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Keywords = structure elucidation

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23 pages, 6505 KB  
Article
Study of the Equivalent Stiffness of a Non-Contact Piezoelectric Actuator’s Micro-Displacement Amplification Mechanism
by Huaiyong Li, Dongya Zhang, Yusheng Lin, Yue Yang, Zhiwei Shi and Chong Li
Micromachines 2025, 16(9), 974; https://doi.org/10.3390/mi16090974 (registering DOI) - 25 Aug 2025
Abstract
To address the issues of mechanical wear and limited service life in conventional contact piezoelectric actuators, this study proposes a non-contact piezoelectric actuator employing compressed air for energy transmission; we elucidate its structure and operating principle. The working performance of the actuator is [...] Read more.
To address the issues of mechanical wear and limited service life in conventional contact piezoelectric actuators, this study proposes a non-contact piezoelectric actuator employing compressed air for energy transmission; we elucidate its structure and operating principle. The working performance of the actuator is significantly affected by the amplification performance of its micro-displacement amplification mechanism, which itself is closely dependent on the mechanism’s stiffness. Mathematical models for both the filleted straight-beam flexure hinge and the micro-displacement amplification mechanism are established. Analytical equations for calculating the equivalent stiffness of the hinge and the mechanism are derived. The variations in the hinge’s bending stiffness and tensile stiffness, as well as the mechanism’s equivalent stiffness with key structural parameters, are investigated. The stress distribution of the micro-displacement amplification mechanism is analyzed to evaluate the rationality and reliability of its structural design. A prototype is fabricated and equivalent stiffness tests are conducted. The theoretical calculation is basically consistent with the experimental results, verifying the accuracy of the stiffness model. The results show that flexure hinge tensile stiffness significantly exceeds the bending stiffness, permitting the simplification of the hinge stiffness model. Hinge minimum thickness and beam length critically affect mechanism stiffness; reducing thickness or increasing beam length lowers stiffness, boosting displacement amplification. Full article
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17 pages, 4213 KB  
Article
Physical Mechanisms of Linear and Nonlinear Optical Responses in Ferrocene-Embedded Cycloparaphenylenes
by Gang Zhang, Qianqian Wang, Yi Zou, Ying Jin and Jingang Wang
Chemistry 2025, 7(5), 136; https://doi.org/10.3390/chemistry7050136 (registering DOI) - 25 Aug 2025
Abstract
This study employs molecular orbital (MO) analysis, density of states (DOS) analysis, and advanced techniques such as charge density difference (CDD), transition density matrix (TDM), transition electric dipole moment density (TEDM), and transition magnetic dipole moment density (TMDM) to systematically investigate the electronic [...] Read more.
This study employs molecular orbital (MO) analysis, density of states (DOS) analysis, and advanced techniques such as charge density difference (CDD), transition density matrix (TDM), transition electric dipole moment density (TEDM), and transition magnetic dipole moment density (TMDM) to systematically investigate the electronic structure characteristics of Fc-[8]CPP and Fc-[11]CPP. Using density functional theory (DFT) and time-dependent DFT (TD-DFT), the π-electron delocalization properties and optical behaviors of these molecules were analyzed. Furthermore, their responses to external electromagnetic fields were explored through electronic circular dichroism (ECD) and Raman spectroscopy, comparing chiral optical responses and electron–vibration coupling effects to elucidate their photophysical properties. The results reveal that the HOMO-LUMO energy gaps of Fc-[8]CPP and Fc-[11]CPP are 5.81 eV and 5.95 eV, respectively, with a slight increase as ring size grows; Fc-[8]CPP exhibits a stronger chiral response, while Fc-[11]CPP shows reduced chirality due to enhanced symmetry. Finally, TD-DFT calculations demonstrate that their optical absorption is dominated by localized excitations with partial charge transfer contributions. These findings provide a theoretical foundation for designing conjugated macrocyclic materials with superior optoelectronic performance. Full article
(This article belongs to the Section Theoretical and Computational Chemistry)
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18 pages, 2756 KB  
Article
Triboelectric-Enhanced Piezoelectric Nanogenerator with Pressure-Processed Multi-Electrospun Fiber-Based Polymeric Layer for Wearable and Flexible Electronics
by Inkyum Kim, Jonghyeon Yun, Geunchul Kim and Daewon Kim
Polymers 2025, 17(17), 2295; https://doi.org/10.3390/polym17172295 (registering DOI) - 25 Aug 2025
Abstract
A triboelectricity-enhanced piezoelectric nanogenerator (PENG) based on pressure-processed multi-electrospun polymeric layers is herein developed for efficient vibrational energy harvesting. The hybridization of piezoelectric and triboelectric mechanisms through electrospinning has been utilized to enhance electrical output by increasing contact areas and promoting alignment within [...] Read more.
