Search Results (5,605)

Background: Antibacterial resistance (ABR) poses a major challenge to global health, with methicillin-resistant Staphylococcus aureus (MRSA) being one of the prominent multidrug-resistant strains. MRSA has developed resistance through the expression of Penicillin-Binding Protein 2a (PBP2a), a key transpeptidase enzyme involved in bacterial cell wall biosynthesis. Objectives: The objective was to design and characterize a novel small-molecule inhibitor targeting PBP2a as a strategy to combat MRSA. Methods: We synthesized a new indole triazole conjugate (ITC) using eco-friendly and click chemistry approaches. In vitro antibacterial tests were performed against a panel of strains to evaluate the ITC antibacterial potential. Further, a series of in silico evaluations like molecular docking, MD simulations, free energy landscape (FEL), and principal component analysis (PCA) using the crystal structure of PBP2a (PDB ID: 4CJN), in order to predict the mechanism of action, binding mode, structural stability, and energetic profile of the 4CJN-ITC complex. Results: The compound ITC exhibited noteworthy antibacterial activity, which effectively inhibited the selected strains. Binding score and energy calculations demonstrated high affinity of ITC for the allosteric site of PBP2a and significant interactions responsible for complex stability during MD simulations. Further, FEL and PCA provided insights into the conformational behavior of ITC. These results gave the structural clues for the inhibitory action of ITC on the PBP2a. Conclusions: The integrated in vitro and in silico studies corroborate the potential of ITC as a promising developmental lead targeting PBP2a in MRSA. This study demonstrates the potential usage of rational drug design approaches in addressing therapeutic needs related to ABR. Full article

Quasi-solid aqueous zinc batteries (QSAZBs) have wide applications in the energy storage field due to their advantages of high safety, cost-effectiveness, and eco-friendliness. Despite prolific research output in the field of QSAZBs, existing reviews predominantly focus on experimental advancements, with limited synthesis of global research trends, interdisciplinary connections, or knowledge gaps. Herein, we review the research on QSAZBs via bibliometric analysis using the VOSviewer software (version 1.6.20). First, the data from qualitatively evaluated publications on QSAZBs from 2016 and 2024 are integrated. In addition, the annual trends, leading countries/regions and their international collaborations, institutional research and patent distribution, and important keyword cluster analyses in QSAZB research are evaluated. The results reveal that China dominates in terms of publication output (71.16% of total papers), and Singapore exhibits the highest citation impact (103.2 citations/paper). International collaboration networks indicate the central role of China, with strong ties to Singapore, the USA, and Australia. Keyword clustering indicates core research priorities: cathode materials (MnO₂ and V₂O₅), quasi-solid electrolyte optimization (hydrogels and graphene composites), and interfacial stability mechanisms. By mapping global trends and interdisciplinary linkages, this work provides insights to accelerate QSAZBs’ transition from laboratory breakthroughs to grid-scale and wearable applications. Full article

Soil organic carbon (SOC) pool plays an extremely important role in regulating the global carbon (C) cycle and climate change. Atmospheric nitrogen (N) and phosphorus (P) deposition caused by human activities has significant impacts on soil C sequestration potential of terrestrial ecosystem. To investigate the effects of N and P deposition on soil C sequestration and C-N coupling relationship in broad-leaved evergreen forests, a 6-year field nutrient regulation experiment was implemented in subtropical Castanopsis sclerophylla forests with four different N and P additions: N addition (100 kg N·hm⁻²·year⁻¹), N + P (100 kg N·hm⁻²·year⁻¹ + 50 kg P·hm⁻²·year⁻¹), P addition (50 kg P·hm⁻²·year⁻¹), and CK (0 kg N·hm⁻²·year⁻¹). The changes in the C and N contents and stable isotope distributions (δ¹³C and δ¹⁵N) of different soil organic fractions were examined. The results showed that the SOC and total nitrogen (STN) (p > 0.05) increased with N addition, while SOC significantly decreased with P addition (p < 0.05), and N + P treatment has low effect on SOC, STN (p > 0.05). By density grouping, it was found that N addition significantly increased light fraction C and N (LFOC, LFN), significantly decreased the light fraction C to N ratio (LFOC/N) (p < 0.05), and increased heavy fraction C and N (HFOC, HFN) accumulation and light fraction to total organic C ratio (LFOC/SOC, p > 0.05). Contrary to N addition, P addition was detrimental to the accumulation of LFOC, LFN and reduced LFOC/SOC. It was found that different reactive oxidized carbon (ROC) increased under N addition but ROC/SOC did not change, while N + P and P treatments increased ROC/SOC, resulting in a decrease in SOC chemical stability. Stable isotope analysis showed that N addition promoted the accumulation of new soil organic matter, whereas P addition enhanced the transformation and utilization of C and N from pre-existing organic matter. Additionally, N addition indirectly increased LFOC by significantly decreasing pH; significantly contributed to LFOC and ROC by increasing STN accumulation promoted by NO₃⁻-N and NH₄⁺-N; and decreased light fraction δ¹³C by significantly increasing dissolved organic C (p < 0.05). P addition had directly significant negative effect on LFOC and SOC (p < 0.05). In conclusion, six-year N deposition enhances soil C and N sequestration while the P enrichment reduces the content of soil C, N fractions and stability in Castanopsis sclerophylla forests. The results provide a scientific basis for predicting the soil C sink function of evergreen broad-leaved forest ecosystem under the background of future climate change. Full article

