Search Results (22,044)

Bacterial blight in rice, caused by Xanthomonas oryzae pv. oryzae (Xoo), poses a serious threat to global rice production. The ability of Xoo to form biofilms is a key factor for its virulence. The OryR protein is a LuxR-type quorum-sensing regulator essential for biofilm formation and Xoo pathogenicity. However, the three-dimensional structure of OryR remains poorly understood. This study integrates homology modeling, molecular dynamics (MD) simulations, and virtual screening to elucidate the structure of OryR and identify potential inhibitors that target its ligand-binding domain. MD simulations confirmed the structural stability of OryR, and comparative analysis with experimentally determined structures of ligand- or inhibitor-bound homologs revealed a binding site in OryR with a distinct hourglass-like shape for long-range contacts. Virtual screening of over 200,000 compounds from four chemical libraries identified several promising inhibitor candidates, with the top compounds showing strong binding energies in both molecular mechanics-generalized Born surface area (−68.3 kcal/mol) and molecular mechanics Poisson–Boltzmann surface area (−19.3 kcal/mol) calculations. Overall, this study provides insights into the OryR structure and highlights potential inhibitors that can be developed as novel agents to control bacterial blight. However, additional experimental validations are required to refine and optimize these leads for drug development. Full article

To avoid dependence on conventional raw materials, global emphasis has been placed on obtaining alternative plant celluloses and the chemical synthesis of cellulose. The use of synthetically derived cellulose as a precursor for cellulose nitrates (NCs) is currently absent in global practice, which underscores the undoubted relevance of this research. Cellulose nitrate (NC) was synthesized in a 138% actual yield by nitration of synthetic cellulose (SC)—a new type of cellulose—prepared by electropolymerization from an aqueous glucose solution in the presence of catalytic tungsten–vanadium heteropolyacid of the 1–12 series with the chemical formula H₆[PW₁₀V₂O₄₀]: a nitrogen content of 11.83%, a viscosity of 198 mPa·s, a high solubility of 91% in an alcohol–ether solvent, and an ash content of 0.05%. SEM provided a general concept of the morphological structure of SC and SC-derived NC. The initial SC consisted of flat, curly fibers with a smooth surface approximately 10–20 μm wide, with no aggregation observed. The fibers of SC-derived NC had a cylindrical shape with a diameter of up to 25 μm and a rough surface. FT-IR spectroscopy revealed that SC and SC-derived NC have the main functional groups characteristic of classical cellulose (3346, 2901, 1644, 1429, 1162, and 1112 cm⁻¹) and nitrate esters of cellulose (1650, 1278, 832, 747, and 689 cm⁻¹), respectively. For the first time, a full-profile analysis discovered that SC is made up of the monoclinic phase of cellulose Iβ with an antiparallel chain arrangement. SC with a crystallinity index (CrI) of 81–86% was shown to undergo amorphization upon nitration, with the CrI declining to 17% and the crystallite sizes decreasing from 44 × 62 × 59 × 94 Å to 29 × 62 × 26 × 38 Å. Coupled TGA/DTA revealed that SC exhibits a high-temperature endothermic peak of decomposition of 374 °C, with a weight loss of 84%. The thermostable SC-derived NC exhibits a high onset temperature of intense decomposition of 200 °C and an exothermic peak of 208 °C, with a weight loss of 88%, and is characterized by a high specific heat of decomposition of 7.74 kJ/g. This study provides new insights into the functionalization of SC with a high degree of polymerization, expanding the classical concepts of cellulose nitration. Full article