A triboelectricity-enhanced piezoelectric nanogenerator (PENG) based on pressure-processed multi-electrospun polymeric layers is herein developed for efficient vibrational energy harvesting. The hybridization of piezoelectric and triboelectric mechanisms through electrospinning has been utilized to enhance electrical output by increasing contact areas and promoting alignment within piezoelectric materials. A multi-layer structure comprising alternating poly (vinylidene fluoride) (PVDF) and poly (hexamethylene adipamide) (PA 6/6) exhibits superior electrical performance. A lateral Janus configuration, providing distinct positive and negative triboelectric polarities, has further optimized device efficiency. This approach introduces a novel operational mechanism, enabling superior performance compared to conventional methods. The fiber-based architecture ensures exceptional flexibility, low weight, and a high surface-to-volume ratio, enabling enhanced energy harvesting. Experimentally, the PENG achieved an open-circuit voltage of 14.59 V, a short-circuit current of 205.7 nA, and a power density of 7.5 mW m−2 at a resistance of 30 MΩ with a five-layer structure subjected to post-processing under pressure. A theoretical model has mathematically elucidated the output results. Long-term durability (over 345,600 cycles) has confirmed its robustness. Demonstrations of practical applications include monitoring human joint motion and respiratory activity. These results highlight the potential of the proposed triboelectricity-enhanced PENG for vibrational energy harvesting in flexible and wearable electronic systems. Full article
(This article belongs to the Special Issue Advances in Polymer Composites for Nanogenerator Applications)
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12 pages, 805 KB  
Article
OSMAC-Driven Discovery of Six New Alkaloids from the Cold-Seep-Derived Fungus Talaromyces amestolkiae HDN21-0307
by Xinsheng Huang, Jiajin Wu, Luning Zhou, Zhengjie Wang, Qian Che, Liangzhen Chen, Wenxue Wang, Tianjiao Zhu and Dehai Li
Mar. Drugs 2025, 23(9), 337; https://doi.org/10.3390/md23090337 - 25 Aug 2025
Abstract
Six new alkaloid compounds, including two rare aromatic nitrile compounds talaronitriles A–B (12), a novel oxime-functionalized azadiphilone analogue talarooxime A (3), a new phenylhydrazone alkaloid talarohydrazone E (4), and two new dipeptide compounds talarodipeptides A–B [...] Read more.
Six new alkaloid compounds, including two rare aromatic nitrile compounds talaronitriles A–B (12), a novel oxime-functionalized azadiphilone analogue talarooxime A (3), a new phenylhydrazone alkaloid talarohydrazone E (4), and two new dipeptide compounds talarodipeptides A–B (56), were isolated from the deep-sea cold-seep-derived fungus Talaromyces amestolkiae HDN21-0307 via OSMAC approach. Compound 1 is the first natural naphthalene compound with cyano groups. Compound 3 represents the first natural product containing an oxime-functionalized azadiphilone scaffold. Their structures and absolute configurations were elucidated through spectroscopic data analysis and quantum chemical calculations. Notably, compound 3 demonstrated moderate DPPH free-radical-scavenging activity, with an IC50 value of 29.41 μM. Full article
(This article belongs to the Section Structural Studies on Marine Natural Products)
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18 pages, 2589 KB  
Article
Synthesis of Nb-Doped TiO2 Nanoparticles for Photocatalytic Degradation of Ciprofloxacin: A Combined Experimental and DFT Approach
by Bouthaina Shili, Othmen Khaldi, Cristian Mendes-Felipe, Maibelin Rosales, Dinis C. Alves, Pedro M. Martins, Rached Ben Younes and Senentxu Lanceros-Mendez
Nanomaterials 2025, 15(17), 1307; https://doi.org/10.3390/nano15171307 (registering DOI) - 25 Aug 2025
Abstract
The persistence of pharmaceutical pollutants such as ciprofloxacin (CIP) in aquatic environments represents a critical environmental threat due to their potential to induce antimicrobial resistance. Photocatalysis using TiO2-based materials offers a promising solution for their mineralization; however, the limited visible-light response [...] Read more.