Cancer remains a significant global health challenge, with China being particularly affected because of its large population. Regulated cell death (RCD) mechanisms, including autophagy, apoptosis, necroptosis, pyroptosis, and ferroptosis, play complex roles in cancer development and progression. This review explores the dual roles of autophagy and apoptosis in cancer, highlighting their tumor-suppressive and tumor-promoting functions. Autophagy can maintain genomic stability, induce apoptosis, and suppress protumor inflammation, but it may also support tumor cell survival and drug resistance. Apoptosis, while primarily tumor-suppressive, can paradoxically promote cancer progression in certain contexts. Other RCD mechanisms, such as necroptosis, pyroptosis, and ferroptosis, also exhibit dual roles in cancer, influencing tumor growth, metastasis, and immune responses. Understanding these mechanisms is crucial for developing targeted cancer therapies. This review provides insights into the intricate interplay between RCD mechanisms and cancer, emphasizing the need for context-dependent therapeutic strategies. Full article

Reducing post-harvest losses of cereal crops is a key challenge for ensuring global food security amid the limited arable land and growing population. This study investigates the effectiveness of electron beam irradiation (5 MeV, ILU-10 accelerator) as a physical decontamination method for various cereal crops cultivated in Kazakhstan. Samples were irradiated at doses ranging from 1 to 5 kGy, and microbiological indicators—including Quantity of Mesophilic Aerobic and Facultative Anaerobic Microorganisms (QMAFAnM), yeasts, and molds—were quantified according to national standards. Experimental results demonstrated an exponential decline in microbial contamination, with a >99% reduction achieved at doses of 4–5 kGy. The modeled inactivation kinetics showed strong agreement with the experimental data: R² = 0.995 for QMAFAnM and R² = 0.948 for mold, confirming the reliability of the exponential decay models. Additionally, key quality parameters—including protein content, moisture, and gluten—were evaluated post-irradiation. The results showed that protein levels remained largely stable across all doses, while slight but statistically insignificant fluctuations were observed in moisture and gluten contents. Principal component analysis and scatterplot matrix visualization confirmed clustering patterns related to radiation dose and crop type. The findings substantiate the feasibility of electron beam treatment as a scalable and safe technology for improving the microbiological quality and storage stability of cereal crops. Full article

Coarse-grained soils serve as essential fill materials in earth–rock dam engineering, where their mechanical properties critically influence dam deformation and stability, directly impacting project safety. Artificial intelligence (AI) techniques are emerging as powerful tools for predicting the mechanical properties of coarse-grained soils. However, AI-based prediction models for these properties face persistent challenges, particularly in parameter tuning—a process requiring substantial computational resources, extensive time, and specialized expertise. To address these limitations, this study proposes a novel prediction model that integrates Adaptive Simulated Annealing (ASA) with an improved Particle Swarm Optimization (PSO) algorithm to optimize the Elman Neural Network (ENN). The methodology encompasses three key aspects: First, the standard PSO algorithm is enhanced by dynamically adjusting its inertial weight and learning factors. The ASA algorithm is then employed to optimize the Adaptive PSO (APSO), effectively mitigating premature convergence and local optima entrapment during training, thereby ensuring convergence to the global optimum. Second, the refined PSO algorithm optimizes the ENN, overcoming its inherent limitations of slow convergence and susceptibility to local minima. Finally, validation through real-world engineering case studies demonstrates that the ASA-PSO-optimized ENN model achieves high accuracy in predicting the mechanical properties of coarse-grained soils. This model provides reliable constitutive parameters for stress–strain analysis in earth–rock dam engineering applications. Full article

