Search Results (1,511)

The rapid growth of electric vehicles (EVs) and new energy systems has put lithium-ion batteries at the center of the clean energy change. Nevertheless, to achieve the best battery performance, safety, and sustainability in many changing circumstances, major innovations are needed in Battery Management Systems (BMS). This review paper explores how artificial intelligence (AI) and digital twin (DT) technologies can be integrated to enable the intelligent BMS of the future. It investigates how powerful data approaches such as deep learning, ensembles, and models that rely on physics improve the accuracy of predicting state of charge (SOC), state of health (SOH), and remaining useful life (RUL). Additionally, the paper reviews progress in AI features for cooling, fast charging, fault detection, and intelligible AI models. Working together, cloud and edge computing technology with DTs means better diagnostics, predictive support, and improved management for any use of EVs, stored energy, and recycling. The review underlines recent successes in AI-driven material research, renewable battery production, and plans for used systems, along with new problems in cybersecurity, combining data and mass rollout. We spotlight important research themes, existing problems, and future drawbacks following careful analysis of different up-to-date approaches and systems. Uniting physical modeling with AI-based analytics on cloud-edge-DT platforms supports the development of tough, intelligent, and ecologically responsible batteries that line up with future mobility and wider use of renewable energy. Full article

This work presents a semi-classical, quantum-corrected model of gravitational collapse for a charged, spherically symmetric dust cloud, extending the classical Oppenheimer–Snyder (OS) framework through loop quantum gravity effects. Our goal is to study phenomenological quantum modifications to geometry, without necessarily embedding them within full loop quantum gravity (LQG). Building upon the quantum Oppenheimer–Snyder (qOS) model, which replaces the classical singularity with a nonsingular bounce via a modified Friedmann equation, we introduce electric and magnetic charges concentrated on a massive thin shell at the boundary of the dust ball. The resulting exterior spacetime generalizes the Schwarzschild solution to a charged, regular black hole geometry akin to a quantum-corrected Reissner–Nordström metric. The Israel junction conditions are applied to match the interior APS (Ashtekar–Pawlowski–Singh) cosmological solution to the charged exterior, yielding constraints on the shell’s mass, pressure, and energy. Stability conditions are derived, including a minimum radius preventing full collapse and ensuring positivity of energy density. This study also examines the geodesic structure around the black hole, focusing on null circular orbits and effective potentials, with implications for the observational signatures of such quantum-corrected compact objects. Full article

Protein–polyelectrolyte nanostructures assembled via electrostatic interactions offer versatile applications in biomedicine, tissue engineering, and food science. However, several open questions remain regarding their intermolecular interactions and the influence of external conditions—such as temperature and pH—on their assembly, stability, and responsiveness. This study explores the formation and stability of networks between poly(acrylic acid) (PAA) and lysozyme (LYZ) at the nanoscale upon thermal treatment, using a combination of experimental and simulation measures. Experimental techniques of static and dynamic light scattering (SLS and DLS), Fourier transform infrared spectroscopy (FTIR), and circular dichroism (CD) are combined with all-atom molecular dynamics simulations. Model systems consisting of multiple PAA and LYZ molecules explore collective assembly and complexation in aqueous solution. Experimental results indicate that electrostatic complexation occurs between PAA and LYZ at pH values below LYZ’s isoelectric point. This leads to the formation of nanoparticles (NPs) with radii ranging from 100 to 200 nm, most pronounced at a PAA/LYZ mass ratio of 0.1. These complexes disassemble at pH 12, where both LYZ and PAA are negatively charged. However, when complexes are thermally treated (TT), they remain stable, which is consistent with earlier findings. Atomistic simulations demonstrate that thermal treatment induces partially reversible structural changes, revealing key microscopic features involved in the stabilization of the formed network. Although electrostatic interactions dominate under all pH and temperature conditions, thermally induced conformational changes reorganize the binding pattern, resulting in an increased number of contacts between LYZ and PAA upon thermal treatment. The altered hydration associated with conformational rearrangements emerges as a key contributor to the stability of the thermally treated complexes, particularly under conditions of strong electrostatic repulsion at pH 12. Moreover, enhanced polymer chain associations within the network are observed, which play a crucial role in complex stabilization. These insights contribute to the rational design of protein–polyelectrolyte materials, revealing the origins of association under thermally induced structural rearrangements. Full article