This study uses high-frequency monitoring across a river–barrier lake–reservoir continuum in the upper Minjiang River, southwestern China, to quantify the spatiotemporal dynamics and drivers of aquatic CO₂ partial pressure (pCO₂) and to identify the dominant controls under contrasting lotic and lentic conditions. River reaches were CO₂-supersaturated throughout the year, with higher pCO₂ in the wet season (mean 521 ppm) than in the dry season (421 ppm), indicating persistent CO₂ evasion to the atmosphere. In contrast, the downstream canyon-type reservoir showed a pronounced seasonal reversal. During the wet season, surface-water pCO₂ averaged 395 ppm, about 24% lower than that of the river and below atmospheric levels (~419 ppm); more than 55% of observations were undersaturated, with minima as low as 141–185 ppm, indicating temporary CO₂-sink behavior. In the dry season, mean pCO₂ increased to 563 ppm, exceeding both riverine and atmospheric levels and returning the reservoir to a CO₂ source. The reservoir pCO₂ variability was governed by the interaction of hydrology and metabolism: rising water levels and longer residence times likely enhanced CO₂ accumulation from the decomposition of inundated organic matter, while warm temperatures, high light and monsoon-driven nutrient inputs promoted phytoplankton growth that removed dissolved CO₂ and elevated dissolved oxygen, producing temporary sink behavior. In the river, short residence time and strong turbulence limited in-stream biological regulation, and pCO₂ variability was mainly driven by catchment-scale carbon inputs along the elevation gradient. Overall, our results demonstrate that dam construction and impoundment can substantially modify carbon cycling in high-mountain rivers. Under specific conditions (warm water, sufficient nutrients, high algal biomass), lentic environments may strengthen photosynthetic CO₂ uptake and temporarily transform typical riverine CO₂ sources into sinks, with important implications for carbon-budget assessments and reservoir management in mountainous basins. Full article

Immune checkpoint blockade is one of the current treatments for glioblastoma (GBM), which is still a very aggressive and treatment-resistant tumor of the central nervous system. This study focused on the LYZ gene to find new therapeutic targets. We performed a thorough screening of differential gene expressions between GBM and normal samples using many databases (TCGA, GTEx, GEO, and CGGA). Because LYZ is significantly upregulated in GBM tissues and is associated with shorter patient survival periods, we identified it as a gene of interest. LYZ’s position on the exterior side of the plasma membrane and its participation in leukocyte-mediated immunity were identified by functional enrichment analysis, indicating a role in cell surface immune responses. Significant associations between LYZ expression and particular immune cell types were found using immune infiltration analysis, suggesting that LYZ may have an impact on the tumor microenvironment. Within GBM, single-cell research verified LYZ expression in macrophages and monocytes. LYZ was shown to express differently in GBM cell lines than in normal glial cells, according to cellular experimental verification. The LYZ gene’s functional importance in the pathophysiology of GBM was highlighted by the dramatic reduction in cell proliferation, motility, and invasion that resulted from its knockout. These results suggest that LYZ is a viable therapeutic target and possible GBM diagnostic biomarker, which calls for more research into its mechanisms of action and potential clinical use. Full article

This study investigates the deterioration of the thermal and mechanical properties of geopolymer foam concrete (GFC) subjected to accelerated weathering through carbonation, salt fog, and UV radiation. GFC blocks were synthesized using metakaolin as the aluminosilicate precursor, activated with an alkaline solution consisting of 8 M NaOH and sodium silicate (Na₂SiO₃) at a NaOH/Na₂SiO₃ ratio of 0.51 wt.%. A 30% (v/v) H₂O₂ solution served as the foaming agent, and olive oil was used as the surfactant. Accelerated carbonation tests were conducted at 25 ± 3 °C and 40 ± 3 °C, under 60 ± 5% relative humidity and 5% CO₂, with carbonation depth, carbonation percentage, density, porosity, and thermal conductivity evaluated over a 7-day period. In parallel, specimens were exposed to salt fog and UV radiation for 12 weeks in accordance with ASTM B117-19 and ASTM G154-23, respectively. Compressive strength was monitored every week throughout the exposure period. Results show that carbonation temperature governs the type and kinetics of carbonate formation. The carbonation process, at 40 °C for 7 days, increased the density and reduced the porosity of GFC, resulting in a ~48% increase in thermal conductivity. Salt fog exposure led to severe mechanical degradation, with NaCl penetration reducing compressive strength by 69%. In contrast, UV radiation caused only minor deterioration, decreasing compressive strength by up to 7%, likely due to surface-level carbonation. Full article

