Search Results (38,778)

Infertility is a prevalent clinical issue which disrupts normal human life and exerts an impact on fertility rates within the population. The increase in environmental pollutants, including acetyl tributyl citrate (ATBC), has given rise to concerns regarding their potential toxicity in infertility-related disorders. Icariin exhibits therapeutic effects on infertility, yet its mechanism of action against plasticiser-induced reproductive disorders remains unclear. This study aims to elucidate the potential toxicological targets and molecular mechanisms of ATBC-induced infertility, as well as the therapeutic targets and mechanisms of icariin in treating ATBC-induced reproductive disorders, through network toxicology, molecular-docking techniques and molecular dynamics simulation. Utilising the component-target database SwissTargetPrediction, the Similarity Ensemble Approach, PharmMapper, the ChEMBL database, and disease databases including the Therapeutic Target Database, OMIM, GeneCards, and DrugBank, 63 targets for ATBC-induced infertility and 33 targets for icariin treatment were identified. Screening via the STRING platform and Cytoscape 3.10.1 software yielded four core targets for ATBC-induced infertility—HSP90AA1, PIK3CA, CASP3, HRAS—and four core targets for icariin treatment—IL6, TNF, STAT3, and INS. Gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analyses revealed that ATBC-induced infertility correlates with pathways including pathways in cancer, prostate cancer, and PI3K-Akt signalling pathways. Conversely, the core targets of icariin therapy for related reproductive disorders are closely associated with tumour-associated signalling pathways and the AGE-RAGE signalling pathway. Molecular-docking and molecular dynamics simulation further confirmed the strong binding interactions between ATBC and infertility-related targets, as well as between icariin and core targets for treating reproductive disorders. This provides a theoretical foundation for understanding ATBC’s toxicological targets and the complex molecular mechanisms underpinning icariin’s treatment of infertility. It informs the development of strategies for icariin to prevent and treat infertility caused by exposure to ATBC-containing plastics or excessive ATBC contact. Full article

Precision greenhouse agriculture enhances plant health and crop yields by continuously monitoring key plant parameters. Stem diameter is such a parameter and is monitored to support decisions on plant care. However, traditional contact-based methods induce thigmomorphogenic effects that impact plant growth. Here, we introduce the Optical Caliper (OC), a novel contactless device for precise, non-invasive stem diameter measurement. The OC operates by projecting a collimated light beam to cast a shadow of the stem onto a high-resolution image sensor. The shadow size is a measure for the stem diameter. Controlled laboratory tests show the OC offers an accuracy comparable to that of a Digital Caliper (DC). Field trials on irregular tomato and cucumber stems demonstrate a repeatability of 0.1 mm–0.2 mm. The OC’s non-invasive design and high repeatability exceed the performance of a DC, making it particularly suited for accurately monitoring soft, variable plant structures. Bringing the advantage of avoiding thigmomophogenic effects and thus optimizing crop yield, the OC is a promising tool for high-throughput plant phenotyping and precision agriculture applications. Full article

Assistive mobility devices for small animals require reliable monitoring to ensure safe and comfortable operation without increasing system complexity or invasiveness. This study presents a low-cost monitoring platform that integrates a laser-induced graphene (LIG) contact-temperature sensor into a passive mobility device for small dogs, supported by a lightweight Internet of Things (IoT) architecture. The system combines contact temperature, ambient temperature, speed, and obstacle distance using an energy-aware acquisition strategy and prioritized wireless transmission for near-real-time monitoring. An unsupervised anomaly detection framework based on Isolation Forest identifies potentially unsafe operating conditions without labeled pathological data by leveraging absolute temperature and the differential feature $\Delta T$ between contact and ambient measurements. Experimental validation was conducted under controlled indoor conditions across six independent sessions with a small-breed dog, including static and dynamic phases to ensure repeatability. The system achieved packet delivery ratios of approximately 95%, with typical end-to-end latencies below 500 ms and worst-case delays below 850 ms. The proposed approach detected localized thermal deviations associated with friction or prolonged contact while remaining robust to normal activity- and environment-driven variations. These results demonstrate the feasibility of integrating LIG-based sensing and unsupervised analytics into assistive animal mobility platforms to enhance safety through continuous, non-invasive monitoring. Full article

