In the aeronautics industry, high-strength steels such as AerMet 100 and 4340 are widely used in critical structural components that must withstand extreme operating environments. These materials possess high tensile strength, fracture toughness, and fatigue resistance. The aim of this investigation is to study the susceptibility to localized pitting corrosion of two aeronautics alloys, AerMet 100 and 4340, and their immersion in H2SO4, NaCl, and HCl solutions at room temperature, using electrochemical noise (EN) according to the ASTM ASTM-G199 standard. The EN signal was filtered by two different methods, and the polynomial method was employed to obtain Rn, LI, Kurtosis, Skewness, and the potential spectral density analysis (PSD). Results indicate that AerMet 100 exhibits lower corrosion rate-up to an order of magnitude lower than 4340. The resistance noise of 1599 Ω·cm2 in NaCl is higher. This same behavior is replicated when analyzing the noise impedance response (Zn). In conjunction with the analyses of PSD slope, it is reported that localized corrosion is the predominant mechanism in the evaluated environments.
Background/Objectives: Urinary incontinence (UI) is common among women practicing sports, particularly those involving heavy lifting or high-impact movements that increase intra-abdominal pressure. UI can negatively affect social life, self-confidence, and motivation to remain active. This study aimed to examine the associations of sociodemographic, training-related, obstetric, and surgical factors with UI in female weightlifters. Methods: This cross-sectional study included 84 French women who regularly practiced weightlifting. Participants completed a structured questionnaire collecting sociodemographic and gynecological information, as well as the Urinary Symptom Profile (USP). Data were analyzed using appropriate inferential statistical tests, including the Mann-Whitney U test, Student's t-test, chi-square test, and Fisher's exact test, as applicable. A 95% confidence level was adopted for all analyses. Results: Among participants (aged 15-49 years), 51 (60.7%) reported involuntary urine leakage, and 31 (36.9%) scored 1-3 on the USP stress incontinence subscale. Most participants were non-smokers (73.8%), with a median of 3.5 years of weightlifting experience, four weekly training sessions, and six-seven competitions per year. No significant associations were found between UI and sociodemographic factors, obstetric history, previous surgeries, or training characteristics. Maximal lifts in Clean & Jerk and Snatch exercises were also similar between participants with and without UI. Slight trends suggested a higher UI prevalence among women with vaginal deliveries, episiotomies, or vaginal lacerations. Regarding athletes with and without UI, no differences were found (p > 0.05) with respect to weightlifting belt use or the breathing phase during load lifting. Conclusions: UI is common among female weightlifters, but in this study, was not associated with sociodemographic factors or weightlifting practices. These findings indicate that UI prevalence cannot be explained by the variables studied and highlight the need for further research into other potential contributing factors.
Imidazolidine compounds have a wide range of applications in various fields, ranging from pharmaceuticals to corrosion inhibition. Their structural flexibility enables the synthesis of numerous analogues through chemical substitution, establishing them as a valuable framework for experimental and theoretical studies. In this work, the molecular properties of 2-(nitromethylene) imidazolidine (IMD), a promising steel corrosion inhibitor, is investigated by combining experimental measurements with density functional theory (DFT) calculations. Electronic structure calculations were carried out to assist in the interpretation of experimentally obtained nuclear magnetic resonance (NMR) spectra, Raman spectrum and UV/VIS spectra. As main results, the absorption maximum of IMD was observed at 370 nm, corresponding to the S0→ S1 excitation. The experimental and theoretical Raman spectra obtained in the region of 100-1700 cm-1 showed good agreement, as well as the theoretical and experimental NMR spectra for 100 and 400 MHz. In addition, the spin-orbit coupling (SOC) calculation of 48.38 cm-1 reveal that the triplet sublevel with MS=+1 provides the dominant contribution to the phosphorescence mechanism in IMD.