Monitoring surface water quality is essential for assessing water resources and identifying their quality patterns. Traditional monitoring methods, based on conventional point-sampling stations, are reliable but costly and limited in frequency and spatial coverage. These constraints hinder the ability to evaluate water quality parameters at the temporal and spatial scales required to detect the effects of extreme events on aquatic systems. Satellite imagery offers a viable complementary alternative to enhance the temporal and spatial monitoring scales of traditional assessment methods. However, limitations related to spectral, spatial, temporal, and/or radiometric resolution still pose significant challenges to prediction accuracy. This study aimed to propose a methodology for predicting optically active and inactive water quality parameters in lotic and lentic environments using remote-sensing data and machine-learning techniques. Three remote-sensing datasets were organized and evaluated: (i) data extracted from Sentinel-2 imagery; (ii) data obtained from raw PlanetScope (PS) imagery; and (iii) data from PS imagery normalized using the methodology developed by Dias. Data on water quality parameters were collected from 24 monitoring stations located along the Paraopeba River channel and the Três Marias Reservoir, covering the period from 2016 to 2023. Four machine-learning algorithms were applied to predict water quality parameters: Random Forest, k-Nearest Neighbors, Support Vector Machines with Radial Basis Function Kernel, and Cubist. Model performance was evaluated using four statistical metrics: root-mean-square error, mean absolute error, Lin′s concordance correlation coefficient, and the coefficient of determination. Models based on normalized PS data achieved the best performance in parameter estimation. Additionally, decision-tree-based algorithms showed superior generalization capability, outperforming the other models tested. The proposed methodology proved suitable for this type of analysis, confirming not only the applicability of PS data but also providing relevant insights for its use in diverse environmental-monitoring applications. Full article

Mesh generation is a critical preprocessing step in Computational Fluid Dynamics. In ship hydrodynamics, existing mesh generation methods lack adaptability to complex hull surface geometries, necessitating repeated optimization. To address these issues, a new hybrid mesh generation strategy was proposed, integrating Non-Uniform Rational B-Spline surface interpolation, advancing front technique, hull surface curvature features, and mesh quality evaluation parameters. Firstly, the ship hull surface was partitioned into multiple regions, and each region was assigned a specific mesh type. Subsequently, the adaptively sized mesh was generated based on local curvature variations. Finally, the angle skewness was employed as an objective function to improve the mesh quality. In addition, considering the actual ship model as an example, the mesh generated by our method and conventional Laplacian smoothing method were used to perform first-order potential flow simulations, and the results were compared against the convergence values. The results indicated that our method has lower root mean square errors in computing the total non-viscous force, steady drift force and ship hull free floating Response Amplitude Operator. This method is applicable to numerical simulations of the ship potential flow, providing high-quality hull meshes for hydrodynamic analysis. Full article

This study employed deep eutectic solvents (DES) combined with ultrasonic-assisted extraction technology to green and efficiently extract flavonoids from honeysuckle, and systematically evaluated its inhibitory mechanism on α-amylase (α-AMY). Through comparative screening of six DES systems and traditional solvents, DES-4 (Choline chloride–propylene glycol) was identified as the optimal extraction solvent. After single-factor and response surface optimization, the yield of honeysuckle flavonoids (HF) was significantly increased to 9.12 ± 0.08% under the conditions of ultrasonic power 300 W, solid–liquid ratio 1:32 (g/mL), and extraction time 60 min. HPLC-MS analysis revealed that luteolin (4.59 ± 0.09 mg/g) and quercetin (3.05 ± 0.02 mg/g) were the main active components, and they exhibited strong antioxidant activity. Enzyme kinetics and Lineweaver–Burk analysis indicated that the inhibition type of HF on α-AMY was reversible mixed inhibition. Fluorescence spectroscopy, thermodynamic analysis, and molecular docking results further revealed that HF primarily bound to α-AMY through hydrogen bonds and van der Waals forces (ΔH = −63.80 kJ/mol, ΔS = −0.19 J/mol·K), causing static fluorescence quenching and altering its hydrophobic microenvironment and spatial conformation. This study aims to provide new theoretical basis for the green and efficient extraction of HF and its development and application in functional foods and natural medicines. Full article