Background: Patients with latent tuberculosis infection are mainly asymptomatic, but they still carry a notable risk of developing active TB, particularly when the host becomes immunosuppressed. Hence, appropriate diagnosis and management for LTBI are essential. Tuberculin skin test (TST) and interferon-gamma release assays (IGRAs) are among the most commonly utilized methods for detecting LTBI. Until now, no agreement has been established regarding the most effective diagnostic test, either TST or IGRA, so our study aims to evaluate the diagnostic utility of TST versus IGRA in detecting LTBI. Methods: An extensive literature search was executed in several databases from inception till June 2024. We included all the available studies that compared TST versus IGRA concurrently applied to the same study participants, utilizing one of the following proxy reference standards: previous contact with a tuberculosis patient, tuberculosis history, chest x-ray suggestive of tuberculosis, or a combination of them. The sensitivity (SN) and specificity (SP) were imputed with their 95% confidence interval (CI). A bivariate random-effects model within the OpenMeta-Analyst software was utilized for data analysis. Results: We included 39 studies, and our primary analysis regarding LTBI revealed that TST has an SN of 0.320 (95% CI [0.254–0.393]) and an SP of 0.808 (95% CI [0.752–0.854]). Nevertheless, the IGRA exhibited a higher SN estimated at 0.362 (95% CI [0.295–0.434]) and a lower SP estimated at 0.758 (95% CI [0.700–0.808]). Regarding the adult population, TST consistently showed a lower SN and a higher SP relative to IGRA. However, within the pediatric population, TST showed higher SN and lower SP when compared to IGRA. Furthermore, TST also showed a lower SN and a higher SP within hemodialysis and organ transplant patients than IGRA. Conclusions: Our diagnostic test meta-analysis revealed that TST was associated with a lower SN and a higher SP than IGRA. Clinicians should interpret these findings with caution, considering the substantial heterogeneity observed across the included studies, the reliance on proxy reference standards, the potential influence of BCG vaccination status, and the considerable overlap in confidence intervals between TST and IGRA estimates across most analyses. Full article

The present work set out to examine the antidiabetic capacity of Abelmoschus esculentus (okra) fruit extract through a combined experimental and computational framework. Enzyme inhibition assays were carried out against four metabolic targets, and IC₅₀ values stood at 7.66 ± 0.31 mg/mL for alpha-glucosidase, 5.21 ± 0.18 mg/mL for alpha-amylase, 2.11 ± 0.15 microg/mL for DPP-4, and 9.17 ± 0.54 mg/mL for pancreatic lipase. The extract showed moderate-to-weak activity relative to standard inhibitors acarbose, sitagliptin, and orlistat. Sixteen drug-like phytochemicals obtained from the IMPPAT 2.0 database were docked against the crystal structures of all four tested enzymes (PDB: 8CB1, 5E0F, 2ONC, 1LPB). Alpha-Carotene, Vitamin E, and Spiraeoside emerged as the top-ranked compounds across all targets, with alpha-Carotene recording the strongest binding affinity of −11.1 kcal/mol against pancreatic lipase, which was 4.2 kcal/mol more negative than the positive control orlistat (−6.9 kcal/mol). PLIP-based interaction profiling mapped out hydrogen bonds, hydrophobic contacts, pi-stacking, and salt bridges at the atomic level. Absorption, distribution, metabolism, and excretion (ADME) and toxicity screening of alpha-Carotene returned a favourable pharmacokinetic profile with predicted LD₅₀ of 1510 mg/kg (Class 4) and inactivity across most toxicity endpoints. A 100 ns molecular dynamics simulation of the pancreatic lipase-alpha–Carotene complex, alongside the orlistat control, showed stable root mean square deviation (RMSD) (0.15–0.22 nm), a consistent Rg (~1.97 nm), and sustained hydrogen bonding throughout the trajectory. Free-energy landscape analysis revealed a well-defined single energy basin for alpha-Carotene, suggesting a thermodynamically stable binding conformation. These findings lay the molecular basis for using okra phytochemicals as adjunctive agents in diabetes management, though in vivo validation remains necessary. Full article