The state-averaged complete-active space self-consistent field method (SA-CASSCF) is a widely employed electronic structure method used for studying photochemistry and dynamics owing to its ability to provide a reliable description even of complicated cases while still retaining computational efficiency. However, SA-CASSCF suffers from one Achilles heel, related to the description of ionic ππ* excited states, whose energy is often overestimated by 1-2 eV. In light of this challenge, we present the XS-CASSCF method, a new approach based on the idea of exchange scaling (XS) that screens the involved energy terms to improve the excitation energies of singlet ionic ππ* states. First, we illustrate the power of the XS-CASSCF method using hexatriene and para-quinodimethane as examples, showing that it corrects the targeted ionic states while leaving the other states largely unaffected, giving root-mean-square errors (RMSE) below 0.2 eV for the four lowest states in both cases. Subsequently, XS-CASSCF vertical excitation energies are tested against theoretical best estimates for a set of 11 molecules and 56 excited states. XS-CASSCF performs exceptionally well for the ππ* states of hydrocarbons, reducing the RMSE over 21 excitation energies from 0.96 to 0.27 eV. In the challenging subset of molecules with heteroatoms and a larger number of ππ* and nπ* states, we find that improvements can also be obtained, albeit not as pronounced. We conclude with an outlook into more realistic molecular materials focusing on their singlet-triplet (S1/T1) gaps, finding that significant improvements can be obtained along the whole range of S1/T1 gaps studied, going from 0.1 eV to more than 1.5 eV. Owing to notable improvements across significant classes of molecules combined with its conceptual simplicity, we believe that XS-CASSCF is a promising addition to the electronic structure toolbox, serving both as a standalone electronic structure method and as a starting point for further correlated treatment.
Hybrid CoO2@CoO nanoparticles were synthesized for the first time using d-glucose as a stabilizing agent. Their structural, morphological, vibrational, and magnetic properties were systematically studied using a wide range of techniques, such as Transmission Electron Microscopy (TEM, HR-TEM, EDS), X-ray Photoelectron Spectroscopy (XPS) and, DC and AC magnetic magnetization experiments (M-(T), M-(H), and χ-(T,f)). XPS data indicated high chemical stability, while magnetic measurements revealed that the hybrid material exhibited magnetic ordering below 8 K. The susceptibility peak showed a dependence on the excitation-field frequency, a feature commonly found in ensembles of small magnetic particles in the superparamagnetic regime. These nanoparticles were successfully used as catalysts for hydrogen generation via NaBH4 hydrolysis. Their high catalytic activity sites were attributed to their well-distributed crystallites, which are responsible for the highly dispersed catalytic that promotes the hydrolysis of alkaline sodium borohydride solution. The hydrogen generation rate reached 1452.5 mL H2 min-1 gcat -1 at room temperature (25-30 °C) and the apparent activation energy was calculated to be 51.73 kJ mol-1.
A series of new monocationic Ru complexes containing phenanthroline derivatives were developed. The monometallic complexes [Ru-(κ2-OAc)-(dppb)-(N,N)]-OAc derivatives were synthesized in high yield via the reaction between [Ru-(κ2-OAc)2dppb] and the corresponding N,N ligand. Additionally, dinuclear [(dppb)-(κ2-OAc)-(Ru-(μ-N,N--C,N)-Ru-(κ2-OAc)-(dppb)]-OAc complexes were synthesized from equimolar amounts of the appropriate monometallic complex and [Ru-(κ2-OAc)2dppb]. All complexes were characterized by NMR, FTIR, UV-vis spectroscopy, and cyclic voltammetry. These precatalysts display selective catalytic activity toward dehydrogenation of formic acid for H2 production, with the dinuclear systems demonstrating superior performance, achieving up to 100% conversion under optimized conditions. The dinuclear system maintained consistent TOF50 values through several catalytic cycles, demonstrating excellent stability. Mechanism investigations revealed the formation of two Ru-monohydride species, showing a fac-RuHP2 and a mer-RuHP2 arrangement, respectively, formed via substitution of a κ2-OAc by a κ2-O2CH followed by a β-elimination, where both are involved in the mechanisms. DFT calculations of the species involved in the mechanism showed that fac-RuHP2 is lower in energy than mer-RuHP2. The complexes were additionally applied in the transfer hydrogenation of CO2 to produce formic acid with 2-propanol.