The persistence of pharmaceutical pollutants such as ciprofloxacin (CIP) in aquatic environments represents a critical environmental threat due to their potential to induce antimicrobial resistance. Photocatalysis using TiO2-based materials offers a promising solution for their mineralization; however, the limited visible-light response of TiO2 and charge carrier recombination restricts its overall efficiency. In this study, Nb-doped TiO2 nanoparticles were synthesized via the sol–gel method, incorporating Nb5+, ions into the TiO2 lattice to modulate the structural and electronic properties of TiO2 to enhance its photocatalytic performance for CIP degradation under UV and visible irradiation. Comprehensive structural, morphological, and optical analyses revealed that Nb incorporation stabilizes the anatase phase, reduces particle size (from 21.42 nm to 10.29 nm), and induces a slight band gap widening (from 2.85 to 2.87 eV) due to the Burstein–Moss effect. Despite this blue shift, Nb-TiO2 exhibited significantly improved photocatalytic activity under visible light, achieving 86% CIP degradation with a reaction rate 16 times higher than that of undoped TiO2. This enhancement was attributed to improved charge separation and higher hydroxyl radical (OH) generation, driven by excess conduction band electrons introduced by Nb doping. Density Functional Theory (DFT) calculations further elucidated the electronic structure modifications responsible for this behavior, offering molecular-level insights into Nb dopant-induced property tuning. These findings demonstrate how targeted doping strategies can engineer multifunctional nanomaterials with superior photocatalytic efficiencies, especially under visible light, highlighting the synergy between experimental design and theoretical modeling for environmental applications. Full article
(This article belongs to the Section Energy and Catalysis)
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25 pages, 1484 KB  
Review
Expression of CD44 and Its Spliced Variants: Innate and Inducible Roles in Nervous Tissue Cells and Their Environment
by Maria Concetta Geloso, Francesco Ria, Valentina Corvino and Gabriele Di Sante
Int. J. Mol. Sci. 2025, 26(17), 8223; https://doi.org/10.3390/ijms26178223 - 24 Aug 2025
Abstract
CD44, a structurally diverse cell-surface glycoprotein, plays a multifaceted and indispensable role in neural tissue across both physiological and pathological conditions. It orchestrates complex cell–extracellular matrix interactions and intracellular signaling through its variant isoforms and post-translational modifications and is broadly expressed in neural [...] Read more.
CD44, a structurally diverse cell-surface glycoprotein, plays a multifaceted and indispensable role in neural tissue across both physiological and pathological conditions. It orchestrates complex cell–extracellular matrix interactions and intracellular signaling through its variant isoforms and post-translational modifications and is broadly expressed in neural stem/progenitor cells, microglia, astrocytes, and selected neuronal populations. The interactions of CD44 with ligands such as hyaluronan and osteopontin regulate critical cellular functions, including migration, differentiation, inflammation, and synaptic plasticity. In microglia and macrophages, CD44 mediates immune signaling and phagocytic activity, and it is dynamically upregulated in neuroinflammatory diseases, particularly through pathways involving Toll-like receptor 4. CD44 expression in astrocytes is abundant during central nervous system development and in diseases, contributing to glial differentiation, reactive astrogliosis, and scar formation. Though its expression is less prominent in mature neurons, CD44 supports neural plasticity, circuit organization, and injury-induced repair mechanisms. Additionally, its expression at nervous system barriers, such as the blood–brain barrier, underscores its role in regulating vascular permeability during inflammation and ischemia. Collectively, CD44 emerges as a critical integrator of neural cell function and intercellular communication. Although the roles of CD44 in glial cells appear to be similar to those explored in other tissues, the expression of this molecule and its variants on neurons reveals peculiar functions. Elucidating the cell-type-specific roles and regulation of CD44 variants may offer novel therapeutic strategies for diverse neurological disorders. Full article
(This article belongs to the Collection Feature Papers in Molecular Neurobiology)
21 pages, 2417 KB  
Article
Ethylene-Mediated Drought Tolerance in the Critically Endangered Artocarpus nanchuanensis: Insights from Physiological and Transcriptomic Analyses
by Zhe Zhang, Yunli Chen, Fang Yang, Kunjian Yang, Wenqiao Li, Xiao Zhang, Wanhong Liu and Hongping Deng
Plants 2025, 14(17), 2636; https://doi.org/10.3390/plants14172636 - 24 Aug 2025
Abstract
Drought stress limits seedling growth, hindering morphological development and population establishment. Artocarpus nanchuanensis, a critically endangered species endemic to the karst regions of southwest China, exhibits poor population structure and limited natural regeneration in the wild, with water deficit during the seedling [...] Read more.
