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26 pages, 17331 KB  
Article
Impact of Speed and Differential Correction Base Type on Mobile Mapping System Accuracy
by Luis Iglesias, Serafín López-Cuervo, Roberto Rodríguez-Solano and Maria Castro
Remote Sens. 2025, 17(24), 4064; https://doi.org/10.3390/rs17244064 - 18 Dec 2025
Abstract
Mobile Mapping Systems (MMSs) have emerged as indispensable instruments for producing high-precision road maps in recent years. Despite incorporating modern devices, their efficacy may be influenced by operational variables such as vehicle speed or the type of GNSS (Global Navigation Satellite System) differential [...] Read more.
Mobile Mapping Systems (MMSs) have emerged as indispensable instruments for producing high-precision road maps in recent years. Despite incorporating modern devices, their efficacy may be influenced by operational variables such as vehicle speed or the type of GNSS (Global Navigation Satellite System) differential correction employed. This study assesses the impact of varying vehicle speeds and differential correction settings on the accuracy of point grids acquired with an MMS on a two-lane rural road. The experiment was performed across a 7 km distance, incorporating two speeds (40 and 60 km/h) and two travel directions. Three correction methodologies were examined: a proximate local base (MBS), a network station solution of the National Geographic Institute (NET), and virtual reference stations (VRSs). The methodology encompassed normality analysis, descriptive statistics, mean comparisons, one- and two-factor analysis of variance (ANOVA), and the computation of the root mean square error (RMSE) as a measure of accuracy. The findings indicate that horizontal discrepancies remain steady and unaffected by the correction technique; however, notable changes are seen in the vertical component, with the NET option proving to be the most effective. The acquisition rate is the primary determinant, exacerbating errors at 60 km/h. In conclusion, the dependability of MMS surveys is contingent upon the correction approach and operational conditions, and it is advisable to sustain moderate speeds to guarantee precise three-dimensional models. Full article
(This article belongs to the Special Issue Advancements in LiDAR Technology and Applications in Remote Sensing)
30 pages, 10659 KB  
Article
Performance Analysis of Artificial Neural Network and Its Optimized Models on Compressive Strength Prediction of Recycled Cement Mortar
by Lin-Bin Li, Guang-Ji Yin, Jing-Jing Shao, Ling Miao, Yu-Jie Lang, Jia-Jia Zhu and Shan-Shan Cheng
Materials 2025, 18(24), 5694; https://doi.org/10.3390/ma18245694 - 18 Dec 2025
Abstract
In the background of sustainable development in the construction industry, recycled cement mortar (RCM) has emerged as a research hotspot due to its eco-friendly features, where mechanical properties serve as critical indicators for evaluating its engineering applicability. This study proposes an artificial neural [...] Read more.
In the background of sustainable development in the construction industry, recycled cement mortar (RCM) has emerged as a research hotspot due to its eco-friendly features, where mechanical properties serve as critical indicators for evaluating its engineering applicability. This study proposes an artificial neural network (ANN) model optimized by intelligent algorithms, including the GWO (grey wolf optimizer), PSO (particle swarm optimization), and a GA (genetic algorithm), to predict the compressive strength of recycled mortar. By integrating experimental and prediction data, we establish a comprehensive database with eight input variables, including the water–cement ratio (W/C), cement–sand ratio (C/S), fly ash content (FA), aggregate replacement rate (ARR), and curing age. The predictive performance of neural network models with different database sizes (database 1: experimental data of RCM; database 2: experimental data of RCM and ordinary mortar; database 3: model prediction data of RCM, experimental data of RCM, and ordinary mortar) is analyzed. The results show that the intelligent optimization algorithms significantly enhance the predictive performance of the ANN model. Among them, the PSO-ANN model demonstrates optimal performance, with R2 = 0.92, MSE = 0.007, and MAE = 0.0632, followed by the GA-ANN model and the GWO-ANN model. SHAP analysis reveals that the W/C, C/S, and curing age are the key variables influencing the compression strength. Furthermore, the size of the dataset does not significantly influence the computation time for the above models but is primarily governed by the complexity of the optimization algorithms. This study provides an efficient data-driven method for the mix design of RCM and a theoretical support for its engineering applications. Full article
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26 pages, 920 KB  
Review
Pioneering Insights into the Complexities of Salt-Sensitive Hypertension: Central Nervous System Mechanisms and Dietary Bioactive Compound Interventions
by Renjun Wang, Bo Xu, Xiping Liu, Qi Guo, Gregory Miodonski, Zhiying Shan, Dongshu Du and Qing-Hui Chen
Nutrients 2025, 17(24), 3961; https://doi.org/10.3390/nu17243961 - 18 Dec 2025
Abstract
Salt-sensitive hypertension (SSH) is an important and common subtype of hypertension, whose pathogenesis involves multi-level regulation, including the central nervous system (CNS), metabolic stress, and epigenetics. Dietary bioactive compounds have emerged as a research hotspot for SSH intervention due to their safety and [...] Read more.