Background/Objectives. This manuscript presents an overview of advances in oncological radiotherapy as an effective treatment method for cancerous tumors, focusing on mechanisms of action within metabolite–antimetabolite systems. The urgency of this topic is underscored by the fact that cancer remains one of the leading causes of death worldwide: as of 2022, approximately 20 million new cases were diagnosed globally, accounting for about 0.25% of the total population. Given prognostic models predicting a steady increase in cancer incidence to 35 million cases by 2050, there is an urgent need for the latest developments in physics, chemistry, molecular biology, pharmacy, and strict adherence to oncological vigilance. The purpose of this work is to demonstrate the relationship between the nature and mechanisms of past diagnostic and therapeutic oncology approaches, their current improvements, and future prospects. Particular emphasis is placed on isotope technologies in the production of therapeutic nuclides, focusing on the mechanisms of formation of simple and complex theranostic compounds and their classification according to target specificity. Methods. The methodology involved searching, selecting, and analyzing information from PubMed, Scopus, and Web of Science databases, as well as from available official online sources over the past 20 years. The search was structured around the structure–mechanism–effect relationship of active pharmaceutical ingredients (APIs). The manuscript, including graphic materials, was prepared using a narrative synthesis method. Results. The results present a sequential analysis of materials related to isotope technology, particularly nucleus stability and instability. An explanation of theranostic principles enabled a detailed description of the action mechanisms of radiopharmaceuticals on various receptors within the metabolite–antimetabolite system using specific drug models. Attention is also given to radioactive nanotheranostics, exemplified by the mechanisms of action of radioactive nanoparticles such as Tc-99m, AuNPs, wwAgNPs, FeNPs, and others. Conclusions. Radiotheranostics, which combines the diagnostic properties of unstable nuclei with therapeutic effects, serves as an effective adjunctive and/or independent method for treating cancer patients. Despite the emergence of resistance to both chemotherapy and radiotherapy, existing nuclide resources provide protection against subsequent tumor metastasis. However, given the unfavorable cancer incidence prognosis over the next 25 years, the development of “preventive” drugs is recommended. Progress in this area will be facilitated by modern medical knowledge and a deeper understanding of ligand–receptor interactions to trigger apoptosis in rapidly proliferating cells. Full article

Traditional algorithms such as Dijkstra and APF rely on complete environmental information for path planning, which results in numerous constraints during modeling. This not only increases the complexity of the algorithms but also reduces the efficiency and reliability of the planning. Swarm intelligence algorithms possess strong data processing and search capabilities, enabling them to efficiently solve path planning problems in different environments and generate approximately optimal paths. However, swarm intelligence algorithms suffer from issues like premature convergence and a tendency to fall into local optima during the search process. Thus, an improved Artificial Bee Colony-Beetle Antennae Search (IABCBAS) algorithm is proposed. Firstly, Tent chaos and non-uniform variation are introduced into the bee algorithm to enhance population diversity and spatial searchability. Secondly, the stochastic reverse learning mechanism and greedy strategy are incorporated into the beetle antennae search algorithm to improve direction-finding ability and the capacity to escape local optima, respectively. Finally, the weights of the two algorithms are adaptively adjusted to balance global search and local refinement. Results of experiments using nine benchmark functions and four comparative algorithms show that the improved algorithm exhibits superior path point search performance and high stability in both high- and low-dimensional environments, as well as in unimodal and multimodal environments. Ablation experiment results indicate that the optimization strategies introduced in the algorithm effectively improve convergence accuracy and speed during path planning. Results of the path planning experiments show that compared with the comparison algorithms, the average path planning distance of the improved algorithm is reduced by 23.83% in the 2D multi-obstacle environment, and the average planning time is shortened by 27.97% in the 3D surface environment. The improvement in path planning efficiency makes this algorithm of certain value in engineering applications. Full article