Drought stress limits seedling growth, hindering morphological development and population establishment. Artocarpus nanchuanensis, a critically endangered species endemic to the karst regions of southwest China, exhibits poor population structure and limited natural regeneration in the wild, with water deficit during the seedling stage identified as a major factor contributing to its endangered status. Elucidating the physiological and molecular mechanisms underlying drought tolerance in A. nanchuanensis seedlings is essential for improving their drought adaptability and facilitating population recovery. In this study, 72 two-year-old seedlings were divided into two groups: drought (PEG) and ethephon (PEG + Ethephon), and subjected to drought-rehydration experiments. The results showed that exogenous application of 100 mg·L−1 ethephon significantly improved stomatal conductance and photosynthetic pigment content in A. nanchuanensis seedlings. Under drought stress, the PEG + Ethephon group exhibited rapid stomatal closure, maintaining water balance and higher photosynthetic pigment levels. After rehydration, the PEG + Ethephon group significantly outperformed the PEG group in terms of photosynthetic rate. Ethephon treatment reduced H2O2 and MDA levels, enhanced antioxidant enzyme activity (SOD, CAT, POD, GR), and increased osmotic regulator activity (soluble sugars, soluble proteins, and proline), improving ROS-scavenging capacity and reducing oxidative damage. Ethephon application significantly enhanced ethylene accumulation in seedlings, while drought stress stimulated the concentrations of key ethylene biosynthetic enzymes (SAMS, ACS, and ACO), thereby further contributing to improved drought resistance. Transcriptomic data revealed that drought stress significantly upregulated key ethylene biosynthesis genes, with expression levels increasing with stress duration and rapidly decreasing after rehydration. WGCNA analysis identified eight key drought-resistance genes, providing valuable targets for future research. This study provides the first mechanistic insight into the physiological and molecular responses of A. nanchuanensis seedlings to drought and rehydration, underscoring the central role of endogenous ethylene in drought tolerance. Ethephon treatment effectively enhanced ethylene accumulation and biosynthetic enzyme activity, thereby improving drought adaptability. These findings lay a theoretical foundation for subsequent molecular functional studies and the conservation biology of this endangered species. Full article
(This article belongs to the Section Plant Physiology and Metabolism)
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16 pages, 1544 KB  
Article
Chemistry and Diversity of Nitrogen-Containing Metabolites in Heliotropium procumbens: A Genus-Wide Comparative Profile
by Kalliopi-Maria Ozntamar-Pouloglou, Evgenia Panou, Tomasz Mroczek, Nikola Milic, Konstantia Graikou, Christos Ganos, Nikolas Fokialakis, George-Albert Karikas and Ioanna Chinou
Separations 2025, 12(9), 225; https://doi.org/10.3390/separations12090225 - 24 Aug 2025
Abstract
Heliotropium procumbens, a Boraginaceae species native to Panama, has remained largely unexplored regarding its nitrogen-containing metabolites, including pyrrolizidine alkaloids (PAs). In the current study, a comprehensive phytochemical investigation of its aerial parts is presented using HPLC-DAD-IT-MS, UHPLC–HRMS, and GC-MS primarily to profile [...] Read more.
Heliotropium procumbens, a Boraginaceae species native to Panama, has remained largely unexplored regarding its nitrogen-containing metabolites, including pyrrolizidine alkaloids (PAs). In the current study, a comprehensive phytochemical investigation of its aerial parts is presented using HPLC-DAD-IT-MS, UHPLC–HRMS, and GC-MS primarily to profile its PA composition. A total of twelve PAs and N-oxides (PANOs) were identified, along with two phenolamides—including N1, N10-diferuloylspermidine, which is biosynthetically related to PAs—and the distinctive metabolite heliotropamide. The detected PAs included unsaturated necines, primarily monoesters of retronecine and heliotridine, as well as saturated PAs such as a platynecine-type PA and the less commonly encountered triol necines and their N-oxides. Among these, helifoline-N-oxide was isolated and structurally elucidated by NMR spectroscopy for the first time as a natural product. Comparison with the chemodiversity of PAs within the Heliotropium genus revealed a high degree of diversity in H. procumbens, which can be attributed both to the species’ inherent biosynthetic capacity for chemical variation and to the more comprehensive and extensive studies conducted on it, which naturally enrich the apparent diversity observed. This work expands the phytochemical knowledge of H. procumbens and contributes to a broader understanding of PA diversity in the genus, offering new insights into their potential ecological and toxicological significance. Full article
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32 pages, 14323 KB  
Article
Analysis of the Spatiotemporal Variation Characteristics and Driving Forces of Crops in the Yellow River Basin from 2000 to 2023
by Chunhui Xu, Zongshun Tian, Yuefeng Lu, Zirui Yin and Zhixiu Du
Remote Sens. 2025, 17(17), 2934; https://doi.org/10.3390/rs17172934 - 23 Aug 2025
Viewed by 86
Abstract
In the context of global climate change and growing food security challenges, this study provides a comprehensive analysis of the yields of three staple crops (wheat, corn and rice) in the Yellow River Basin of China, employing multiple quantitative analysis methods including the [...] Read more.