This work presents the synthesis, characterization and evaluation of physicochemical and biological properties of two new aminoporphyrazine derivatives bearing magnesium(II) cations in their cores and peripheral pyrrolyl groups. The synthesis was carried out in several stages, using classical methods and the Microwave-Assisted Organic Synthesis (MAOS) approach. The obtained compounds were characterized using spectral techniques: UV-Vis spectrophotometry, mass spectrometry, ¹H and ¹³C NMR spectroscopy. The porphyrazine derivatives were tested for their electrochemical properties (CV and DPV), which revealed four redox processes, of which in compound 7 positive shifts of oxidation potentials were observed, resulting from the presence of free phenolic hydroxyl groups. In spectroelectrochemical measurements, changes in UV-Vis spectra associated with the formation of positive-charged states were noted. Photophysical studies revealed the presence of characteristic absorption Q and Soret bands, low fluorescence quantum yields and small Stokes shifts. The efficiency of singlet oxygen generation (Φ_Δ) was higher for compound 6 (up to 0.06), but compound 7, despite its lower efficiency (0.02), was distinguished by a better biological activity profile. Toxicity tests using the Aliivibrio fischeri bacteria indicated the lower toxicity of 7 compared to 6. The most promising result was the strong photodynamic activity of porphyrazine 7 against the Methicillin-resistant Stapylococcus aureus (MRSA) strain, leading to a more-than-5.6-log decrease in viable counts after the colony forming units (CFU) after light irradiation. Compound 6 did not show any significant antibacterial activity. The obtained data indicate that porphyrazine 7 is a promising candidate for applications in photodynamic therapy of bacterial infections. Full article

Blasting is one of the most widely used and cost-effective techniques for rock excavation and fragmentation in open-pit mining, particularly for large-scale operations. However, repeated or poorly controlled blasting can generate excessive ground vibrations that threaten slope stability by causing structural damage, fracturing of the rock mass, and potential failure. Evaluating the effects of blast-induced vibrations is essential to ensure safe and sustainable mining operations. This study investigates the impact of blasting-induced vibrations on slope stability at the Saindak Copper-Gold Open-Pit Mine in Pakistan. A comprehensive dataset was compiled, including field-monitored ground vibration measurements—specifically peak particle velocity (PPV) and key blast design parameters such as spacing (S), burden (B), stemming length (SL), maximum charge per delay (MCPD), and distance from the blast point (D). Geomechanical properties of slope-forming rock units were validated through laboratory testing. Slope stability was analyzed using pseudo-static limit equilibrium methods (LEMs) based on the Mohr–Coulomb failure criterion, employing four approaches: Fellenius, Janbu, Bishop, and Spencer. Pearson and Spearman correlation analyses quantified the influence of blasting parameters on slope behavior, and sensitivity analysis determined the cumulative distribution of slope failure and dynamic response under increasing seismic loads. FoS values were calculated for both east and west pit slopes under static and dynamic conditions. Among all methods, Spencer consistently yielded the highest FoS values. Under static conditions, FoS was 1.502 for the east slope and 1.254 for the west. Under dynamic loading, FoS declined to 1.308 and 1.102, reductions of 12.9% and 11.3%, respectively, as calculated using the Spencer method. The east slope exhibited greater stability due to its gentler angle. Correlation analysis revealed that burden had a significant negative impact (r = −0.81) on stability. Sensitivity analysis showed that stability deteriorates notably when PPV exceeds 10.9 mm/s. Although daily blasting did not critically compromise stability, the west slope showed greater vulnerability, underscoring the need for stricter control of blasting energy to mitigate vibration-induced instability and promote long-term operational sustainability. Full article

In recent years, packed-bed systems have emerged as an attractive design for thermal energy storage systems due to their high thermal efficiency and economic feasibility. As integral components of numerous large-scale applications systems, packed-bed thermal energy stores can be successfully paired with renewable energy and waste heat to improve energy efficiency. An analysis of the thermal performances of two packed beds (hot and cold) during six-hour charging and discharging cycles has been conducted in this paper using COMSOL Multiphysics software, utilizing the optimal design parameters that have been determined in previous studies, including porosity (0.2), particle diameters (4 mm) for porous media, air as a heat transfer fluid, magnesia as a storage medium, mass flow rate (13.7 kg/s), and aspect ratio (1). The performance has been evaluated during both the charging and discharging cycles, in terms of the system’s capacity factor, the energy stored, and the thermal power, in order to understand the system’s performance and draw operational recommendations. Based on the results, operating the hot/cold storage in the range of 20–80% of the full charge was found to be a suitable range for the packed-bed system, ensuring that the charging/discharging power remains within 80% of the maximum. Full article