Value-Based Healthcare (VBHC) is gaining traction in civilian systems, but its relevance and feasibility for Military Health Systems (MHSs) in Central and Eastern Europe (CEE) remain unclear. This pilot study explored familiarity, perceived applicability and desirability of VBHC among military healthcare stakeholders. A pilot cross-sectional perception study was conducted during the 2024 VIMIMED Military Medicine Conference, combining a brief expert introduction with a structured survey. The survey assessed baseline familiarity, perceived applicability in home-base and operational care, and desirability of VBHC implementation. Descriptive statistics were used. The association between familiarity and desirability was explored using Fisher's exact test. Among 65 workshop participants, 37 completed the survey. Over half of respondents reported low baseline familiarity with VBHC (51.4%). Despite this, VBHC was widely perceived as desirable (89.1%). No statistically significant association was found between familiarity and desirability (Fisher's exact test, P = .672). Thirty-five respondents considered VBHC applicable in at least one domain and were included in component-level analyses. The components "multidisciplinary team," "educate, innovate & improve," and "IT & data" were most frequently endorsed as applicable. Respondents who perceived VBHC as applicable in both home-base and operational care tended to endorse more components than those who perceived applicability in home-base care only. Despite limited baseline familiarity, VBHC was widely perceived as desirable and contextually applicable within CEE MHSs. These exploratory findings suggest potential for targeted, phased integration of selected VBHC components. Larger and, more representative studies are needed to assess implementation feasibility, pathways, and sustainability of VBHC in MHSs.
Electrolyte solutions at high concentration are indispensable and yet poorly understood. In particular, the extent of speciation─the formation of complexes composed of multiple species─in concentrated ionic solutions is very challenging to obtain theoretically and experimentally, but can have a strong effect on solution properties. The literature is rife with contradictory estimates of speciation from experiments. We find that speciation affects transport properties and is therefore a prerequisite to accurately model concentrated solutions. We turn this to our advantage by showing that the viscosity can be used to determine the extent of complexation in concentrated aqueous solutions. Results of simulations as well as experimental measurements are presented. The atomistic Madrid-2019 force field is extended to model FeCl2. Solutions of FeCl2 and MgCl2 are compared, and the observed difference in viscosity is explained by more complexation in the former, a conclusion supported by recently reported X-ray absorption and neutron scattering experiments.
This study proposes a noninvasive machine learning approach to infer pressure by analyzing the infrared spectral lines of the HCl molecule. High-resolution spectra were simulated using the HITRAN database across various pressures (15-900 mbar), temperatures (273-373 K), and optical paths (1-10.5 cm). Voigt profile parameters (amplitude, center, height, and Gaussian/Lorentzian widths) were extracted from these spectral lines and used to train six ML models. The ExtraTrees algorithm demonstrated superior performance, achieving an RMSE of 23.95 mbar on synthetic data. Validation with experimental spectra (78-790 mbar, 293 K) revealed strong agreement at lower pressures, with errors below 5% (e.g., 2.62% at 78 mbar). The hybrid methodology, which combines simulated training with experimental validation, circumvents the need for direct sensor exposure to corrosive environments and offers a reliable alternative for pressure retrieval.
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The emergence and persistence of plasmid-mediated polymyxin resistance in Brazilian poultry production pose a significant One Health challenge. Here, cloacal swabs from 202 broilers across four farms in the State of Rio de Janeiro yielded 125 Enterobacteriaceae isolates growing on polymyxin-EMB agar. Escherichia coli accounted for 99% of resistant isolates, with one Klebsiella pneumoniae. Multidrug resistance (MDR) was observed in 75% of polymyxin-resistant strains. PCR screening revealed mcr-1 and mcr-5 genes. Conjugation assays demonstrated horizontal transfer of mcr-1 plasmids (48.5–194 kb). MLST assigned key strains to ST10 and ST48, both within the high-risk CC10 lineage. These findings underscore the entrenched nature of polymyxin resistance despite regulatory bans, highlight the risk of zoonotic transmission of MDR determinants, and call for enhanced surveillance, biosecurity and alternative interventions to mitigate the spread of mobile polymyxin resistance in poultry environments.