Salt-sensitive hypertension (SSH) is an important and common subtype of hypertension, whose pathogenesis involves multi-level regulation, including the central nervous system (CNS), metabolic stress, and epigenetics. Dietary bioactive compounds have emerged as a research hotspot for SSH intervention due to their safety and multi-target effects. Although existing studies have focused on the CNS regulation of SSH or the role of individual dietary components, there is a lack of comprehensive analysis integrating multiple mechanisms, systematically summarizing multiple compounds, and incorporating a clinical translation perspective. This review first outlines the mechanisms of CNS pathways, endoplasmic reticulum (ER) stress, mitochondrial dysfunction, and epigenetic modifications in SSH. Then, it systematically reviews the mechanisms of action and preclinical and clinical research progress of bioactive compounds, including capsaicin, taurine, gamma-aminobutyric acid, tea, and anthocyanins in SSH. In summary, this review systematically clarifies the complex regulatory network of SSH and the intervention potential of dietary bioactive compounds from an integrated perspective, innovatively proposes a precise dietary intervention framework, and fills the research gaps in the integration of multiple mechanisms and systematic evaluation of compounds in existing studies. This framework not only provides a new integrated perspective for the basic research of SSH but also offers key references for clinical dietary guidance, functional food development, and the formulation of targeted intervention strategies. Full article
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22 pages, 3515 KB  
Article
Microbial Co-Occurrence Network Robustness, Not Diversity, Is a Key Predictor of Soil Organic Carbon in High-Altitude Mountain Forests
by Yiming Feng, Chunyan Lv, Tianwei Wu, Jinhua Li, Ling Wang and Changming Zhao
Forests 2025, 16(12), 1876; https://doi.org/10.3390/f16121876 - 18 Dec 2025
Abstract
Altitude-driven environmental changes influence the persistence of soil organic carbon (SOC) via microbial metabolic pathways. However, the degree to which the network robustness of microbial communities directly predicts the persistence of organic carbon in alpine mountain forests remains unclear. This study focused on [...] Read more.
Altitude-driven environmental changes influence the persistence of soil organic carbon (SOC) via microbial metabolic pathways. However, the degree to which the network robustness of microbial communities directly predicts the persistence of organic carbon in alpine mountain forests remains unclear. This study focused on the Qilian Sabina przewalskii forest, situated along an altitude gradient of 2900–3400 m in the Qilian Mountains, systematically exploring the organization of soil microbial communities, the co-occurrence networks’ robustness, and their predictive capacity for organic carbon storage. The results indicate that altitude, as a critical driving factor, not only alters the physicochemical properties, microbial composition, and diversity of the soil but also significantly impacts its complexity and network robustness. The complexity and robustness of the microbial network are highest in the mid-altitude region (3100–3200 m), which is conducive to the development of robust microbial networks. Both bacterial α diversity and network robustness exhibit positive correlations with SOC, whereas fungal diversity shows a negative correlation with SOC. Furthermore, statistical modeling revealed that indices of microbial co-occurrence network robustness were stronger predictors of SOC storage than classical alpha-diversity indices. The structural equation model reveals that microbial biomass nitrogen (MBN) serves as a key mediating factor linking microbial diversity and SOC. Soil characteristics emerge as the primary direct driving factor, whereas the robustness of microbial networks exerts a significant yet minor direct and mediating influence. This study underscores that the robustness of microbial networks, rather than their diversity, is a critical predictor of soil organic carbon in high-altitude mountain forests. It offers a novel theoretical framework for understanding the mechanisms of the carbon cycle in mountain forest ecosystems in the context of climate warming. Full article
20 pages, 1954 KB  
Article
Explaining Street-Level Thermal Variability Through Semantic Segmentation and Explainable AI: Toward Climate-Responsive Building and Urban Design
by Yuseok Lee, Minjun Kim and Eunkyo Seo
Atmosphere 2025, 16(12), 1413; https://doi.org/10.3390/atmos16121413 - 18 Dec 2025
Abstract
Understanding outdoor thermal environments at fine spatial scales is essential for developing climate-responsive urban and building design strategies. This study investigates the determinants of local air temperature deviations in Seoul, Korea, using high-resolution in situ sensor data integrated with multi-source urban and building [...] Read more.
