for clinical or productive issues where mineral deficiencies were suspected. Significant differences were found in serum trace mineral concentrations between production systems. Adequacy rates were highest in conventional dairy herds receiving routine mineral supplementation, while deficiencies in Se, I, and Cu were frequently detected in pasture-based, organic, and beef herds. Zinc deficiencies were rare and typically involved complex, combined deficiencies. At the farm level, multielement deficiencies (≥3 elements) were detected in 39–45% of organic, pasture-based, and beef herds, but in only 5% of conventional dairy herds (p < 0.001). Principal component and cluster analyses produced consistent groupings of minerals according to dietary supplementation and soil-driven exposure. These findings highlight the increased vulnerability of low-input systems to complex micromineral imbalances and underline the importance of system-adapted mineral-monitoring and supplementation strategies in herd health management. However, as the study is based on diagnostic submissions rather than a randomized herd survey, the findings should be interpreted with caution due to potential selection bias. Full article

Tryptophan hydroxylase 2 (TPH2) hydroxylates L-tryptophan to L-5-hydroxytryptophan (5-HTP) the first and rate-limiting step of serotonin (5-HT) synthesis in the mammalian brain. Some mutations in the Tph2 gene reducing TPH2 activity are associated with hereditary depressive disorders. The P447R substitution in the mouse TPH2 molecule reduces its thermal stability in vitro and its activity in the brain. The effects of iron ions on thermal stability in vitro and the activity in the brain of the mutant TPH2 were investigated. In the in vitro experiment effects of 0.01, 0.05, and 0.2 mM of FeSO₄ and FeCl₃ on the enthalpy (ΔH) and Gibbs free energy (ΔG) of thermal denaturation of the mutant TPH2 extracted from the midbrain of Balb/c mice were assayed. All FeSO₄ concentrations and 0.05 and 0.2 mM concentrations of FeCl₃ increased these thermodynamic characteristics of the mutant TPH2. Repeated (for 7 days) intramuscular administration of Fe(III) hydroxide dextran complex (15 and 30 mg/kg/day) increased TPH2 activity in the hippocampus, but not in the midbrain in Balb/c mice. Repeated (for 7 days) intramuscular administration of Fe(III) hydroxide dextran complex (15 and 30 mg/kg/day) together with thiamine (8 mg/kg/day) and cyanocobalamin (0.8 mg/kg/day) increased TPH2 activity in the hippocampus, while 30 mg/kg of Fe(III) hydroxide dextran also increased the enzyme activity in the midbrain in Balb/c mice. These results are the first evidence for chaperone-like effects of iron ions on thermal stability in vitro and activity in the brain of the mutant TPH2. Full article

In some cases, the catalytic processes involve the formation of self-organized supramolecular structures due to H-bonds and other non-covalent interactions. It has been suggested that the construction of self-assembled catalytic systems is a promising strategy to mimic enzyme catalysis at the model level. As a rule, the real catalysts are not the primary catalytic complexes, but rather, those that are formed during the catalytic process. In our earlier works, we have established that the effective catalysts M(II)_xL¹_y(L¹_ox)_z(L²)_n(H₂O)_m (M = Ni, Fe, L¹ = acac⁻, L² = activating electron-donating ligand) for the selective oxidation of ethylbenzene to α-phenyl ethyl hydroperoxide are the result of the transformation of primary (Ni(Fe)L¹)_x(L²)_y complexes during the oxidation of ethylbenzene. In addition, the mechanism of the transformation to active complexes is similar to the mechanism of action of NiFeARD (NiFe-acireductone dioxygenase). Based on kinetic and spectrophotometric data, we hypothesized that the high stability of effective catalytically active complexes may be associated with the formation of stable supramolecular structures due to intermolecular hydrogen bonds and possibly other non-covalent bonds. We confirmed this assumption using AFM. In this work, using AFM, we studied the possibility of forming supramolecular structures based on iron complexes with L²-crown ethers and quaternary ammonium salts, which are catalysts for the oxidation of ethylbenzene and are models of FeARD (Fe-acireductone dioxygenase). The formation of supramolecular structures based on complexes of natural Hemin with PhOH and L-histidine or Hemin with L-tyrosine and L-histidine, which are models of heme-dependent tyrosine hydroxylase and cytochrome P450-dependent monooxygenases (AFM method), may indicate the importance of outer-sphere regulatory interactions with the participation of Tyrosine and Histidine in the mechanism of action of these enzymes. Full article