This study investigates the implantation of astrobiologically relevant elements (e.g., carbon (C), oxygen (O), nitrogen (N), sulfur (S) and phosphorus (P)) into molecular clouds induced by cosmic rays. Using the Monte Carlo toolkit Geant4, we simulated the interaction of incoming high-energy protons and alpha particles with a molecular clump characterized by a centrally concentrated density profile and a mass of approximately 30 M⊙. The results reveal a spatial gradient in implantation rates, with the highest rates occurring in the central regions due to increased target densities and reduced projectile energy. Protons (p) dominate the implantation process across all regions, followed by O, C, N, S, and P, with element-specific implantation efficiencies varying with distance from the clump center. This research identified regions inside the molecular cloud with distinct domains of atomic implantation enrichment with implications for astrobiology. The region at ∼1 AU exhibits the interesting atom implantation enrichment of the studied atoms, making it particularly significant for the formation of complex organic molecules. The findings highlight the importance of cosmic ray interactions in selectively enriching specific regions of molecular clouds with astrobiologically essential elements.
The increasing need for sustainable construction materials has prompted research into alternatives to Ordinary Portland Cement (OPC), a major contributor to global CO2 emissions. Geopolymers, synthesized via alkali activation of aluminosilicate precursors such as metakaolin and fly ash, are a promising alternative, reducing up to 80% of carbon emissions. However, their long-term durability in aggressive chemical environments, particularly when up against organic acids, remains insufficient. While mineral and inorganic acid resistance have been studied, the impact of naturally occurring organic acids like oxalic acid (Ox)-commonly found in soils and organic-rich sediments-has received limited attention. Ox is known to chelate metal ions and alter mineral phases, potentially affecting the integrity of geopolymer matrices. This study investigates the degradation behavior of geopolymers under continuous exposure to Ox (0.2, 0.4, and 0.6 M) at 25 °C using a flow-through reactor. Mass loss over time was monitored to determine reaction kinetics, while SEM, FT-IR, XRD, and EDS analyses were conducted to evaluate microstructural and chemical changes. The results revealed significant alterations in the geopolymers' structures due to Ox exposure, providing key insights into their vulnerability to organic acid attack. These findings indicate the importance of considering organic acid interactions in long-term performance assessments of geopolymers.
Heterojunction engineering is a promising approach to overcoming the intrinsic limitations of individual semiconductor photocatalysts. In this context, WO3/CuWO4 and WO3/CuWO4/TiO2 heterojunctions were deposited by reactive magnetron sputtering. The resulting heterojunctions were subjected to annealing in air at 600 °C and systematically investigated, with respect to their structural, optical, and photocatalytic properties. The characterization of the developed samples, including X-ray diffraction, Rietveld refinement, Raman spectroscopy, scanning electron and atomic force microscopies (SEM and AFM), and optical spectroscopy, revealed the possibility of controlling the WO3/CuWO4 ratio, directly influencing the heterojunction band gap and surface morphology. Photocatalytic degradation of methylene blue under 405 nm LED illumination demonstrated that intermediate WO3/CuWO4 compositions achieved the highest efficiencies, which may be attributed to enhanced charge separation at the type-II heterojunction interface. Besides, the introduction of an ultrathin TiO2 overlayer (∼2 nm) further improved the dye degradation activity. This effect is attributed to defect passivation and selective hole transport. In contrast, with thicker TiO2 overlayers, the heterojunction contribution is suppressed, and the activity behavior is similar to that observed for bulk TiO2. These results highlight the critical role of precise stoichiometric control and surface overlayer engineering in optimizing the performance of oxide-based heterostructures, establishing sputtering deposition as a scalable strategy for photocatalytic applications in environmental remediation and solar-driven energy conversion.