The oxygen blast furnace (OBF) process presents a promising low-carbon pathway for the smelting of vanadium–titanium magnetite (VTM). This study develops an innovative mathematical model based on mass and heat balance principles, specifically tailored to the OBF smelting of VTM. The model systematically investigates the effects of key parameters—including pulverized coal injection ratio, recycling gas volume, hydrogen content in the recycling gas, and charge composition—on furnace productivity, hearth activity, and the tuyere raceway zone. The results show that increasing the pulverized coal injection ratio slightly reduces productivity and theoretical flame temperature: for every 25 kg/tHM increase in the coal ratio, the theoretical flame temperature decreases by 21.95 °C; moreover, indirect reduction is enhanced and the heat distribution within the furnace is significantly improved. A higher recycling gas volume markedly increases productivity and optimizes hearth thermal conditions, accompanied by enhanced blast kinetic energy and an expanded tuyere raceway zone, albeit with a notable drop in combustion temperature. Increased hydrogen content in the recycling gas promotes productivity, but may weaken blast kinetic energy and reduce the stability of the raceway zone. Furthermore, a higher titanium content in the charge increases the difficulty of iron oxide reduction, resulting in lower CO utilization and reduced productivity. Full article

In this investigation, a hierarchical FeCo-layered double hydroxide (FeCo-LDH) electrochemical membrane material was prepared by a simple in situ hydrothermal method. The prepared material formed a 3D honeycomb-structured FeCo-LDH-modified carbon felt (FeCo-LDH/CF) catalytic layer with uniform open pores on a CF substrate with excellent catalytic activity and was served as the cathode in a flow-through electro-Fenton (FTEF) reactor. The electrocatalyst demonstrated excellent treatment performance (99%) in phenol simulated wastewater (30 mg L⁻¹) under the optimized operating conditions (applied voltage = 3.5 V, pH = 6, influent flow rate = 15 mL min⁻¹) of the FTEF system. The high removal rate could be attributed to (i) the excellent electrocatalytic oxidation performance and low interfacial charge transfer resistance of the FeCo-LDH/CF electrode as the cathode, (ii) the ability of the synthesized FeCo-LDH to effectively promote the conversion of H₂O₂ to •OH under certain conditions, and (iii) the flow-through system improving the mass transfer efficiency. In addition, the degradation process of pollutants within the FTEF system was additionally illustrated by the •OH dominant ROS pathway based on free radical burst experiments and electron paramagnetic resonance tests. This study may provide new insights to explore reaction mechanisms in FTEF systems. Full article

This paper presents the results of laboratory tests on the intensity of mass and heat exchange in a polytunnel, with a focus on the synergy between the polytunnel and a stone accumulator. The subject of study was a standard polytunnel made of double polythene sheathing. In the process of selecting the appropriate working conditions for such a polytunnel, the characteristic operating parameters were modeled and verified. They were related to the process of mass and energy exchange, which takes place in regular controlled-environment agriculture (CEA). Then, experimental tests of a heat accumulator on a fixed stone bed were carried out. The experiments were carried out for various accumulator surfaces ranging from 18.7 m² to 74.8 m², which was measured perpendicularly to the heat medium. To standardize the results obtained, the analysis included the unit area of the accumulator and the unit time of the experiment. In this way, 835 heat and mass exchange events were analyzed, including 437 accumulator charging processes and 398 discharging processes from April to October, which is a standard period of polytunnel use in the Polish climate. During the tests, internal and external parameters of the process were recorded, such as temperature, relative humidity, solar radiation, wind speed and air flow speed in the accumulator system. Based on the parameters, a set of empirical relationships was developed using mathematical modeling. This provided the foundation for calculating heat gains as a result of its storage in a stone accumulator and its discharging process. The research results, including the developed dependencies, not only fill the scientific gap in the field of heat storage, but can also be used in engineering design of polytunnels supported by a heat storage system on a stone bed. In addition, the proposed methodology can be used in the study of other heat accumulators, not only in plant production facilities. Full article