Understanding outdoor thermal environments at fine spatial scales is essential for developing climate-responsive urban and building design strategies. This study investigates the determinants of local air temperature deviations in Seoul, Korea, using high-resolution in situ sensor data integrated with multi-source urban and building information. Hourly temperature records from 436 road-embedded sensors (March 2024–February 2025) were transformed into relative metrics representing deviations from the network-wide mean and were combined with semantic indicators derived from street-view imagery—Green View Index (GVI), Road View Index (RVI), Building View Index (BVI), Sky View Index (SVI), and Street Enclosure Index (SEI)—along with land-cover and building attributes such as impervious surface area (ISA), gross floor area (GFA), building coverage ratio (BCR), and floor area ratio (FAR). Employing an eXtreme Gradient Boosting (XGBoost)–Shapley Additive exPlanations (SHAP) framework, the study quantifies nonlinear and interactive relationships among morphological, environmental, and visual factors. SEI, BVI, and ISA emerged as dominant contributors to localized heating, while RVI, GVI, and SVI enhanced cooling potential. Seasonal contrasts reveal that built enclosure and vegetation visibility jointly shape micro-scale heat dynamics. The findings demonstrate how high-resolution, observation-based data can guide climate-responsive design strategies and support thermally adaptive urban planning. Full article
(This article belongs to the Special Issue Urban Adaptation to Heat and Climate Change)
17 pages, 3543 KB  
Article
Coordinated Auxin–Cytokinin–Nitrogen Signaling Orchestrates Root Suckering in Populus
by Hongying Pang, Wanwan Lyu, Yajuan Chen, Liping Ding, Lin Zheng and Hongzhi Wang
Int. J. Mol. Sci. 2025, 26(24), 12172; https://doi.org/10.3390/ijms262412172 - 18 Dec 2025
Abstract
Root suckering is a key mode of clonal propagation in white poplar group, such as aspens (Populus section Leuce), enabling rapid vegetative spread, yet the molecular triggers remain elusive. Here, we developed a rapid protocol that produces abundant root suckers with [...] Read more.
