Search Results (10,561)

There is a close relationship between vegetation distribution and climate pattern in grassland areas, and offering insights into the climate–vegetation relationship may provide significant references for in-depth research on the response of plant community dynamics to climate change. In this study, we took the edge of the Jiangjiadian grassland in China as the research area. Using plant plots and climate data, the climate–vegetation relationship was revealed in relation to climate change on the grassland edge. The research results show that the relative frequency (RF), density (RD), height (RH), and coverage (RC) of Phragmites australis, a typical wetland plant, are the highest among the 10 common species tested. The path coefficient of mean temperature in October (MMTO) to the RD is 0.06 (p < 0.01), and the path coefficient of precipitation in October (POct) to the relative height (RH) is 0.62 (p < 0.05), indicating that the spatial pattern of climate has a significant impact on plant distribution. The temperature and the precipitation increases are associated with the trend regarding the transformation from grassland to wetland. Overall, 34 of the 360 correlation coefficients between climate indices and plant indices reached a significant level (p < 0.05), indicating that the relationship between wetland trends and the climate spatial pattern is very complex in relation to climate change in the past 25 years. Full article

Background/Objective: The present study reports the design, synthesis, and biological evaluation of novel imidazo-triazole derivatives as potential antidiabetic agents. Methods: The novel series was synthesized by treating amino-triazole bearing carboxylic acid with substituted 2-bromo acetophenone and was biologically compared with acarbose under in vitro analysis. Results: Structure–activity relationship (SAR) analysis revealed that among these compounds, remarkable activity was shown by compound 5 (having three hydroxyl substituents) with IC₅₀ value of 6.80 ± 0.10 and 7.10 ± 0.20 µM for α-amylase and α-glucosidase in comparison to reference drug acarbose. To support experimental findings, computational investigations including molecular docking, pharmacophore modeling, molecular dynamics simulations, density functional theory (DFT), and absorption distribution metabolism excretion and toxicity (ADMET) profiling were employed. These studies confirmed the stability of ligand–protein interactions and provided insights into electronic and reactivity features governing enzyme inhibition. Conclusions: Collectively, the integration of in vitro and in silico approaches underscores the potential of novel imidazo-triazole scaffolds as promising leads for the development of safer and more effective therapeutics against diabetes mellitus. Full article

Electricity prices are subject to constant changes, mainly owing to the increasing share of unstable renewable energy sources. The ability to predict short-term prices presents significant benefits to both energy consumers and producers. This is crucial for managing the energy in hybrid systems with energy storage. This study presents a methodology for predicting the electricity prices for three days with hourly resolution. The accuracy of the price prediction strongly depends on the stability and repeatability of the analysed energy market. The Polish market, characterised by a dynamically changing energy mix, where the selection of the training period and the training, validation, and test sets are crucial, is assessed. Two periods are analysed: 2019–2021, which is a period of stable prices, and 2022–2024, which is a period of high price variability. The multilayer perceptron (MLP) network and support vector machine (SVM) are trained using three sets of data: time, weather, and prices of various energy sources. The analysis indicates the correlation of data and their impact on the accuracy of the price forecast. Dedicated data processing, network model structures, and training techniques are used. The comparison between prediction accuracies shows the advantages of the SVM network, whose prediction error is lower by 45% for the period of stable prices and by 20% for the period of variable prices when compared with the MLP network. The results indicate a significant increase in accuracy when various types of training data, such as weather or energy prices, are considered. Full article