In the context of global climate change and growing food security challenges, this study provides a comprehensive analysis of the yields of three staple crops (wheat, corn and rice) in the Yellow River Basin of China, employing multiple quantitative analysis methods including the Mann–Kendall trend test, center of gravity transfer model and hotspot analysis. Our research integrates yield data covering these three crops from 72 prefecture-level cities across the Yellow River Basin, during 2000 to 2023, to systematically examine the temporal variation, spatial variation and spatial agglomeration characteristics of the yields. The study uses GeoDetector to explore the impacts of natural and socioeconomic factors on changes in crop yields from both single-factor and interactive-factor perspectives. While traditional statistical methods often struggle to simultaneously handle complex causal relationships among multiple factors, particularly in effectively distinguishing between direct and indirect influence paths or accounting for the transmission effects of factors through mediating variables, this study adopts Structural Equation Modeling (SEM) to identify which factors directly affect crop yields and which exert indirect effects through other factors. This approach enables us to elucidate the path relationships and underlying mechanisms governing crop yields, thereby revealing the direct and indirect influences among multiple factors. This study conducted an analysis using Structural Equation Modeling (SEM), classifying the intensity of influence based on the absolute value of the impact factor (with >0.3 defined as “strong”, 0.1–0.3 as “moderate” and <0.1 as “weak”), and distinguishing the nature of influence by the positive or negative value (positive values indicate promotion, negative values indicate inhibition). The results show that among natural factors, temperature has a moderate promoting effect on wheat (0.21) and a moderate inhibiting effect on corn (−0.25); precipitation has a moderate inhibiting effect on wheat (−0.28) and a moderate promoting effect on rice (0.17); DEM has a strong inhibiting effect on wheat (−0.33) and corn (−0.58), and a strong promoting effect on rice (0.38); slope has a moderate inhibiting effect on wheat (−0.15) and a moderate promoting effect on corn (0.15). Among socioeconomic factors, GDP has a weak promoting effect on wheat (0.01) and a moderate inhibiting effect on rice (−0.20), while the impact of population is relatively small. In terms of indirect effects, slope indirectly inhibits wheat (−0.051, weak) and promotes corn (0.149, moderate) through its influence on temperature; DEM indirectly promotes rice (0.236, moderate) through its influence on GDP and precipitation. In terms of interaction effects, the synergy between precipitation and temperature has the highest explanatory power for wheat and rice, while the synergy between DEM and precipitation has the strongest explanatory power for corn. The study further analyzes the mechanisms of direct and indirect interactions among various factors and finds that there are significant temporal and spatial differences in crop yields in the Yellow River Basin, with natural factors playing a leading role and socioeconomic factors showing dynamic regulatory effects. These findings provide valuable insights for sustainable agricultural development and food security policy-making in the region. Full article
34 pages, 8321 KB  
Article
Differential Expression of Erythrocyte Proteins in Patients with Alcohol Use Disorder
by İ. İpek Boşgelmez, Gülin Güvendik, Nesrin Dilbaz and Metin Esen
Int. J. Mol. Sci. 2025, 26(17), 8199; https://doi.org/10.3390/ijms26178199 - 23 Aug 2025
Viewed by 50
Abstract
Alcohol Use Disorder (AUD) poses global health challenges, and causes hematological alterations such as macrocytosis and oxidative stress. Disruption of protein structures by alcohol and/or its metabolites may exacerbate AUDs; proteomics can elucidate the underlying biological mechanisms. This study examined the proteins differentially [...] Read more.