Monoterpene indole alkaloids (MIAs) exhibit diverse structures and pharmacological effects. Annotating MIAs in herbal medicines remains challenging when using liquid chromatography combined with high-resolution mass spectrometry (LC-HRMS). This study introduced a new annotation strategy employing LC-HRMS to efficiently identify MIAs in herbal medicines. Briefly, MS² spectra under multiple collision energies (MCEs/MS²) helped capture high-quality product ions across a range of mass-to-charge (m/z) values, revealing key MS² features such as diagnostic product ions (DPIs), characteristic cleavages (CCs), and neutral/radical losses (NLs/RLs). Next, feature-based molecular networking (FBMN) was created to map the structural relationships among MIAs across large MS datasets. Potential MIAs were then graded and annotated through systematic comparison with known biosynthetic pathways (BPs), derived skeletons, and their characteristic substituents. The MCEs/MS²-FBMN/BPs workflow was first applied to annotate MIAs in the alkaloids from the leaf of Alstonia scholaris (ALAS), a new botanical drug for respiratory diseases. A total of 229 MIAs were systematically annotated and classified, forming a solid basis for future clinical research on ALAS. This study offers an effective strategy that enhances the structural annotation of MIAs within complex herbal medicines. Full article

Researchers have tended to blend isopropanol (IPA) with other fuels in diesel engines to reduce emissions and improve performance. However, low-reactivity controlled compression ignition via port injection at a low cetane number results in a well-mixed charge of low-reactivity fuel, air, and recirculated exhaust gas (EGR). This study’s novel approach combines critical elements, such as the mass fraction of port-injected IPA, EGR ratio, and charge temperature, to improve combustion characteristics and lessen emissions from a diesel engine. The results demonstrated that the injection of IPA and the installation of EGR at the inlet reduced NO_x, smoke, and PM_2.5. On the contrary, HC and CO increased with the port-injection of IPA and EGR. Preheating air at the inlet can suppress the emissions of HC and CO. Under 1500 rpm and 60% load, when compared to diesel at the same EGR ratio and charge temperature, the maximum smoke decrease rate (26%) and PM_2.5 decrease rate (21%) occur at 35% IPA, 45 °C, and 10% EGR, while the maximum NO_x decrease rate (24%) occurs at 35% IPA, 60 °C, and 20% EGR. These findings support the novelty of the research. Conversely, it modestly increased CO and HC emissions. However, port-injecting IPA increased thermal efficiency by up to 24% at 60 °C, 1500 rpm, and 60% load with EGR. Full article

The development of metallic coatings as Ni-Co alloys, with particular emphasis on their homogeneity, processability, and sustainability, is of the utmost significance. To address these challenges, the utilization of phenylsalicylimines (PSIs) as additives within deep eutectic solvents (DES) was investigated, assessing their influence on the electrodeposition process of these metals at an intermediate temperature of 60 °C, while circumventing aqueous reaction conditions. The findings demonstrated that the incorporation of PSIs markedly enhances coating uniformity, resulting in an optimal cobalt content of 37% and an average thickness of 24 µm. Electrochemical evaluations revealed improvements in charge and mass transfer, thereby optimizing process efficiency. Moreover, computational studies confirmed that PSIs form stable complexes with Co (II), modulating the electrochemical characteristics of the system through the introduction of the diethylamino electron-donating group, which significantly stabilizes the coordinated forms with both components of the DES. Additionally, the coatings displayed exceptional corrosion resistance, with a rate of 0.781 µm per year, and achieved an optimal hardness of 38 N HRC, conforming to ASTM B994 standards. This research contributes to the development of electroplating bath designs for metallic coating deposition and lays the groundwork for the advancement of sophisticated technologies in functional coatings that augment corrosion resistance and mechanical properties. Full article