Against the backdrop of urban–rural integrated development, special ecological function zones, as spatial carriers with significant regional ecological value and rural development functions, are confronted with a striking conflict between ecological conservation and regional advancement. This contradiction is comprehensively reflected in the interactions among land use functions (LUFs) that differ in nature and intensity. Therefore, exploring the trade-off and synergy (TOS) among regional LUFs is not only of great significance for optimizing territorial spatial patterns and advancing rural revitalization but also provides scientific evidence for the differentiated administration of regional land use. Taking 185 townships in the Funiu Mountain area of China as research units, this study constructs a land use assessment system based on the ‘Production–Living–Ecological’ (PLE) framework, utilizing multi-source datasets from 2000 to 2020. Spearman correlation analysis, geographically weighted regression (GWR), and bivariate local spatial autocorrelation methods are employed to examine the spatio-temporal dynamics of LUFs and the spatial non-stationarity of their TOSs. The findings indicate that, throughout the research period, the production function (PF) displayed a fluctuating declining trend, whereas the living function (LF) and ecological function (EF) demonstrated a fluctuating increasing trend. Notably, EF held an absolute dominant position in the overall structure of LUFs. This is highly consistent with the region’s positioning as a special ecological function zone and also a direct reflection of the effectiveness of continuous ecological construction over the past two decades. Spatially, PF is stronger in southern, eastern, and northern low-altitude townships, correlating with higher levels of economic development; LF is concentrated around townships near county centers; and high EF values are clustered in the central and western areas, showing an opposite spatial pattern to PF and LF. A synergistic relationship is observed between PF and LF, while both PF and LF exhibit trade-offs with EF. The TOSs between different function changes demonstrate significant spatial non-stationarity: linear synergy was the primary type for PF-LF, PF-EF, and LF-EF combinations, but each combination exhibited unique spatial characteristics in terms of non-stationarity. Notably, towns identified as having different types of trade-off relationships in the study of spatial non-stationarity are key areas for township spatial governance and optimization. Through the allocation of regional resources and targeted policy tools, the functional relationships can be adjusted and optimized to attain sustainable land use. Full article

The Long Interspersed Element-1 (L1) retrotransposon is an ancient genetic parasite that comprises a significant part of the human genome. ORF2p is a multifunctional enzyme with endonuclease (EN) and reverse transcriptase (RT) activities that mediate target-primed reverse transcription of RNA into DNA. Structural studies of LINE-1 ORF2p consistently show a single Mg²⁺ cation in the reverse transcriptase active site, conflicting with the common DNA polymerase mechanism which involves two divalent cations. We explored a reaction pathway of the DNA elongation based on the recent high-resolution ternary complex structure of the ORF2p. The combined quantum and molecular mechanics approach at the QM (PBE0-D3/6-31G**)/MM (CHARMM) level is employed for biased umbrella sampling molecular dynamics simulations followed by umbrella integration utilized to obtain the free energy profile. The nucleotidyl transfer reaction proceeds in a single step with a free energy barrier of 15.1 ± 0.8 kcal/mol, and 7.8 ± 1.2 kcal/mol product stabilization relative to reagents. Concerted nucleophilic attack by DNA O3′ and proton transfer to Asp703 occur without a second catalytic metal ion. Estimated rate constant ∼60 s⁻¹ aligns with RT kinetics, while analysis of the Laplacian of the electron density along the cleaving P-O bond identifies a dissociative mechanism. Full article

In the Colombian Amazon, green businesses have emerged as key strategies for sustainable development, yet they face critical challenges such as low organizational capacity, limited innovation, weak institutional coordination, and regional inequalities. This study analyzed the interaction between dynamic capabilities, sustainability, and innovation in 120 green businesses across the departments of Putumayo, Caquetá, and Amazonas, using 111 variables grouped into three dimensions, sustainable development, dynamic capabilities, and innovative performance. The analysis identified three business types: (1) Businesses with Potential, characterized by high levels of innovation, learning, and absorptive capacity; (2) Developing Businesses, with strengths in social, economic, and human capital but limited environmental sustainability; and (3) Limited Businesses, which lag in all three dimensions. Putumayo had the highest proportion of potential businesses, supported by strong institutional coordination through CORPOAMAZONIA; Caquetá stood out in financial inclusion and human capital, while Amazonas faced more structural limitations. The novelty of this research lies in integrating three conceptual frameworks into a territorialized analysis, enabling a deeper understanding of how these dimensions interact across diverse Amazonian contexts. Its main contribution is a functional typology of green businesses, which offers a basis for tailored policy recommendations aimed at enhancing capacities and fostering more resilient and sustainable enterprises. Full article