Iron mines with manganese contamination, as well as manganese mines, are found in various locations worldwide. During manganese ore extraction, permanganate ions (MnO4 -) are released into water bodies, imparting an intense purple coloration that reduces light penetration, which can disrupt photosynthetic processes and negatively impact aquatic life. Additionally, their cytotoxic properties pose severe environmental and health risks. This study investigates the adsorption of MnO4 - onto Cr-doped magnetite nanoparticles (Cr-MNPs) as a potential remediation strategy for contaminated aqueous environments. Cr-MNPs and undoped magnetite nanoparticles were synthesized via the coprecipitation method and characterized using powder X-ray diffraction (XRD), revealing the presence of partially oxidized magnetite phases. X-ray photoelectron spectroscopy (XPS) analysis confirmed the high surface chemical purity of the materials, the presence of trivalent chromium at low concentrations, and the preservation of mixed Fe2+/Fe3+ surface species characteristic of magnetite, while revealing sample-dependent variations in surface oxygen species rather than a systematic increase in surface hydroxylation upon chromium incorporation. The adsorption process was evaluated by analyzing the effects of adsorbent dosage, contact time, and initial MnO4 - concentration, along with kinetic and isotherm modeling. Equilibrium was reached within 100 min, and experimental data were best described by the pseudo-second-order kinetic model and the Langmuir isotherm, indicating monolayer adsorption on a homogeneous surface. These findings demonstrate that Cr-MNPs are a promising adsorbent for MnO4 - removal, offering an efficient and sustainable solution for mitigating manganese contamination in aquatic environments, achieving a removal capacity of up to approximately 41 mg g-1.
This study presents research on optimizing the parameters of the passivation process for precipitation-hardening stainless steels (PHSS) to improve the corrosion resistance of AM350 and CUSTOM 450 alloys, which are extensively utilized in the aerospace and aviation sectors, since, as this is a complex process, it requires the implementation of a robust methodological approach that allows for multi-response optimization. Experiments were designed using the Taguchi method, which offered a strong framework for examining the impact of material, type of passivation solution, concentration, temperature, and passivation process time on the corrosion resistance of both PHSS alloys. To confirm the ideal PHSS passivation process parameters and measure the significance of each component, gray relational analysis (GRA) and analysis of variance (ANOVA) were also employed. The combined use of the Taguchi/GRA represents a robust and efficient methodological approach to the multi-response optimization of complex processes, overcoming the limitations inherent in the individual application of each technique. It was determined that the optimized parameters were a PHSS AM 350, a solution composed of a combination of citric acid and oxalic acid, acid concentration of 25% v/v, temperature of 50 °C, and time of 120 min. This combination of parameters resulted in significant improvements of up to 55% in corrosion resistance in the H2SO4 and NaCl evaluation solutions, demonstrating the effectiveness of the optimized conditions. This work emphasizes the efficacy of integrating Taguchi, GRA, and ANOVA techniques to significantly reduce the corrosion rate of PHSS undergoing the passivation process using alternatives to nitric acid. The integration of the Taguchi methodology with GRA enables the normalization and combination of responses with different scales and performance criteria into a single gray relational index, facilitating the overall evaluation of the system.
Because of decreased air density and altered engine control behaviour, the efficiency of traditional multi-point injection (MPI) spark-ignition engines can degrade at great altitude, therefore increasing CO2 and fuel consumption. Using a pressure regulator and an Arduino-based MAP-signal conditioning module on a Great Wall Wingle 5 tested in Quito, Ecuador (2,850 m a.s.l.), this study assesses a low-cost outside intervention that changes fuel-rail pressure (3.2–5.0 bar). Real-road tests on urban and highway routes were carried out following an SAE J1321-inspired approach, noting fuel economy, torque response, and injection pulse behaviour across pressure levels. Together with shorter injection pulses, raising pressure to 5.0 bar enhanced fuel economy from 7.18 to 13.45 km/l on the urban route (≈ 87.3%) and from 9.19 to 12.89 km/l on the highway route (≈ 40.3%); low-RPM torque, however, showed tiny fluctuations in heavy traffic. The 4.5 bar setting struck a more stable middle ground without sacrificing most of the efficiency advantage. Results should be regarded as case-specific and require validation under regulated circumstances and a bigger fleet before generalisation as the investigation is founded on a single car and limited paths without long-term durability testing or direct tailpipe readings. The online version contains supplementary material available at 10.1038/s41598-026-41765-z.