Root suckering is a key mode of clonal propagation in white poplar group, such as aspens (Populus section Leuce), enabling rapid vegetative spread, yet the molecular triggers remain elusive. Here, we developed a rapid protocol that produces abundant root suckers with the root cutting of white poplar (Populus davidiana × P. bolleana) roots in greenhouse. Anatomical analyses and daily resolution transcriptomes resolved three sequential developmental stages: primordium initiation (Days 0–1), SAM (shoot apical meristem) establishment (Days 1–4), and organ differentiation/growth (Days 4–6). Weighted gene co-expression network analysis revealed that auxin- and cytokinin-mediated signaling, integrated with nitrogen metabolism, orchestrates SAM formation and maintenance. Exogenous application of 0.5–1.0 mg L−1 NAA suppressed sucker emergence by 48–60%, whereas inhibition of cytokinin biosynthesis with lovastatin reduced initiation by 60%. These data establish that auxin negatively regulates and cytokinin is indispensable for de novo shoot apical meristem establishment during poplar root-suckering, underscoring that a precise auxin–cytokinin balance governs the timing and extent of this developmental process. Cambial regulators WUSCHEL-Related Homeobox 4-1/2 (WOX4-1/2), together with core meristem regulators WUSCHEL (WUS) and SHOOT MERISTEMLESS (STM), were specifically induced during SAM establishment that underpin vascular integration between the nascent shoot and the parental root. These results uncover the molecular pathway controlling root suckering and provide potential targets for molecular breeding to either enhance or suppress root suckering in Populus. Full article
(This article belongs to the Section Molecular Plant Sciences)
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14 pages, 752 KB  
Review
B and T Cell Interplay, Germinal Center Dynamics and Role of Regulatory T Cells (Tregs) in B Cell Modulation and Immune Tolerance: A Narrative Review
by Mohammad Shahid Iqbal, Ahmad F. Arbaeen, M. A. Bendary, Hasan H. Qadi, Aisha Tabassum, Othman M. Fallatah, Sami Melebari, Nadeem Ikram, Mohammed Parvez and Kamal H. Alzabeedi
Immuno 2025, 5(4), 62; https://doi.org/10.3390/immuno5040062 - 18 Dec 2025
Abstract
T cells and B cells are central components of the adaptive immune system, orchestrating immune responses through a complex network of interactions. This review explores the dynamic interplay between T and B cells, focusing on their development, activation, and functional coordination in immune [...] Read more.
T cells and B cells are central components of the adaptive immune system, orchestrating immune responses through a complex network of interactions. This review explores the dynamic interplay between T and B cells, focusing on their development, activation, and functional coordination in immune defense. T cells provide essential help to B cells through cytokine signaling and direct cell–cell interactions, facilitating antibody production and affinity maturation in germinal centers. Conversely, B cells contribute to antigen presentation and cytokine modulation, influencing T cell differentiation and function. The regulation of these interactions is critical for maintaining immune homeostasis, preventing autoimmunity, and enhancing vaccine efficacy. Dysregulation of T-B cell crosstalk is implicated in various immune disorders, including autoimmune diseases and immunodeficiencies. Recent advances in immunotherapy have targeted these pathways to modulate immune responses in conditions such as cancer, infections, and inflammatory diseases. This review synthesizes current knowledge on T and B cell physiology, highlighting emerging research on their cooperative mechanisms. Full article
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45 pages, 1859 KB  
Review
Gut–Brain Axis and Bile Acid Signaling: Linking Microbial Metabolism to Brain Function and Metabolic Regulation
by Bojan Stanimirov, Maja Đanić, Nebojša Pavlović, Dragana Zaklan, Slavica Lazarević, Momir Mikov and Karmen Stankov
Int. J. Mol. Sci. 2025, 26(24), 12167; https://doi.org/10.3390/ijms262412167 - 18 Dec 2025
Abstract
The gut–brain axis is a bidirectional communication network in which gut microbiota and their metabolites influence central nervous system (CNS) function. Among these metabolites, bile acids have emerged as key signaling molecules that modulate metabolic and neuroendocrine pathways. Microbiota-mediated modifications of bile acid [...] Read more.
The gut–brain axis is a bidirectional communication network in which gut microbiota and their metabolites influence central nervous system (CNS) function. Among these metabolites, bile acids have emerged as key signaling molecules that modulate metabolic and neuroendocrine pathways. Microbiota-mediated modifications of bile acid composition affect receptors such as farnesoid X receptor (FXR)and Takeda G protein-coupled receptor 5 (TGR5), thereby influencing neuronal activity, appetite control, glucose metabolism, and energy balance. Emerging evidence indicates that bile acids act both directly on the CNS and indirectly via endocrine and immune mediators, linking microbial metabolism to brain function. By integrating microbiological, metabolic, and neuroendocrine perspectives, bile acids can be viewed as critical messengers in the communication between the gut microbiota and the CNS. The purpose of this review is thus to synthesize current mechanisms underlying these interactions and highlight their therapeutic potential in metabolic and neurodegenerative disorders. Full article
(This article belongs to the Special Issue Bile Acids and Bile Acid Modifications in Health and Disease)
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17 pages, 3987 KB  
Article
Modeling and Simulation of Urban Heat Islands in Thimphu Thromde Using Artificial Neural Networks
by Sangey Pasang, Chimi Wangmo, Rigzin Norbu, Thinley Zangmo Sherpa, Tenzin Phuntsho and Rigtshel Lhendup
Atmosphere 2025, 16(12), 1410; https://doi.org/10.3390/atmos16121410 - 18 Dec 2025
Abstract
Urban Heat Islands (UHIs) are urbanized areas that experience significantly higher temperatures than their surroundings, contributing to thermal discomfort, increased air pollution, heightened public health risks, and greater energy demand. In Bhutan, where urban expansion is concentrated within narrow valley systems, the formation [...] Read more.