The 2022 global mpox outbreak highlighted the risk of sustained human-to-human transmission of monkeypox virus (MPXV) in non-endemic regions, yet genomic surveillance in Asia, particularly in China, remains limited. This study conducted horizontal genomic surveillance of MPXV in Shenzhen from 2023 to 2024 to characterize the phylogenetic structure, mutational patterns, and adaptive evolution of locally circulating strains. Phylogenetic analysis showed 95.2% of strains belonged to the dominant lineage C.1.1, with 4.8% in lineage E.3, forming three distinct genetic clusters that indicate multiple independent introductions and established local transmission chains. Whole-genome mutational analysis identified 146 single-nucleotide polymorphisms (SNPs), 81.5% of which carried APOBEC3-mediated mutation signatures (TC > TT and GA > AA), reflecting host-driven antiviral editing. Notably, dynamic changes in low-complexity regions (LCRs) were observed, implying potential roles in genome plasticity and adaptive evolution. Functional analysis revealed non-synonymous substitution biases in host-interacting proteins OPG064, OPG145, and OPG210, while replication protein OPG105 remained conserved. Structural modeling identified critical substitutions in OPG002 (S54F), OPG016 (R84K), and OPG036 (R48C) that may enhance immune evasion by modulating TNF-α signaling, NKG2D engagement, and Type I interferon antagonism. These findings illuminate unique MPXV evolutionary dynamics in Shenzhen, emphasizing continuous genomic surveillance for non-endemic outbreak preparedness. Full article

The prefabricated reinforced concrete columns–steel girder (RCS) hybrid frame structure using column–column connections is a kind of green and environmentally friendly building structure; its seismic performance is investigated. The seismic susceptibility and key influencing factors are systematically evaluated through the establishment of an analytical model and incremental dynamic analysis (IDA) method. A typical three-span, six-story prefabricated RCS hybrid frame structure is designed and numerically modeled with good agreement with the test data. Sa(T1,5%) and PGA double ground motion intensity parameters are selected for IDA analysis. A comparison between the quantile curve method and the conditional logarithmic standard deviation method reveals that using Sa(T1, 5%) as the intensity measure (IM) provides greater reliability for analyzing the vulnerability of the prefabricated RCS hybrid frame structure. The seismic probability demand model of the structure is fitted with Sa(T1,5%) as a parameter and the seismic fragility curves of the structure are plotted; this shows that the slope of the seismic fragility curves becomes smaller after the structure enters the elastic–plastic state, and exhibits good seismic performance. By studying the effects of concrete strength, longitudinal reinforcement strength, and the axial compression ratio on the seismic fragility, it can be seen that with the increase in concrete strength and longitudinal reinforcement strength, and the decrease in axial compression ratio, the overall ductility of the structure increases, the resistance to lateral deformation of the RCS hybrid frame structure is enhanced, and the seismic performance of the prefabricated structure is improved. Full article

Background: Tuberculosis (TB) remains a global health priority, with current interventions like the Bacille Calmette–Guérin (BCG) vaccine lacking efficacy against latent infection and drug-resistant strains. Novel vaccines targeting both latent and active TB are urgently needed. Objective: This study aims to design a multi-epitope vaccine (MEV) and evaluate its immunogenicity, structural stability, and interactions with toll-like receptor 2/4 (TLR-2/4) via computational biology approaches. Methods: We designed MEV using bioinformatics tools, prioritizing immunodominant epitopes from Mycobacterium tuberculosis antigens. Structural stability was optimized through disulfide engineering, and molecular docking/dynamics simulations were used to analyze interactions and conformational dynamics with TLR-2/4. Antigenicity, immunogenicity, population coverage, and immune responses were computationally assessed. Results: The MEV candidate, CP91110P, exhibited 86.18% predicted global human leukocyte antigen (HLA)-I/II coverage, high antigenicity (VaxiJen: 0.8789), and immunogenicity (IEDB: 4.40091), with favorable stability (instability index: 33.48) and solubility (0.485). Tertiary structure analysis indicated that 98.34% residues were located in favored regions. Molecular docking suggested strong TLR-2 (−1535.9 kcal/mol) and TLR-4 (−1672.5 kcal/mol) binding. Molecular dynamics simulations indicated stable TLR-2 interactions (RMSD: 6–8 Å; Rg: 38.50–39.50 Å) and flexible TLR-4 binding (RMSD: 2–6 Å; Rg: 33–36 Å). Principal component analysis, free energy landscapes, and dynamic cross-correlation matrix analyses highlighted TLR-2’s structural coherence versus TLR-4’s adaptive flexibility. Immune simulations predicted potential robust natural killer cell activation, T helper 1 polarization (interferon-gamma/interleukin-2 dominance), and elevated IgM/IgG levels. Conclusions: CP91110P is predicted to stably bind to TLR-2 and flexibly interact with TLR-4, with prediction of its high antigenicity and broad coverage across immune populations. However, this conclusion requires confirmation through experimental validation. Therefore, it may provide a promising candidate for experimental validation in the development of tuberculosis vaccines. Full article