Given the severe global traffic safety challenges—including threats to human lives and socioeconomic impacts—this study analyzes visual behavior to promote sustainable transportation, improve road safety, and reduce resource waste and pollution caused by accidents. Four typical road sections, namely, turning, straight ahead, uphill, and downhill, were selected, and the eye movement data of 23 drivers in different driving stages were collected by aSee Glasses eye-tracking device to analyze the visual gaze characteristics of the drivers and their transfer patterns in each road section. Using Markov chain theory, the probability of staying at each gaze point and the transfer probability distribution between gaze points were investigated. The results of the study showed that drivers’ visual behaviors in different road sections showed significant differences: drivers in the turning section had the largest percentage of fixation on the near front, with a fixation duration and frequency of 29.99% and 28.80%, respectively; the straight ahead section, on the other hand, mainly focused on the right side of the road, with 31.57% of fixation duration and 19.45% of frequency of fixation; on the uphill section, drivers’ fixation duration on the left and right roads was more balanced, with 24.36% of fixation duration on the left side of the road and 25.51% on the right side of the road; drivers on the downhill section looked more frequently at the distance ahead, with a total fixation frequency of 23.20%, while paying higher attention to the right side of the road environment, with a fixation duration of 27.09%. In terms of visual fixation, the fixation shift in the turning road section was mainly concentrated between the near and distant parts of the road ahead and frequently turned to the left and right sides; the straight road section mainly showed a shift between the distant parts of the road ahead and the dashboard; the uphill road section was concentrated on the shift between the near parts of the road ahead and the two sides of the road, while the downhill road section mainly occurred between the distant parts of the road ahead and the rearview mirror. Although drivers’ fixations on the front of the road were most concentrated under the four road sections, with an overall fixation stability probability exceeding 67%, there were significant differences in fixation smoothness between different road sections. Through this study, this paper not only reveals the laws of drivers’ visual behavior under different driving environments but also provides theoretical support for behavior-based traffic safety improvement strategies. Full article

Large-scale wind power grid-connected systems can trigger the risk of power system instability. In order to enhance the stability margin of grid-connected systems, this paper accurately characterizes the topology of the global boundary of stability domain (BSD) of the grid-connected system based on BSD theory, using the method of combining the manifold topologies and singularities at infinity. On this basis, the effect of large-scale doubly fed induction generators (DFIGs) replacing synchronous units on the BSD of the system is analyzed. Simulation results based on the IEEE 39-bus system indicate that the negative impedance characteristics and low inertia of DFIGs lead to a contraction of the stability domain. The principle of singularity invariance (PSI) proposed in this paper can effectively expand the BSD by adjusting the inertia and damping, thereby increasing the critical clearing time by about 5.16% and decreasing the dynamic response time by about 6.22% (inertia increases by about 5.56%). PSI is superior and applicable compared to traditional energy functions, and can be used to study the power angle stability of power systems with a high proportion of renewable energy. Full article

Soil organic carbon (SOC) is an important part of the global C pool and is sensitive to climate change. The SOC content and fractions of rice paddies along four elevations (250, 1150, 1600 and 1800 m) on the same slope in four seasons (spring, summer, autumn and winter) at Yuanyang Terrace in southwest China were investigated, and their relationship with environmental factors was analyzed. The contents of SOC, unprotected SOC (uPOM), physically protected SOC (pPOM) and biochemically protected SOC (bcPOM) in rice paddies at a low elevation (250 m), were significantly lower by 49–51% than those at relatively high elevations (1600 m and 1800 m). Among the SOC fractions, the highest proportion (33–50%) was uPOM, followed by pPOM and bcPOM (accounting for 17–40%), and the lowest proportion was chemically protected SOC (cPOM). In addition, there were interseasonal differences among the contents of SOC fractions, with a significantly higher content of SOC, uPOM and pPOM at an elevation of 1600 m in summer than in the other three seasons, whereas the cPOM content at an elevation of 250 m in spring was significantly higher than in the other three higher elevations. According to the redundancy analysis (RDA), total nitrogen was the key environmental factor, with an explanatory degree of 56% affecting the contents of SOC and its fractions. Thus, the SOC content increased with increasing elevation, and physical and biochemical protection were potential stabilization mechanisms responsible for their stability in the rice paddy of Yuanyang Terrace. These results provides empirical evidence for the elevational distribution patterns and seasonal dynamics of SOC fractions in rice paddies across Yuanyang Terrace. These findings highlight the importance of physical and biochemical protection mechanisms in stabilizing SOC in rice paddies, which could enhance long-term C sequestration and contribute to climate change mitigation in terraced agroecosystems. Full article

This paper addresses the problem of optimizing obesity, which has been a challenging issue in the last decade based on recent data revealed in 2024 by the World Health Organization (WHO). The current work introduces a new mathematical model of the dynamics of weight over time with embedded control parameters to optimize the number of obese, overweight, and comorbidity populations. The mathematical formulation of the model is developed under certain sufficient conditions that guarantee the positivity and boundedness of solutions over time. The model structure exhibits inherent symmetry in population group transitions, particularly around the equilibrium state, which allows the application of analytical tools such as the Routh–Hurwitz and Metzler criteria. Then, the analysis of local and global stability of the obesity-free equilibrium state is discussed based on these criteria. Based on the Pontryagin maximum principle (PMP), the deviation from the obesity-free equilibrium state is controlled. The model’s effectiveness is demonstrated through simulation using the Forward–Backward Sweeping algorithm with parameters derived from recent research in human health. Incorporating symmetry considerations in the model enhances the understanding of system behavior and supports balanced intervention strategies. Results suggest that the model can effectively inform strategies to mitigate obesity prevalence and associated health risks. Full article