Calcium (Ca²⁺) is a signal messenger for ion flow in and out of microbial, parasitic, and host defense cells. Manipulation of calcium ion signaling with ion blockers and calcineurin inhibitors may improve host defense while decreasing microbial/parasitic resistance to therapy. Ca²⁺ release from intracellular storage sites controls many host defense functions (cell integrity, movement, and growth). The transformation of phospholipids in the erythrocyte membrane is associated with changes in deformability. This type of lipid bilayer defense mechanism helps to prevent attack by Plasmodium. Patients with sickle cell disease (SS hemoglobin) do not have this protection and are extremely vulnerable to massive hemolysis from parasitic infestation. Patients with thalassemia major also lack parasite protection. Alteration of Ca²⁺ ion channels responsive to environmental stimuli (transient receptor potential) results in erythrocyte protection from Plasmodium. Similarly, calcineurin inhibitors (cyclosporine) reduce heart and brain inflammation injury with Trypanosoma and Taenia. Ca²⁺ channel blockers interfere with malarial life cycles. Several species of parasites are known to invade hepatocytes: Plasmodium, Echinococcus, Schistosoma, Taenia, and Toxoplasma. Ligand-specific membrane channel constituents (inositol triphosphate and sphingosine phospholipid) constitute membrane surface signal messengers. Plasmodium requires Ca²⁺ for energy to grow and to occupy red blood cells. A cascade of signals proceeds from Ca²⁺ to two proteins: calmodulin and calcineurin. Inhibitors of calmodulin were found to blunt the population growth of Plasmodium. An inhibitor of calcineurin (cyclosporine) was found to retard population growth of both Plasmodium and Schistosoma. Calcineurin also controls sensitivity and resistance to antibiotics. After exposure to cyclosporine, the liver directs Ca²⁺ ions into storage sites in the endoplasmic reticulum and mitochondria. Storage of large amounts of Ca²⁺ would be useful if pathogens began to occupy both red blood cells and liver cells. We present scientific evidence supporting the benefits of calcium channel blockers and calcineurin inhibitors to potentiate current antiparasitic therapies. Full article

One-dimensional (1D) multiferroic composite nanofibers are known to exhibit enhanced magnetoelectric (ME) coupling compared to their thin-film and bulk counterparts with similar compositions. While measuring their local ME coupling at the nanoscale is essential for understanding multiferroic interactions, it remains challenging due to their complex structure. In this work, multiferroic Pb(Zr_0.52Ti_0.48)O₃-CoFe₂O₄ (PZT-CFO) Janus-type nanofibers were synthesized by electrospinning. This unique structure is expected to provide a more compact and continuous interface between the ferroelectric and ferromagnetic phases compared to core–shell configurations. X-ray diffraction confirmed the coexistence of the perovskite PZT and spinel CFO phases without detectable impurities. The Janus configuration was directly verified by scanning electron microscopy and Kelvin probe force microscopy, which revealed a distinct surface potential contrast between the two halves of a single nanofiber. Magnetic hysteresis loops demonstrated the macroscopic ferromagnetic behavior of the nanofiber assembly. Local magnetoelectric coupling was probed using piezoresponse force microscopy under an applied magnetic field. An enhancement of the intrinsic piezoresponse from 15 pm to 19 pm. was observed upon applying an 8000 Oe magnetic field, providing direct evidence of strain-mediated ME coupling at the nanoscale. Although no ferroelectric domain switching was observed, likely due to the substrate clamping effect, the observed piezoresponse modulation confirms the functional ME interaction. These findings suggest that the Janus nanofibers hold promise for applications in one-dimensional multiferroic devices. Full article

An Ultrasonic Test (UT), a type of non-destructive test, is used to inspect the manufacturing integrity of carbon spar-caps of wind blades. When performing a UT, an intermediate medium is used to improve the signal detection ability between the inspection target and the probe. However, if the intermediate-medium residue is not removed, it acts as a contaminant in the interface between the spar-cap and the blade skin. This has a negative effect on the adhesion characteristics. A quantitative method is required for removing the intermediate medium and peel ply after the UT. After the UT, the interfacial characteristics of the spar-cap surface are examined according to the method of removing the intermediate medium in this study. The static contact angle and the work of adhesion (W_a) were measured according to various surface treatment conditions. In addition, shear strength of the Carbon Fiber-Reinforced Plastic (CFRP) spar-cap was evaluated by the lap shear test. An optimized method of peel-ply removal combined with an intermediate medium was found in this study. An optimal guideline for intermediate-medium treatment could be proposed when evaluating the manufacturing integrity of real wind blade spar-caps using UT. Full article

Rock art in the Albarracín Cultural Park represents one of Spain’s most significant concentrations of post-Paleolithic paintings, yet comprehensive chemical characterization across multiple shelters remained lacking. This study analyzes 102 pigment samples (54 white, 31 black, 17 red) from 12 shelters using portable X-ray fluorescence spectroscopy. Centered log-ratio transformation addressed compositional data constraints, enabling multivariate analyses (PCA, LDA, MANOVA) that properly account for the constant-sum constraint inherent in geochemical data. Linear discriminant analysis achieved 92.6%–100% classification accuracy for site attribution, with barium emerging as the universal discriminating element across all pigment types (Cohen’s d = 4.91–9.19). Iron concentrations confirmed hematite/goethite use in red pigments, with inter-shelter variations suggesting different ochre sources. Black pigments revealed dual technologies: manganese oxides (pyrolusite) and carbon-based materials, with phosphorus enrichment in some samples consistent with possible bone-derived materials, though alternative phosphorus sources cannot be definitively excluded. This technological duality occurred within individual shelters, documenting greater complexity than previously recognized. White pigments combined substrate-derived materials with gypsum and aluminosilicate clay minerals (likely of the kaolinite group), occasionally incorporating phosphate-rich phases. The documented coexistence of compositionally distinct pigments within single shelters (whether from different raw material sources or varied preparation techniques) confirms the technical heterogeneity of Albarracín rock art and challenges assumptions about technological homogeneity in Levantine art production. This interplay between natural geological constraints and cultural technological choices underscores the need for complementary surface-sensitive techniques to fully resolve the technological repertoire of Levantine artists. Full article