The synergistic interaction between landscape fragmentation and climate change poses a critical threat to tropical forests. However, the long-term dynamics of these coupled pressures have been little explored. This study analyzes half a century (1979–2023) of changes in landscape structure and climate across five coastal watersheds in Oaxaca, Mexico a region of high biological and socio-economic diversity. Using multitemporal satellite imagery (Corona, Orthophotos, RapidEye and Planet), we quantified the trajectories of tree cover, fragmentation (Largest Patch Index, LPI; Simpson’s Diversity Index, SIDI), and connectivity (Probability of Connectivity Index, PC); and contrasted these with temperature and precipitation trends. Our results reveal that during the period 1979–2010, there was a slight increase in tree cover accompanied by positive landscape metrics, whereas in the period 2010–2023 a loss of tree cover was observed. Nonetheless, overall, between 1979 and 2023, the analysis indicates a net gain of 59,725 ha of tree cover, a reduction in fragmentation (LPI increased by 26.33% and SIDI decreased by 0.23), and an improvement in connectivity (PC increased by 0.35). During the same period, the average annual temperature increased by 2.3 °C, and precipitation decreased by 219 mm annually. The study concludes that the system is undergoing a transition from a spatial configuration limitation to a climate-induced habitat quality limitation. Full article

Background: Accurate and early diagnosis of autism spectrum disorder (ASD) is essential for timely intervention. Structural magnetic resonance imaging (sMRI) and functional magnetic resonance imaging (fMRI) provide complementary insights into brain structure and function. Most deep learning approaches rely on a single modality, limiting their ability to capture cross-modal relationships. Methods: We propose DAGMNet, a dual-branch attention-pruned graph neural network for ASD prediction that integrates sMRI, fMRI, and phenotypic data. The framework employs modality-specific feature extraction to preserve unique structural and functional characteristics, an attention-based cross-modal fusion module to model inter-modality complementarity, and a phenotype-pruned dynamic graph learning module with adaptive graph construction for personalized diagnosis. Results: Evaluated on the ABIDE-I dataset, DAGMNet achieves an accuracy of 91.59% and an AUC of 96.80%, outperforming several state-of-the-art baselines. To validate the method’s generalizability, we also validate it on ADNI datasets from other degenerative diseases and achieve good results. Conclusions: By effectively fusing multimodal neuroimaging and phenotypic information, DAGMNet enhances cross-modal representation learning and improves diagnostic accuracy. To further assist clinical decision making, we conduct biomarker detection analysis to provide region-level explanations of our model’s decisions. Full article