A method for configuration synthesis of a reconfigurable decoupled parallel mechanical leg is proposed. In addition, a configuration evaluation index is proposed to evaluate the synthesized configurations and select the optimal one. Kinematic analysis and performance optimization of the selected mechanism’s configuration are carried out, and the motion mode of the robot’s reconfigurable mechanical leg is selected according to the task requirements. Then, the robot’s gait in walking mode is planned. Firstly, based on bionic principles, the motion characteristics of a mechanical leg based on a mammalian model and an insect model were analyzed. The input and output characteristics of the mechanism were analyzed to obtain the reconfiguration principle of the mechanism. Using type synthesis theory for the decoupled parallel mechanism, the configuration synthesis of the chain was carried out, and the constraint mode of the mechanical leg was determined according to the constraint property of the chain and the motion characteristics of the moving platform. Secondly, an evaluation index for the complexity of the reconfigurable mechanical leg structure was developed, and the synthesized mechanism was further analyzed and evaluated to select the mechanical leg’s configuration. Thirdly, the inverse position equations were established for the mechanical leg in the two motion modes, and its Jacobian matrix was derived. The degrees of freedom of the mechanism are completely decoupled in the two motion modes. Then, the workspace and motion/force transmission performance of the mechanical leg in the two motion modes were analyzed. Based on the weighted standard deviation of the motion/force transmission performance, the global performance fluctuation index of the mechanical leg motion/force transmission is defined, and the structural size parameters of the mechanical leg are optimized with the performance index as the optimization objective function. Finally, with the reconfigurable mechanical leg in the insect mode, the robot’s gait in the walking operation mode is planned according to the static stability criterion. Full article

Hydrogen energy holds immense potential to address the global energy crisis and environmental challenges. However, its large-scale application is severely hindered by the lack of efficient hydrogen storage materials. This study systematically investigates the H₂ adsorption properties of intrinsic C₂₆ fullerene and Li-decorated C₂₆ fullerene using density functional theory (DFT) calculations. The results reveal that Li atoms preferentially bind to the H_5-5 site of C₂₆, driven by significant electron transfer (0.90 |e|) from Li to C₂₆. This electron redistribution modulates the electronic structure of C₂₆, as evidenced by projected density of states (PDOS) analysis, where the p orbitals of C atoms near the Fermi level undergo hybridization with Li orbitals, enhancing the electrostatic environment for H₂ adsorption. For Li-decorated C₂₆, the average adsorption energy and consecutive adsorption energy decrease as more H₂ molecules are adsorbed, indicating a gradual weakening of adsorption strength and signifying a saturation limit of three H₂ molecules. Charge density difference and PDOS analyses further demonstrate that H₂ adsorption induces synergistic electron transfer from both Li (0.89 |e| loss) and H₂ (0.01 |e| loss) to C₂₆ (0.90 |e| gain), with orbital hybridization between H s orbitals, C p orbitals, and Li orbitals stabilizing the adsorbed system. This study aimed to provide a comprehensive understanding of the microscopic mechanism underlying Li-enhanced H₂ adsorption on C₂₆ fullerene and offer insights into the rational design of metal-decorated fullerene-based systems for efficient hydrogen storage. Full article

Global marine coastal aquaculture increased by 6.7 million tons in 2024, with whiteleg shrimp (Penaeus vannamei) dominating crustacean production. However, reliance on a single species raises sustainability concerns, particularly in the face of climate change. Diversifying shrimp farming by cultivating native species, such as the European brown shrimp (Crangon crangon), presents an opportunity to develop a sustainable blue bioeconomy in Europe. C. crangon holds significant commercial value, yet overexploitation has led to population declines. Integrated Multi-Trophic Aquaculture (IMTA) offers a viable solution by utilizing fish farm wastewater as a nutrient source, reducing both costs and environmental impact. Research efforts in Germany and other European nations are exploring IMTA’s potential by co-culturing shrimp with species like sea bream, sea bass, and salmon. The physiological adaptability and omnivorous diet of C. crangon further support its viability in aquaculture. However, critical knowledge gaps remain regarding its lipid metabolism, early ontogeny, and reproductive biology—factors essential for optimizing captive breeding. Future interdisciplinary research should refine larval culture techniques and develop sustainable co-culture models. Expanding C. crangon aquaculture aligns with the UN’s Sustainable Development Goals by enhancing food security, ecosystem resilience, and economic stability while reducing Europe’s reliance on seafood imports. Full article