Urban Heat Islands (UHIs) are urbanized areas that experience significantly higher temperatures than their surroundings, contributing to thermal discomfort, increased air pollution, heightened public health risks, and greater energy demand. In Bhutan, where urban expansion is concentrated within narrow valley systems, the formation and intensification of UHIs present emerging challenges for climate-resilient urban development. Thimphu, in particular, is experiencing rapid urban growth and densification, making it highly susceptible to UHI effects. Therefore, the aim of this study was to evaluate and simulate UHI conditions for Thimphu Thromde. We carried out the simulation using a GIS, multi-temporal Landsat imagery, and an Artificial Neural Network model. Land use and land cover classes were mapped through supervised classification in the GIS, and surface temperatures associated with each class were derived from thermal bands of Landsat data. These temperature values were normalized to identify existing UHI patterns. An Artificial Neural Network (ANN) model was then applied to simulate future UHI distribution under expected land use change scenarios. The results indicate that, by 2031, built-up areas in Thimphu Thromde are expected to increase to 72.82%, while vegetation cover is projected to decline to 23.52%. Correspondingly, both UHI and extreme UHI zones are projected to expand, accounting for approximately 14.26% and 6.08% of the total area, respectively. Existing hotspots, particularly dense residential areas, commercial centers, and major institutional or public spaces, are expected to intensify. In addition, new UHI zones are likely to develop along the urban fringe, where expansion is occurring around the current hotspots. These study findings will be useful for Thimphu Thromde authorities in deciding the mitigation measures and pre-emptive strategies required to reduce UHI effects. Full article
(This article belongs to the Special Issue Urban Heat Islands, Global Warming and Effects)
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22 pages, 404 KB  
Article
Community-for-Care: An Integrated Response to Informal Post-Caregivers
by Catarina Inês Costa Afonso, Ana Spínola Madeira, Alcinda Reis and Susana Magalhães
Healthcare 2025, 13(24), 3318; https://doi.org/10.3390/healthcare13243318 - 18 Dec 2025
Abstract
Background/Objectives: Informal caregivers play a crucial role in healthcare, but when caregiving ends the “post-caregivers” often remain invisible and unsupported. Post-caregivers face needs such as reconstructing their identity and finding space and time to grieve. This study aimed to design a support network [...] Read more.