The expansion force generated by lithium-ion batteries during charge–discharge cycles is a key indicator of their structural safety and health. Recently, flexible pressure-sensing technologies have emerged as promising solutions for in situ swelling monitoring, owing to their high flexibility, sensitivity and integration capability. This review provides a systematic summary of progress in this field. Firstly, we discuss the mechanisms of battery swelling and the principles of conventional measurement methods. It then compares their accuracy, dynamic response and environmental adaptability. Subsequently, the main flexible pressure-sensing mechanisms are categorized, including piezoresistive, capacitive, piezoelectric and triboelectric types, and their material designs, structural configurations and sensing behaviors are discussed. Building on this, we examine integration strategies for flexible pressure sensors in battery systems. It covers surface-mounted and embedded approaches at the cell level, as well as array-based and distributed schemes at the module level. A comparative analysis highlights the differences in installation constraints and monitoring capabilities between these approaches. Additionally, this section also summarizes the characteristics of swelling signals and recent advances in data processing techniques, including AI-assisted feature extraction, fault detection and health state correlation. Despite their promise, challenges such as long-term material stability and signal interference remain. Future research is expected to focus on high-performance sensing materials, multimodal sensing fusion and intelligent data processing, with the aim of further advancing the integration of flexible sensing technologies into battery management systems and enhancing early warning and safety protection capabilities. Full article

Optimizing window insulation is crucial for reducing heat loss and energy use in industrial buildings in Northeast China’s severe cold regions. Based on six typical building prototypes identified via cluster analysis of field survey data, this study used DesignBuilder (Version 6.1.0.006) to simulate the influence of key parameters for insulation materials (type, thickness, emissivity) and installation methods (position, air cavity, operation). Simulations reveal that the energy-saving potential is inversely proportional to a building’s existing thermal performance, reaching a maximum of 10.3%. Regarding material selection, results indicate that reducing surface emissivity from 0.92 to 0.05 effectively substitutes for approximately 20 mm of physical insulation thickness. Transparent films prioritize daytime comfort, raising nighttime temperatures by 1.5 °C, whereas opaque panels excel at nighttime insulation with a 2.28 °C increase. Techno-economic analysis identifies low-emissivity foil combined with EPS or XPS as the most cost-effective strategy, achieving rapid payback periods of 0.6–3.2 years. Regarding installation, an external configuration with a 20 mm air cavity and vertical operation was identified as optimal, yielding 1.5–2.0% greater energy savings than an internal setup. This study provides tailored retrofitting strategies for industrial building windows in these regions. Full article

The modern coinage industry ensures dimensional and weight precision, as well as improved surface quality, for its products. The speed of coin mass production requires increased performance for used machines and tools. Despite these, error incidence cannot be excluded. Some of these errors are recorded inside the punching machine and generate clipped blank disks; on their turn, those malformed disks lead to the clipped coins. In the first part, the paper presents the premises underlying the appearance of clipped blanks. There are some exemplified coins having different types of clips: curved, straight, and ragged. The literature review in the coinage field covers the following subjects: coin and die behavior under the striking load, viewpoints on 3D modeling, and finite element method (FEM) analysis, insights on various striking errors, with most of them more or less valued as collection metal pieces. The paper’s main purpose is outlined as follows: to study, using the available modern techniques, the particularities of different clipped coin types. In the second part of the paper, we introduced the adequate tridimensional (3D) model, for parts such as the die, collar, and the coin. It follows the assembled model corresponding to each studied case, which consists of the obverse and reverse striking dies and the collar, having inside them the coin. For each of the models, based on the initial conditions, the finite element analysis was performed. The paper’s last part presents the analysis’ results, the discussions, and the conclusions. Full article