Understanding the dynamic conformations of proteins is important for rational drug discovery. While molecular dynamics (MD) simulation is the primary tool for this purpose, it is both resource- and time-consuming. Recent advances in deep learning offer an attractive alternative by generating conformational ensembles directly from protein sequences. However, the scope of applying such models to protein dynamics studies remains underexplored. Here, we tested the performance of a representative model, BioEmu, across several tasks related to protein dynamics. Our results show that BioEmu can not only generate multiple conformations but also effectively reproduce fundamental properties including residue flexibility, motion correlations, and local residue contacts. However, it fails to predict a mutation-induced shift in conformational distribution and exhibits a preference for higher-energy conformations over lower-energy ones in some cases, indicating that it does not reproduce a right Boltzmann-weighted ensemble. Furthermore, the BioEmu-generated conformations provide only limited improvement in ensemble docking. These findings delineate the current capabilities and limitations of sequence-based generative models for conformational sampling. Also, they highlight several directions for future development—that further energy-based fine-tuning is needed for tasks related to conformational distributions and atom-level generative model is required to study the intermolecular relationship. Full article

The utilization and chemical transformation of carbon dioxide remains a pressing problem in modern chemistry. Numerous experimental and theoretical studies have focused on the interaction of CO₂ with amines. In this work, quantum chemical density functional theory (DFT) calculations of equilibrium geometries, energies, electronic and vibrational characteristics of CO₂-sensitive mono-, di-, tris-hydroxyamidines and their associates were carried out by the B3LYP/6-31G(d, p) method. The harmonic vibrational frequencies were scaled and compared with the experimental FTIR spectra for supporting wavenumber assignments. Natural bond orbital (NBO) analysis of the atomic charges and charge delocalization was employed to investigate the nature of hydrogen bonding in hydroxyamidine associates. We also used the intrinsically polarizable continuum model (IEFPCM), and the DFT-D3 method was applied to account for dispersion effects during associate formation. Using the 6-311+G(2d, p) basis set for tris-hydroxyamidine, and its adducts, a comparative analysis of the experimental and calculated ¹H NMR spectra was performed. Here, we considered non-trivial sites of carbon dioxide absorption and hydroxyamidine protonation, which, to our knowledge, have hardly been considered by other authors. Present DFT results agree rather well with the experimental data and support new insight into the formation of the PIL structure. Full article

Osteosarcoma (OS), the most common primary malignant bone tumor in children and young adults, is characterized by aggressive behavior, frequent metastasis, and resistance to chemotherapy, resulting in poor clinical outcomes. Increasing evidence indicates that OS progression is not solely driven by tumor-intrinsic factors but is strongly influenced by dynamic interactions within the tumor microenvironment (TME). This literature review synthesizes current research on the roles of endothelial cells, fibroblasts, mesenchymal stromal cells, immune populations, and osteoclasts in OS pathogenesis, with emphasis on cell–cell interactions mediated by direct contact, soluble factors, and extracellular vesicles. The studies demonstrate that these interactions promote tumor proliferation, immune evasion, extracellular matrix remodeling, metastatic dissemination, and therapeutic resistance. Adaptive responses of both tumor and stromal cells to environmental stressors contribute to chemoresistance and disease progression. Collectively, our findings highlight the multifactorial nature of OS driven by complex cellular crosstalk within the TME. Understanding these mechanisms highlights the limitations of conventional chemotherapy and encourages the development of combined therapeutic approaches, including targeted therapies, immunomodulation, and microenvironmental interventions. Continued investigation into tumor–microenvironment interactions may facilitate the identification of actionable targets and improve personalized treatment approaches for OS. Full article