Background/Objectives: Informal caregivers play a crucial role in healthcare, but when caregiving ends the “post-caregivers” often remain invisible and unsupported. Post-caregivers face needs such as reconstructing their identity and finding space and time to grieve. This study aimed to design a support network for informal post-caregivers by exploring perceptions of diverse stakeholders. Methods: A qualitative inductive study was conducted using three focus groups (n = 15; ages 35–70; 12 women, 3 men) held online between June and July 2023. Participants included palliative care team members, home support professionals, general practitioners, informal caregivers, post-caregivers, and members of civil society. A semi-structured guide was used, and narratives were analyzed with a Narrative Medicine-informed approach and thematic analysis. Results: Community-For-Care emerged as an overarching and distinctive concept that, while aligned with the ethos of Compassionate Communities, specifically addresses the transition after caregiving ends, a phase largely absent from existing models. It symbolizes the “living forces of the community” mobilized to accompany informal post-caregivers through identity reconstruction, bereavement, and reintegration. Three interrelated thematic axes structure this concept: (1) Compassion Axis—emphasizing a compassionate community that values caregiving; (2) Coordinated Action Axis—highlighting coordinated, continuous support across healthcare and community services; and (3) Care Literacy Axis—underscoring education and training for caregivers, post-caregivers, and professionals. These axes dynamically interact to empower post-caregivers and stitch the holes in the support network. Conclusions: A community-centered, post-caregiver-focused framework such as Community-For-Care offers a novel extension of compassionate communities by directly addressing the loneliness, identity rupture, and invisibility that often characterize the transition after caregiving. Reinforcing compassion, coordinated action, and care literacy can enable communities to better acknowledge the contributions and ongoing needs of post-caregivers, supporting their emotional recovery, social reintegration, and reconstruction of daily life. By integrating these three axes into community practice, the model introduces a post-care-specific structure that can enhance well-being, reduce preventable health decline, and relieve pressure on formal services by mobilizing local, civic, and relational assets. Full article
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27 pages, 2804 KB  
Article
Intelligent Cooperative Perception Technology for Vehicles and Experiments Based on V2V/V2I Semantic Communication
by Cheng Li, Huiping Liu, Qiqi Jia, Lei Xiong and Hao Wu
Electronics 2025, 14(24), 4969; https://doi.org/10.3390/electronics14244969 - 18 Dec 2025
Abstract
In recent years, intelligent driving has attracted more and more attention due to its potential to revolutionize transportation safety and efficiency, emerging as a disruptive technology that reshapes the future landscape of transportation. Environmental perception serves as the primary and fundamental cornerstone of [...] Read more.
In recent years, intelligent driving has attracted more and more attention due to its potential to revolutionize transportation safety and efficiency, emerging as a disruptive technology that reshapes the future landscape of transportation. Environmental perception serves as the primary and fundamental cornerstone of intelligent driving systems. To address the intrinsic blind spots in environmental perception, this paper presents a vehicle collaborative perception approach based on Vehicle-to-Vehicle (V2V) and Vehicle-to-Infrastructure (V2I) semantic communication. Specifically, a Transformer-based semantic segmentation technique is proposed for application to images acquired from surrounding vehicles and ground-based cameras. Subsequently, the generated semantic segmentation maps are transmitted via V2V/V2I communication. In the receiver, a semantic-guided image reconstruction technique based on Generative Adversarial Networks (GANs) is developed to generate images with high realism. The generated Image images can be further fused with locally perceived data, facilitating intelligent collaborative perception. This method achieves effective elimination of blind spots. Furthermore, as only semantic segmentation maps—with a data size significantly smaller than that of raw images—are transmitted instead of the latter, it exhibits excellent adaptability to the dynamically time-varying characteristics of V2V/V2I channels. Even in poor channel condition, the proposed method maintains high reliability and real-time performance. Full article
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27 pages, 4351 KB  
Review
Wearable Sensor Technologies and Gait Analysis for Early Detection of Dementia: Trends and Future Directions
by Anna Tsiakiri, Spyridon Plakias, Georgios Giarmatzis, Georgia Tsakni, Foteini Christidi, Georgia Karakitsiou, Vasiliki Georgousopoulou, Georgios Manomenidis, Dimitrios Tsiptsios, Konstantinos Vadikolias, Nikolaos Aggelousis and Pinelopi Vlotinou
Sensors 2025, 25(24), 7669; https://doi.org/10.3390/s25247669 - 18 Dec 2025
Abstract
The progressive nature of dementia necessitates early detection strategies capable of identifying preclinical cognitive decline. Gait disturbances, mediated by higher-order cognitive functions, have emerged as potential digital biomarkers in this context. This bibliometric review systematically maps the scientific output from 2010 to 2025 [...] Read more.