Zebra mussel invasion of North American lakes during the last century may play an important role in the occurrence of toxic cyanobacterial blooms. However, empirical evidence quantifying their influence on cyanobacterial community dynamics at broad spatial scales remains limited. Here, we analyzed data from the U.S. EPA National Lakes Assessment (>1000 lakes) to examine potential linkages among zebra mussels, cyanobacterial community composition, and cyanotoxin levels. The analysis results showed significant differences in cyanobacterial communities between lakes located in areas with and without established zebra mussel populations. The lakes with established zebra mussels exhibited significantly higher microcystin levels and cyanobacterial abundance, but lower phosphorus concentrations. Structural equation modeling was used to confirm and estimate the effect of zebra mussels on microcystin concentrations via different pathways. The results suggest three potential pathways whereby zebra mussels influence microcystin production: (1) altering phosphorus concentration; (2) increasing cyanobacterial abundance; and (3) shifting cyanobacteria community structure. The total effect of zebra mussel establishment resulted in an overall 1.40-fold net increase in microcystin level, which presumably resulted from three contributing factors: (1) a 1.06-fold increase through an increased cyanobacterial abundance; (2) a 1.53-fold increase through a selective force, resulting in increased cyanobacteria toxicity; and (3) a 0.86-fold decrease in microcystin level through total phosphorus decrease. The study highlights the potential role of zebra mussel invasion in altering cyanobacterial composition and influencing microcystin levels in U.S. lakes. Full article

The Backtracking Search Algorithm (BSA) has emerged as a promising stochastic optimization method. This paper introduces a novel hybrid evolutionary algorithm, termed LOBSA, integrating the strengths of BSA and Lemurs Optimizer (LO). The hybrid approach significantly improves global exploration and convergence speed, validated through rigorous tests on 23 benchmark functions from the CEC 2013 suite, encompassing unimodal, multimodal, and fixed dimension multimodal functions. Compared with state-of-the-art algorithms, LOBSA presents a relative improvement, achieving superior results and outperforming traditional BSA by up to 35% of global performance gain in terms of solution accuracy. Moreover, the applicability and robustness of LOBSA were demonstrated in practical constrained optimization and a fluid–structure interaction problem involving the dynamic analysis and optimization of a submerged boat propeller, demonstrating both computational efficiency and real-world applicability. Full article

This article examines the contemporary Portuguese family through the lens of changes in the transmission of family values, with a particular focus on the religious sphere. Using a quantitative methodology based on a questionnaire survey administered to a non-probabilistic convenience sample of 3634 respondents in Portugal, this study explores the transformations in family values and the role of religion. The findings show that current values are increasingly oriented toward individualism, emotionality, expressiveness, and empowerment, with religion no longer underpinning these values. The religious decline within the family sphere has paralleled the erosion of traditional, positional, and hierarchical values—even among individuals with religious beliefs in whom the sense of belonging is weakening—favoring individualistic and expressive values related to work, education, and leisure. The analysis reveals significant generational differences in the perception of family, indicating an ongoing process of social transformation that reflects broader structural changes in Portuguese society. Younger generations exhibit a stronger adherence to individualistic values and a weaker attachment to traditional hierarchical patterns. The data suggest a profound reconfiguration of the value foundations of the family, with important implications for family policies and for understanding contemporary family dynamics in the Portuguese context. Full article

In this paper, a novel venturi jet reactor is innovatively proposed for the process of hydrazine hydrate production using the urea method. In order to investigate the performance of this reactor in depth, we used the computational fluid dynamics method to optimize the design of the structure of the new venturi jet reactor based on the flow field condition, the degree of mixing uniformity, and the efficiency of the reactor using the component transport model. The results showed that the moderate increase of the distance of mixing tube to nozzle and nozzle diameter seven could help to improve the efficiency of the jet reactor; however, in terms of the mixing effect, the increase of the distance of mixing tube to nozzle led to the mixing effect to be enhanced and then weakened, while the increase in the nozzle diameter was not conducive to the full mixing of the two fluids. In addition, the effects of ratio of throat length to diameter and constriction angle on the efficiency of the jet reactor showed nonlinear characteristics, and the optimal values existed in the study range. Based on the above analysis, this paper determines the optimal range of structural parameters, i.e., the distance of mixing tube to nozzle of 7–13 mm, the nozzle outlet diameter of 5–7 mm, the ratio of throat length to diameter of 3–5, and the constriction angle of 30–40°, and the study provides guidance for the industrial application of the venturi jet reactor. Full article