Alcohol Use Disorder (AUD) poses global health challenges, and causes hematological alterations such as macrocytosis and oxidative stress. Disruption of protein structures by alcohol and/or its metabolites may exacerbate AUDs; proteomics can elucidate the underlying biological mechanisms. This study examined the proteins differentially expressed in the cytosol and membrane fractions of erythrocytes obtained from 30 male patients with AUD, comparing them to samples from 15 age- and BMI-matched social drinkers (SDs) and 15 non-drinkers (control). The analysis aimed to identify the molecular differences related to alcohol consumption. The AUD patient subgrouping was based on mean corpuscular volume (MCV), with 16 individuals classified as having a normal MCV and 14 having a high MCV. Proteins were separated via two-dimensional(2D)-gel electrophoresis, digested with trypsin, and identified via Matrix-Assisted Laser Desorption/Ionization Time-of-Flight (TOF) mass spectrometry (MALDI-TOF/TOF). Additionally, levels of malondialdehyde and 4-hydroxyalkenals (MDA + HAE), reduced glutathione (GSH), oxidized glutathione (GSSG), serum carbohydrate-deficient transferrin (%CDT), disialotransferrin (%DST), and sialic acid (SA) were analyzed. The results showed increased MDA + HAE and decreased total thiols in AUD patients, with GSSG elevated and the GSH/GSSG ratio reduced in the AUD MCV-high subgroup. Serum %CDT, %DST, and SA were significantly higher in AUD. Compared to the control profiles, the AUD group exhibited differential protein expression. Few proteins, such as bisphosphoglycerate mutase, were downregulated in AUD versus control and SD, as well as in the MCV-high AUD subgroup. Conversely, endoplasmin and gelsolin were upregulated in AUD relative to control. Cytoskeletal proteins, including spectrin-alpha chain, actin cytoplasmic 2, were overexpressed in the AUD group and MCV-high AUD subgroup. Several proteins, such as 14-3-3 isoforms, alpha-synuclein, translation initiation factors, heat shock proteins, and others, were upregulated in the MCV-high AUD subgroup. Under-expressed proteins in this subgroup include band 3 anion transport protein, bisphosphoglycerate mutase, tropomyosin alpha-3 chain, uroporphyrinogen decarboxylase, and WD repeat-containing protein 1. Our findings highlight the specific changes in protein expression associated with oxidative stress, cytoskeletal alterations, and metabolic dysregulation, specifically in AUD patients with an elevated MCV. Understanding these mechanisms is crucial for developing targeted interventions and identifying biomarkers of alcohol-induced cellular damage. The complex interplay between oxidative stress, membrane composition, and cellular function illustrates how chronic alcohol exposure affects cellular physiology. Full article
(This article belongs to the Section Molecular Biology)
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18 pages, 6259 KB  
Article
Wind-Induced Bending Characteristics of Crop Leaves and Their Potential Applications in Air-Assisted Spray Optimization
by Zhouming Gao, Jing Ma, Wei Hu, Kaiyuan Wang, Kuan Liu, Jian Chen, Tao Wang, Xiaoya Dong and Baijing Qiu
Horticulturae 2025, 11(9), 1002; https://doi.org/10.3390/horticulturae11091002 - 23 Aug 2025
Viewed by 96
Abstract
Crop leaves naturally exhibit a curved morphology and primarily display bending deformation and vibrational responses under wind load. The curved surface structure of leaves plays a critical role in the deposition and retention of pesticide droplets. In this study, wind tunnel experiments combined [...] Read more.
Crop leaves naturally exhibit a curved morphology and primarily display bending deformation and vibrational responses under wind load. The curved surface structure of leaves plays a critical role in the deposition and retention of pesticide droplets. In this study, wind tunnel experiments combined with high-speed photography and digital image analysis were conducted to systematically investigate the curvature and flexibility distributions of three typical crop leaves: walnut, peach, and pepper, across a range of wind speeds. The results indicate that with increasing wind speed, all three types of leaves gradually transition from smooth, uniform bending to a multi-peak pattern of pronounced local curvature, with increasingly prominent nonlinear deformation characteristics. Moreover, once the wind speed exceeds the critical threshold of 6 m/s, the primary deformation region generally shifts from the leaf base to the tip. For example, the maximum curvature of walnut leaves increased from 0.018 mm−1 to 0.047 mm−1, and that of pepper leaves from 0.031 mm−1 to 0.101 mm−1, both more than double their original values. In addition, all three types of leaves demonstrated a distinct structural gradient characterized by strong basal rigidity and high apical flexibility. The tip flexibility values exceeded 1.5 × 10−5, 4 × 10−4, and 5.6 × 10−4 mm−2·mN−1 for walnut, peach, and pepper leaves, respectively. These findings elucidate the mechanical response mechanisms of non-uniform flexible crop leaves under wind-induced bending and provide a theoretical basis and data support for the optimization of air-assisted spraying parameters. Full article
(This article belongs to the Special Issue New Technologies Applied in Horticultural Crop Protection)
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16 pages, 1425 KB  
Article
Raloxifene-Loaded Lipid Nanovesicles: A Journey to Select the Optimal Nanocarrier Formulation Through Characterization and Cytotoxic Analysis
by Jana K ALwattar, Mohammad Ahmad Assi, Sahar Nasser, Mohamad Rahal and Mohammed M. Mehanna
Biomedicines 2025, 13(9), 2056; https://doi.org/10.3390/biomedicines13092056 - 23 Aug 2025
Viewed by 90
Abstract
Background/Objectives: Cancer ranks as the second most prevalent cause of death worldwide, according to the World Health Organization. Approximately one in six global deaths is attributed to cancer. Among females, breast cancer stands out as the most frequent type of tumor. Raloxifene [...] Read more.