In this study, 3-chlorothiophene-2-carboxylic acid (HL) was used as a main ligand to successfully synthesize four novel complexes: [Cu(L)₂(Py)₂(OH₂)₂] (1), [Co(L)₂(Py)₂(OH₂)₂] (2) (Py = pyridine), [{Ni(L)₂(OH₂)₄}₂{Ni(L)(OH₂)₅}]L•5H₂O (3), and [{Co(L)₂(OH₂)₄}₂{Co(L)(OH₂)₅}]L•5H₂O (4). All four compounds were identified by elemental analysis and ESI mass spectrometry, and subsequently characterized by IR spectroscopy, UV-visible diffuse reflectance spectroscopy, electron paramagnetic resonance spectroscopy, thermogravimetric analysis, single-crystal X-ray crystallography, and cyclic voltammetry. X-ray analyses revealed that complexes 1 and 2 exhibit a centrosymmetric pseudo-octahedral coordination geometry; the copper (II) and cobalt (II) metal ions, respectively, are located at the crystallographic center of inversion. The coordination sphere of the copper (II) complex is axially elongated in accordance with the Jahn–Teller effect. Intriguingly, for charge neutrality, compounds 3 and 4 crystallized as three independent mononuclear octahedrally coordinated metal centers, which are two $\left[\mathrm{M}{\mathrm{L}}_2{\left({\mathrm{O}\mathrm{H}}_2\right)}_4\right]$ complex molecules and one ${\left[\mathrm{M}\mathrm{L}{\left({\mathrm{O}\mathrm{H}}_2\right)}_5\right]}^{+}$ complex cation (M = ${\mathrm{N}\mathrm{i}}^{\mathrm{I}\mathrm{I}}$ and ${\mathrm{C}\mathrm{o}}^{\mathrm{I}\mathrm{I}}$, respectively), with the ligand anion ${\mathrm{L}}^{-}$ serving as the counter ion. The anticancer activities of these complexes were systematically assessed on human leukemia K562 cells, lung cancer A549 cells, liver cancer HepG2 cells, breast cancer MDA-MB-231 cells, and colon cancer SW480 cells. Among them, complex 4 shows significant inhibitory effects on leukemia K562 cells and colon cancer SW480 cells. Full article

The discovery of proteomic biomarkers in cancer research can be effectively performed in situ by exploiting Matrix-Assisted Laser Desorption Ionization (MALDI) Mass Spectrometry Imaging (MSI). However, due to experimental limitations, the spectra extracted by MALDI-MSI can be noisy, so pre-processing steps are generally needed to reduce the instrumental and analytical variability. Thus far, the importance and the effect of standard pre-processing methods, as well as their combinations and parameter settings, have not been extensively investigated in proteomics applications. In this work, we present a systematic study of 15 combinations of pre-processing steps—including baseline, smoothing, normalization, and peak alignment—for a real-data classification task on MALDI-MSI data measured from fine-needle aspirates biopsies of thyroid nodules. The influence of each combination was assessed by analyzing the feature extraction, pixel-by-pixel classification probabilities, and LASSO classification performance. Our results highlight the necessity of fine-tuning a pre-processing pipeline, especially for the reliable transfer of molecular diagnostic signatures in clinical practice. We outline some recommendations on the selection of pre-processing steps, together with filter levels and alignment methods, according to the mass-to-charge range and heterogeneity of data. Full article

In this study, we systematically investigated the characteristic parameter evolution laws of thermal runaway with respect to 18,650 lithium-ion batteries (LIBs) under thermal abuse conditions at five state-of-charge (SOC) levels: 0%, 25%, 50%, 75%, and 100%. In our experiments, we combined infrared thermography, mass loss analysis, temperature monitoring, and gas composition detection to reveal the mechanisms by which SOC affects the trigger time, critical temperature, maximum temperature, mass loss, and gas release characteristics of thermal runaway. The results showed that as the SOC increases, the critical and maximum temperatures of thermal runaway increase notably. At a 100% SOC, the highest temperature on the positive electrode side reached 1082.1 °C, and the mass loss increased from 6.90 g at 0% SOC to 25.75 g at 100% SOC, demonstrating a salient positive correlation. Gas analysis indicated that under high-SOC conditions (75% and 100%), the proportion of flammable gases such as CO and CH₄ produced during thermal runaway significantly increases, with the CO/CO₂ ratio exceeding 1, indicating intensified incomplete combustion and a significant increase in fire risk. In addition, flammability limit analysis revealed that the lower explosive limit for gases is lower (17–21%) at a low SOC (0%) and a high SOC (100%), indicating greater explosion risks. We also found that the composition of gases released during thermal runaway varies substantially at different SOC levels, with CO, CO₂, and CH₄ accounting for over 90% of the total gas volume, while toxic gases, such as HF, although present in smaller proportions, pose noteworthy hazards. Unlike prior studies that relied on post hoc analysis, this work integrates real-time multi-parameter monitoring (temperature, gas composition, and mass loss) and quantitative explosion risk modeling (flammability limits via the L-C formula). This approach reveals the unique dynamic SOC-dependent mechanisms of thermal runaway initiation and gas hazards. This study provides theoretical support for the source tracing of thermal runaway fires and the development of preventive LIB safety technology and emphasizes the critical influence of the charge state on the thermal safety of batteries. Full article