The progressive nature of dementia necessitates early detection strategies capable of identifying preclinical cognitive decline. Gait disturbances, mediated by higher-order cognitive functions, have emerged as potential digital biomarkers in this context. This bibliometric review systematically maps the scientific output from 2010 to 2025 on the application of wearable sensor technologies and gait analysis in the early diagnosis of dementia. A targeted search of the Scopus database yielded 126 peer-reviewed studies, which were analyzed using VOSviewer for performance metrics, co-authorship networks, bibliographic coupling, co-citation, and keyword co-occurrence. The findings delineate a multidisciplinary research landscape, with major contributions spanning neurology, geriatrics, biomedical engineering, and computational sciences. Four principal thematic clusters were identified: (1) Cognitive and Clinical Aspects of Dementia, (2) Physical Activity and Mobility in Older Adults, (3) Technological and Analytical Approaches to Gait and Frailty and (4) Aging, Cognitive Decline, and Emerging Technologies. Despite the proliferation of research, significant gaps persist in longitudinal validation, methodological standardization, and integration into clinical workflows. This review emphasizes the potential of sensor-derived gait metrics to augment early diagnostic protocols and advocates for interdisciplinary collaboration to advance scalable, non-invasive diagnostic solutions for neurodegenerative diseases. Full article
(This article belongs to the Special Issue Advancing Human Gait Monitoring with Wearable Sensors)
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18 pages, 2942 KB  
Article
Structure-Based Identification of Ponganone V from Pongamia pinnata as a Potential KPC-2 β-Lactamase Inhibitor: Insights from Docking, ADMET, and Molecular Dynamics
by Himanshu Jangid, Chirag Chopra and Atif Khurshid Wani
Microbiol. Res. 2025, 16(12), 262; https://doi.org/10.3390/microbiolres16120262 - 18 Dec 2025
Abstract
Carbapenem-resistant Enterobacterales (CREs) pose a critical threat to global public health, largely driven by the enzymatic activity of Klebsiella pneumoniae carbapenemase-2 (KPC-2), a class A serine β-lactamase that hydrolyzes most β-lactam antibiotics. While β-lactamase inhibitors like avibactam offer temporary relief, emerging KPC variants [...] Read more.
Carbapenem-resistant Enterobacterales (CREs) pose a critical threat to global public health, largely driven by the enzymatic activity of Klebsiella pneumoniae carbapenemase-2 (KPC-2), a class A serine β-lactamase that hydrolyzes most β-lactam antibiotics. While β-lactamase inhibitors like avibactam offer temporary relief, emerging KPC variants demand novel, sustainable inhibitory scaffolds. This study aimed to identify and characterize potential natural inhibitors of KPC-2 from Pongamia pinnata, leveraging a comprehensive in silico workflow. A curated library of 86 phytochemicals was docked against the active site of KPC-2 (PDB ID: 3DW0). The top-performing ligands were subjected to ADMET profiling (pkCSM), and 100 ns molecular dynamics simulations (GROMACS) to evaluate structural stability and interaction persistence, using avibactam as control. Ponganone V exhibited the most favorable binding energy (−9.0 kcal/mol), engaging Ser70 via a hydrogen bond and forming π–π interactions with Trp105. Glabrachromene II demonstrated a broader interaction network but reduced long-term stability. ADMET analysis confirmed high intestinal absorption, non-mutagenicity, and absence of hERG inhibition for both ligands. Molecular dynamics simulations revealed that Ponganone V maintained compact structure and stable hydrogen bonding throughout the 100 ns trajectory, closely mirroring the behavior of avibactam, whereas Glabrachromene II displayed increased fluctuation and loss of compactness beyond 80 ns. Principal Component Analysis (PCA) further supported these findings, with Ponganone V showing restricted conformational motion and a single deep free energy basin, while avibactam and Glabrachromene II exhibited broader conformational sampling and multiple energy minima. The integrated computational findings highlight Ponganone V as a potent and pharmacologically viable natural KPC-2 inhibitor, with strong binding affinity, sustained structural stability, and minimal toxicity. This study underscores the untapped potential of Pongamia pinnata phytochemicals as future anti-resistance therapeutics and provides a rational basis for their experimental validation. Full article
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12 pages, 227 KB  
Review
Dynamic Interplay of Epithelial–Mesenchymal and Mesenchymal–Epithelial Transitions in Cochlear Development and Disease: Molecular Mechanisms and Therapeutic Implications
by Jingyi Zhu, Sihan Huang, Jifang Zhang, Tianyu Gong, Zhongyuan Fei, Penghui Chen, Shule Hou and Jun Yang
Biomedicines 2025, 13(12), 3115; https://doi.org/10.3390/biomedicines13123115 - 18 Dec 2025
Abstract
Epithelial–mesenchymal transition (EMT) and mesenchymal–epithelial transition (MET) are evolutionarily conserved cellular processes defined by reversible conversions between epithelial and mesenchymal phenotypes. As dynamic regulatory programs, they contribute to cell fate determination, tissue remodeling, and functional maturation during embryogenesis. In the cochlea, emerging evidence [...] Read more.