Background/Objectives: Cancer ranks as the second most prevalent cause of death worldwide, according to the World Health Organization. Approximately one in six global deaths is attributed to cancer. Among females, breast cancer stands out as the most frequent type of tumor. Raloxifene (RLX), recognized as a selective estrogen receptor modulator, has been employed as a therapeutic option in treating breast cancer among postmenopausal women. The objective of this study was to investigate the anticancer potential of raloxifene-loaded hexosomes, nanoliposomes, and nanoniosomes to identify the most effective formulation. Methods: The particle size, zeta potential, entrapment efficiency, and structural elucidation of the various nanovesicle formulations was validated; Results: Each nanocarrier exhibited a negative surface charge, nanometric size, and a reasonable encapsulation efficiency. Cytotoxicity of the different raloxifene-loaded nanovesicles on MCF-7 breast cancer cell lines and MCF10 non tumorigenic cells revealed the substantial cytotoxic activity of the hexosomal nanocarrier compared to the other nanovesicles, exhibiting the lowest IC50 = 45.3 ± 1.10 µM. Conclusions: The RLX-loaded hexosomal formulation showed superior cytotoxic activity, indicating its potential as a highly effective therapeutic agent. To fully understand its capabilities and mechanisms, further in vitro characterization studies are necessary. Full article
(This article belongs to the Special Issue Nano-Based Drug Delivery and Drug Discovery)
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21 pages, 778 KB  
Article
Dynamical Systems Analysis of Timelike Geodesics in a Lorentz-Violating Black Hole Spacetime
by Aqeela Razzaq, Jianwen Liu and Fabao Gao
Universe 2025, 11(9), 283; https://doi.org/10.3390/universe11090283 - 23 Aug 2025
Viewed by 63
Abstract
This paper investigates the global dynamics of timelike geodesics of a spherically symmetric black hole under Lorentz-violating effects governed by parameters λ (scaling exponent) and Υ (Lorentz violation strength). By employing dynamical system techniques, including Poincaré compactification and blow-up methods, we systematically explore [...] Read more.
This paper investigates the global dynamics of timelike geodesics of a spherically symmetric black hole under Lorentz-violating effects governed by parameters λ (scaling exponent) and Υ (Lorentz violation strength). By employing dynamical system techniques, including Poincaré compactification and blow-up methods, we systematically explore finite and infinite equilibrium states of the system derived from a black hole solution with power-law corrections to the Schwarzschild metric. For varying λ (ranging from −2 to 2) and fixed Υ values, we classify the nature of equilibrium states (saddle, center, and node) and analyze their stability. Key findings reveal that the number of equilibrium states increases as λ decreases: two states for λ=2, three for λ=1, four for λ=2/3, and additional configurations for λ=2. The phase plane diagrams and global dynamics demonstrate distinct topological structures, including attractors at infinity and multi-horizon black hole solutions. Furthermore, degenerate equilibrium states at infinity are resolved through directional blow-ups, elucidating their non-hyperbolic behavior. This study highlights the critical role of Lorentz-violating parameters in shaping the stability and long-term evolution of timelike geodesics, offering new insights into modified black hole physics and spacetime dynamics. Full article
(This article belongs to the Section Cosmology)
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17 pages, 1861 KB  
Article
Genome-Wide Association Study of Osteoporosis Risk in Korean Pre-Menopausal Women: The Korean Genome and Epidemiology Study
by Su Kang Kim, Seoung-Jin Hong, Gyutae Kim, Ju Yeon Ban and Sang Wook Kang
Int. J. Mol. Sci. 2025, 26(17), 8177; https://doi.org/10.3390/ijms26178177 (registering DOI) - 22 Aug 2025
Viewed by 178
Abstract
Osteoporosis is a common disease characterized by a reduction in bone mineral density (BMD), leading to an increased risk of pathological fractures and even mortality. Although menopause is a major risk factor, osteoporosis can also occur in premenopausal women. The aim of this [...] Read more.