Energy shortage and environmental pollution have accelerated the adoption of lithium-ion batteries (LIBs) as efficient energy storage solutions. However, their performance and safety challenges under extreme temperatures highlight the urgent need for effective temperature control during charging and discharging, making a comprehensive understanding of electrochemical and thermal behaviors crucial. This paper develops a 3D electrochemical–thermal coupled model for 150 Ah lithium iron phosphate (LFP) batteries to investigate thermal behavior at varying charge–discharge rates. An integrated learning regression prediction system, incorporating a structured vector autoregression (SVAR) model, is subsequently proposed to analyze the interactions among multiple electrochemical and thermal variables. The temperature difference exceeds 5 °C at higher charging rates (1.3C, 1.5C), driven primarily by accelerated heat generation—especially reversible heat. Complex interactions exist between electrochemical and thermal parameters. When charging at 0.5C, voltage, current density, battery capacity, and the maximum temperature difference (MTD) are all significantly and positively correlated (p < 0.001). Under 1C discharge conditions, voltage exhibits a strong positive correlation with most thermal characteristic variables, and correlation coefficients across different operating conditions range from −0.9731 to 0.973. Finally, the proposed ensemble learning system exhibits excellent prediction accuracy, strong generalization, and robust trend analysis, with practical guiding value. Full article

Background: Grain foods are important sources of complex carbohydrates, fiber, vitamins, and minerals. Objective: To identify healthy grain foods and to assess their associations with composite diet quality measures and selected health outcomes. Methods: Healthy grain foods were identified using two methods. The first one, Carbohydrate Food Quality Score (CFQS-3) was based on whole grains, fiber, and added sugar. The second, NRF9.3g score for grains, balanced nutrients to encourage (protein, fiber, vitamins B1, B2, B3, and E, folate, iron, and magnesium) against added sugar, sodium, and saturated fat. Nutrient composition data for 1244 grain foods came from the USDA Food and Nutrient Database for Dietary Studies (FNDDS 2017–2023). Dietary intakes came from the National Health and Nutrition Examination Surveys (NHANES 2017–2023). The Healthy Eating Index (HEI 2020) and the diet-level Nutrient Rich Food Index (NRF) were the two measures of diet quality. National food prices came from the USDA 2021 Thrifty Food Plan. Data on body weight, waist circumference, insulin, and cholesterol came from NHANES clinical files. Results: Healthy grain foods were those that scored >2 points on CFQS-3 or were in the top tertile of NRF9.3g scores. The CFQS-3 score favored cooked whole grains and cereals and savory snacks. The NRF9.3g score gave the highest ratings to breads, rolls, and RTE cereals. Consumers of healthy grains identified using both methods had higher HEI 2020 values and higher diet-level NRF scores. Both effects were dose-dependent. Consumption of healthy grains was associated with lower obesity rates and lower fasting insulin levels. Conclusions: Consumption of healthy grain foods was associated with healthier diets and lower obesity prevalence. Dietary guidelines need to acknowledge the contribution of healthy grain foods to diet quality and health. Full article

Detecting surface mineral indicators with high spatial precision remains a significant challenge in mineral exploration, particularly in remote or geologically complex regions such as Eastern Kazakhstan. This study addresses this challenge by integrating high-resolution multispectral imagery from Unmanned Aerial Vehicles (UAVs) to map iron oxide distributions, key indicators of ore mineralization such as copper porphyry at the Kyzylkiya mining site in Eastern Kazakhstan. The novelty of this study is the development of a statistical fuzzy logic model that integrates UAV-derived spectral indices, including the Normalized Difference Vegetation Index (NDVI) and targeted band ratios, to generate probabilistic maps of iron oxide presence at a fine spatial resolution of 5.29 cm. This approach enhances prediction accuracy by incorporating uncertainty and variability in spectral responses. The model’s output was validated through a multi-stage process involving independent multispectral datasets and ground-truth sampling, achieving an overall accuracy of 80%. The results reveal concentrated iron oxide anomalies in the northeast and northwest of the study area, underscoring the method’s effectiveness. This integrated UAV-fuzzy logic framework demonstrates a scalable and cost-effective solution for early-stage mineral exploration and can be adapted to similar geological settings globally. Full article