In this work, a reinvestigation of the Ã2Σ+→X̃2Π electronic transition of the N2O+ molecular ion is performed by high-resolution Fourier transform spectroscopy in the spectral range from 23,000 to 30,000 cm-1. Two different Penning ionization sources were employed, resulting in the recording of two distinct sets of spectra, one at 30 K and the other at approximately 340 K. A comprehensive analysis of 45 bandheads was carried out, including six vibrational bands examined experimentally for the first time. These new bands allowed the determination of spectroscopic constants for the 301, 401 and 110 levels of the ground state X̃2Π, reported here for the first time. Precise wavenumber measurements produced improved molecular constants and band origins, allowing more reliable values to be established for the previously reported constants. This refinement facilitated the derivation of a new set of spin-vibronic term values, which were compared with previous data available in the literature.
Porous scaffolds fabricated via fused deposition modeling (FDM) are promising for bone tissue engineering, but their mechanical performance and geometric fidelity are governed by complex interactions between process parameters and architectural design. This study presents a multi-objective optimization framework for poly (lactic acid) (PLA) scaffolds based on three triply periodic minimal surface (TPMS) topologies-Gyroid, Primitive, and Diamond. A Box-Behnken design combined with response surface methodology was used to model compressive strength, elastic modulus, yield strength, energy absorption density, and discrepancies in volume and porosity as functions of layer thickness (0.05-0.15 mm), extrusion temperature (210-220 °C), and target porosity (50-70%). The resulting quadratic models exhibited strong predictive capability (R2 > 77%, with most >90%) and were validated experimentally at extreme parameter combinations, yielding relative errors below 10% for 83% of measurements. Multi-objective optimization using NSGA-II, coupled with principal component analysis and correlation-based objective reduction, revealed that the six original objectives collapse to topology-specific essential pairs: absorbed energy density and porosity discrepancy for Gyroid; Young's modulus and volume discrepancy for Primitive; and Young's modulus and porosity discrepancy for Diamond. The generated Pareto fronts quantify the inherent trade-off between mechanical performance and geometric fidelity for each topology, providing designers with explicit decision maps. This framework enables rational, application-driven selection of printing parameters and scaffold architecture, advancing the clinical translation of patient-specific FDM-printed bone scaffolds.
Systematic comparisons across theoretical predictions for the properties of dense matter, nuclear physics data, and astrophysical observations (also called meta-analyses) are performed. Existing predictions for symmetric nuclear and neutron matter properties are considered, and they are shown in this paper as an illustration of the present knowledge. Asymmetric matter is constructed assuming the isospin asymmetry quadratic approximation. It is employed to predict the pressure at twice saturation energy-density based only on nuclear-physics constraints, and we find it compatible with the one from the gravitational-wave community. To make our meta-analysis transparent, updated in the future, and to publicly share our results, the Python toolkit nucleardatapy is described and released here. Hence, this paper accompanies nucleardatapy, which simplifies access to nuclear-physics data, including theoretical calculations, experimental measurements, and astrophysical observations. This Python toolkit is designed to easily provide data for: (i) predictions for uniform matter (from microscopic or phenomenological approaches); (ii) correlation among nuclear properties induced by experimental and theoretical constraints; (iii) measurements for finite nuclei (nuclear chart, charge radii, neutron skins or nuclear incompressibilities, etc.) and hypernuclei (single particle energies); and (iv) astrophysical observations. This toolkit provides data in a unified format for easy comparison and provides new meta-analysis tools. It will be continuously developed, and we expect contributions from the community in our endeavor.