Osteoporosis is a common disease characterized by a reduction in bone mineral density (BMD), leading to an increased risk of pathological fractures and even mortality. Although menopause is a major risk factor, osteoporosis can also occur in premenopausal women. The aim of this study was to identify genetic variants associated with the development of osteoporosis in Korean premenopausal women. Subjects were recruited from the Anseong and Ansan cohorts of the Korean Genome and Epidemiology Study (KoGES). Clinical and epidemiological characteristics were assessed, and participants were classified based on BMD values measured at the distal radius and mid-shaft tibia. Individuals with confounding risk factors such as low body weight, smoking, high alcohol consumption, steroid/hormone therapy, or relevant medical history were excluded. A total of 247 healthy controls and 57 osteoporosis patients were included. Genotyping was performed using the Illumina Infinium HumanExome BeadChip and the Affymetrix Axiom Exome Array. Data were analyzed using the SNP and Variation Suite and PLINK, with quality control thresholds set at MAF ≥ 0.05 and HWE p ≥ 0.01. Functional annotation and protein structure predictions were performed using PolyPhen-2, SIFT, and PROVEAN. Genome-wide association analyses identified 113 single-nucleotide polymorphisms (SNPs) in 69 genes significantly associated with osteoporosis (p < 0.05) in both platforms, with 18 SNPs showing high cross-platform consistency (p < 0.01). Several of these genes were implicated in bone metabolism (e.g., ESRRG, PECAM1, COL6A5), vitamin D metabolism (e.g., NADSYN1, EFTUD1), skeletal muscle function (e.g., PACSIN2, ESRRG), and reproductive processes (e.g., CPEB1, EFCAB6, ASXL3). Notably, the CPEB1 rs783540 SNP exhibited the strongest association (p < 0.001) in both analyses. Our findings suggest that genetic polymorphisms in pathways related to bone metabolism, vitamin D signaling, muscle–bone interaction, and reproductive hormone regulation may contribute to the development of osteoporosis in Korean premenopausal women. These results provide a genetic basis for early identification of at-risk individuals and warrant further functional studies to elucidate the underlying mechanisms. Full article
(This article belongs to the Special Issue Molecular Biology of Osteoporosis)
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Article
Mechanisms of Spatial Coupling Between Plantation Species Distribution and Historical Disturbance in the Complex Topography of Eastern Yunnan
by Xiyu Zhang, Chao Zhang and Lianjin Fu
Remote Sens. 2025, 17(17), 2925; https://doi.org/10.3390/rs17172925 - 22 Aug 2025
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Abstract
Forest disturbance is a major driver shaping the structure and function of plantation ecosystems. Current research predominantly focuses on single forest types or landscape scales. However, species-level fine-scale assessments of disturbance dynamics are still scarce. In this study, we investigated Chinese fir ( [...] Read more.
Forest disturbance is a major driver shaping the structure and function of plantation ecosystems. Current research predominantly focuses on single forest types or landscape scales. However, species-level fine-scale assessments of disturbance dynamics are still scarce. In this study, we investigated Chinese fir (Cunninghamia lanceolata), Armand pine (Pinus armandii), and Yunnan pine (Pinus yunnanensis) plantations in the mountainous eastern Yunnan Plateau. We developed a Spatial Coupling Framework of Disturbance Legacy (SC-DL) to systematically elucidate the spatial associations between contemporary species distribution patterns and historical disturbance regimes. Using the Google Earth Engine (GEE) platform, we reconstructed pixel-level disturbance trajectories by integrating long-term Landsat time series (1993–2024) and applying the LandTrendr algorithm. By fusing multi-source remote sensing features (Sentinel-1/2) with terrain factors, employing RFE, and performing a multi-model comparison, we generated 10 m-resolution species distribution maps for 2024. Spatial overlay analysis quantified the cumulative proportion of the historically disturbed area and the spatial aggregation patterns of historical disturbances within current species ranges. Key results include the following: (1) The model predicting disturbance year achieved high accuracy (R2 = 0.95, RMSE = 2.02 years, MAE = 1.15 years). The total disturbed area from 1993 to 2024 was 872.7 km2, exhibiting three distinct phases. (2) The random forest (RF) model outperformed other classifiers, achieving an overall accuracy (OA) of 95.17% and a Kappa coefficient (K) of 0.93. Elevation was identified as the most discriminative feature. (3) Significant spatial differentiation in disturbance types emerged: anthropogenic disturbances (e.g., logging and reforestation/afforestation) dominated (63.1% of total disturbed area), primarily concentrated within Chinese fir zones (constituting 70.2% of disturbances within this species’ range). Natural disturbances accounted for 36.9% of the total, with fire dominating within the Yunnan pine range (79.3% of natural disturbances in this zone) and drought prevailing in the Armand pine range (71.3% of natural disturbances in this zone). (4) Cumulative disturbance characteristics differed markedly among species zones: Chinese fir zones exhibited the highest cumulative proportion of disturbed area (42.6%), with strong spatial aggregation. Yunnan pine zones followed (36.5%), exhibiting disturbances linearly distributed along dry–hot valleys. Armand pine zones showed the lowest proportion (20.9%), characterized by sparse disturbances within fragmented, high-altitude habitats. These spatial patterns reflect the combined controls of topographic adaptation, management intensity, and environmental stress. Our findings establish a scientific basis for identifying disturbance-prone areas and inform the development of differentiated precision management strategies for plantations. Full article
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