Additive Manufacturing is a rapidly developing technology that enables the fabrication of objects with complex geometries and high levels of customization while keeping the prototyping costs relatively low. In recent years, its application has grown to include the fabrication of end-use parts, creating new opportunities in industries such as the automotive, aerospace, mechanical, and hydraulic engineering industries. The present research paper focuses on the fabrication and evaluation of 3D-printed operational end-use parts of a water pump, which were originally made from cast iron. This approach aims to determine whether AM can be an alternative for metal parts in operational systems such as water pumps. In particular, the impeller of a centrifugal pump is remanufactured using material extrusion AM technology with PPS-CF composite polymer as a fabrication material. Subsequently, the surface roughness of the two parts is measured, and the performance of each part is predicted by creating a CFD model. Additionally, the printed part is compared to the original part by conducting a centrifugal pump performance test for each impeller. The results show that the 3D-printed impeller achieves an approximate 15% increase in overall efficiency compared to the original impeller. Full article

Sludge dewatering is a key step in the overall process of sludge treatment and disposal. In this study, ferric tannate was synthesized by chemically complexing tannic acid with Fe₂(SO₄)₃ under various conditions and then was innovatively employed to enhance electrochemical conditioning (ECC) for municipal sludge dewatering. The optimal preparation conditions of ferric tannate were determined as a tannic acid to iron ion molar ratio of 0.8:10, pH of 10, and reaction time of 2 h. Subsequently, ferric tannate-enhanced ECC was investigated under different dosages and operating parameters. The optimal conditions were identified as ferric tannate dosage of 20% total solid, voltage of 50 V, and reaction time of 30 min, under which capillary suction time, specific resistance to filtration, and water content of dewatered sludge cake decreased by 84.3%, 84.2%, and 17.6%, respectively. Results of the mechanism analysis indicated that ferric tannate effectively reduced sludge viscosity, increased zeta potential, and neutralized the negative surface charges via charge neutralization, hydrophobic interactions, and hydrogen bonding. Meanwhile, adsorption bridging promoted floc aggregation and particle growth. Compared with the ECC process alone, the addition of ferric tannate in the ferric tannate-enhanced ECC process generated more ^•OH, promoting the extracellular polymeric substance degradation and protein removal, thereby improving sludge hydrophobicity. Furthermore, the floc structure was reconstructed into a more compact and smooth morphology, facilitating the release of bound water during filtration. These findings provide new technical and theoretical support for the development of eco-friendly and efficient sludge conditioning and dewatering processes. Full article

Background/Objectives: Carbapenem-resistant Klebsiella pneumoniae (CRKP) is an urgent public health threat due to its rapid dissemination and resistance to last-line antibiotics. Cefiderocol (FDC), a novel siderophore cephalosporin, targets resistant Gram-negative pathogens by exploiting bacterial iron uptake mechanisms. However, resistance to FDC is emerging among Klebsiella pneumoniae carbapenemase (KPC)-producing K. pneumoniae strains. This study characterizes a spontaneous FDC-resistant subpopulation (IHC216) derived from a KPC-producing strain (KPNMA216) using comprehensive genomic, transcriptional, and phenotypic analyses. Methods: Given the whole-genome sequencing results, where mutations were identified in genes involved in transcriptional regulation and membrane permeability (ompC) among others, in the present work we further explore their potential implications and conduct a more detailed analysis of the IHC216 genome. A qRT-PCR analysis highlighted significant downregulation of classical siderophore-mediated iron acquisition systems (fepA, cirA, iroN) and upregulation of alternative iron uptake pathways (iucA, fiU), reflecting a switch in iron acquisition strategies. Results: A notable downregulation of bla_KPC-163 correlated with restored susceptibility to carbapenems, indicating collateral susceptibility. Altered expressions of pbp2 and pbp3 implicated adaptive changes in cell wall synthesis, potentially affecting FDC resistance mechanisms. Furthermore, enhanced oxidative stress responses via upregulated sodC expression and increased capsule production were observed. Conclusions: These findings underscore the complex interplay of genetic and transcriptional adaptations underlying FDC resistance, highlighting potential therapeutic vulnerabilities. Full article