Epithelial–mesenchymal transition (EMT) and mesenchymal–epithelial transition (MET) are evolutionarily conserved cellular processes defined by reversible conversions between epithelial and mesenchymal phenotypes. As dynamic regulatory programs, they contribute to cell fate determination, tissue remodeling, and functional maturation during embryogenesis. In the cochlea, emerging evidence suggests that EMT/MET are implicated in certain aspects of sensory epithelium development. This review systematically dissects the molecular mechanisms underlying EMT and MET during cochlear development, along with the regulatory networks that control cell fate and signaling pathways. We further explore the emerging functions of these processes in cochlear pathologies, integrating recent advances to clarify their physiological and pathological relevance. By providing a comprehensive synthesis, this work aims to establish a theoretical framework for developing therapeutic strategies against related disorders. Full article
(This article belongs to the Section Molecular Genetics and Genetic Diseases)
25 pages, 673 KB  
Review
Nutrigenomics and Epigenetic Regulation in Poultry: DNA-Based Mechanisms Linking Diet to Performance and Health
by Muhammad Naeem and Arjmand Fatima
DNA 2025, 5(4), 60; https://doi.org/10.3390/dna5040060 - 18 Dec 2025
Abstract
In animals and humans, nutrients influence signaling cascades, transcriptional programs, chromatin dynamics, and mitochondrial function, collectively shaping traits related to growth, immunity, reproduction, and stress resilience. This review synthesizes evidence supporting nutrient-mediated regulation of DNA methylation, histone modifications, non-coding RNAs, and mitochondrial biogenesis, [...] Read more.
In animals and humans, nutrients influence signaling cascades, transcriptional programs, chromatin dynamics, and mitochondrial function, collectively shaping traits related to growth, immunity, reproduction, and stress resilience. This review synthesizes evidence supporting nutrient-mediated regulation of DNA methylation, histone modifications, non-coding RNAs, and mitochondrial biogenesis, and emphasizes their integration within metabolic and developmental pathways. Recent advances in epigenome-wide association studies (EWAS), single-cell multi-omics, and systems biology approaches have revealed how diet composition and timing can reprogram gene networks, sometimes across generations. Particular attention is given to central metabolic regulators (e.g., PPARs, mTOR) and to interactions among methyl donors, fatty acids, vitamins, and trace elements that maintain genomic stability and metabolic homeostasis. Nutrigenetic evidence further shows how genetic polymorphisms (SNPs) in loci such as IGF-1, MSTN, PPARs, and FASN alter nutrient responsiveness and influence traits like feed efficiency, body composition, and egg quality, information that can be exploited via marker-assisted or genomic selection. Mitochondrial DNA integrity and oxidative capacity are key determinants of feed conversion and energy efficiency, while dietary antioxidants and mitochondria-targeted nutrients help preserve bioenergetic function. The gut microbiome acts as a co-regulator of host gene expression through metabolite-mediated epigenetic effects, linking diet, microbial metabolites (e.g., SCFAs), and host genomic responses via the gut–liver axis. Emerging tools such as whole-genome and transcriptome sequencing, EWAS, integrated multi-omics, and CRISPR-based functional studies are transforming the field and enabling DNA-informed precision nutrition. Integrating genetic, epigenetic, and molecular data will enable genotype-specific feeding strategies, maternal and early-life programming, and predictive models that enhance productivity, health, and sustainability in poultry production. Translating these molecular insights into practice offers pathways to enhance animal welfare, reduce environmental impact, and shift nutrition from empirical feeding toward mechanistically informed precision approaches. Full article
(This article belongs to the Special Issue Epigenetics and Environmental Exposures)
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