In this work, a hybrid polymer electrolyte integrating single- and dual-ion conducting systems was developed for lithium-ion batteries using bio-based materials, namely oleic-acid derivatives and epoxidized soybean oil, through an in situ polymerization process. The fixed FSI anions in LiEFSOA enhance the selectivity of Li⁺ transport, while the cross-linked network formed by ESO provides mechanical stability, and the LiFSI incorporated into the polymer matrix helps maintain sufficient overall ionic conductivity. In addition, the long C18 oleic chains increase the internal free volume of the matrix, thereby improving segmental mobility within the amorphous phase. The in situ polymerization inside the cell causes intimate interfacial contact between the electrode and electrolyte, achieving an ionic conductivity of 1.05 × 10⁻⁴ S cm⁻¹ at 30 °C. Electrochemical evaluation using LiFePO₄/FSOA-2/Li cells shows an initial discharge capacity of 149.09 mAh g⁻¹ and a capacity retention of 81.09% after 100 cycles, and the average coulombic efficiency was 99.62%, demonstrating that the designed FSOA electrolyte exhibits stable cycling performance and competitive capacity. Overall, the combination of eco-friendly materials and a hybrid ion transport strategy provides a promising platform for developing sustainable and high-performance polymer electrolytes for lithium-ion batteries. Full article

The meshing contact performance of spiral bevel gears is critical for transmission accuracy and service life but is inevitably influenced by manufacturing deviations. Existing tooth contact analysis (TCA) and lubrication-related studies for spiral bevel gears are mostly based on ideal theoretical tooth surfaces, failing to reflect the actual meshing state of as-machined gears with inherent machining deviations, and have poor robustness for complex deviated spatial surfaces. To accurately assess the actual meshing state, this paper proposes a novel contact performance analysis method based on a high-precision digital tooth surface reconstructed from one-dimensional probe measurement data. Unlike traditional TCA methods that rely on complex principal curvature calculations, this approach eliminates the mounting distance parameter by simplifying the meshing coordinate system, and employs a variable-radius cylindrical cutting method combined with a binary search algorithm to determine the instantaneous contact ellipse, effectively reducing computational complexity and improving solution robustness for deviated tooth surfaces. Experimental validation demonstrates that the digital tooth surface achieves a reconstruction accuracy of 2.6 × 10⁻⁵ mm. Furthermore, the method accurately predicts the contact pattern location and transmission error, with a discrepancy of only 4.7% compared to theoretical design values, which is highly consistent with the no-load rolling test results. This study confirms that the proposed method effectively reflects the actual meshing condition of machined gears, providing a practical theoretical foundation for the high-quality manufacturing and control of spiral bevel gears. Meanwhile, the high-fidelity contact characteristics of as-machined tooth surfaces output by this method can provide reliable input boundaries for thermoelastohydrodynamic lubrication (TEHL) simulation, friction loss prediction and anti-scuffing design of spiral bevel gears considering machining deviations. Full article

Background/Objectives: In Japan, hospital births predominate, with home births comprising only 0.1% of deliveries. This study assessed how documented practices for planned home births attended by independent midwives align with national guidelines and WHO intrapartum care recommendations, and assess maternal and neonatal differences before and after the COVID-19 pandemic. Methods: Records of 430 low-risk pregnant women who received continuous care at a private midwifery home over 25 years were reviewed. After excluding 8 maternal and 22 neonatal transfers, 400 records were analyzed. Descriptive statistics were compared with WHO recommendations and between the pre-pandemic (1999–2019) and post-pandemic (2020–2024) periods. Results: All women experienced spontaneous singleton cephalic labors with intermittent fetal heart rate auscultation. The mean gestational age was 277.3 days and the median labor duration was 303.5 min. Labor onset was spontaneous in 83.5% of cases. Nearly half of the women had no perineal lacerations. Postpartum blood loss ≥500 mL occurred in 14.1% of cases. Family presence was nearly universal. Neonates had a mean birth weight of 3129.0 g and high Apgar scores. Skin-to-skin contact occurred in 52.9%; exclusive breastfeeding reached 93.8% at 1 month. Post-pandemic births showed higher maternal age and higher neonatal birth weight, although these differences should be interpreted cautiously due to the small post-pandemic sample. Conclusions: Independent midwives provided evidence-based, physiologically oriented care, partially aligning with selected WHO intrapartum recommendations during planned home births. Midwife-led home births may support positive childbirth experiences and favorable maternal/neonatal outcomes for low-risk women. Post-pandemic shifts underscore the need for continued monitoring and flexible, community-based perinatal support, while recognizing the limitations of retrospective, single-site data. Full article

The inherent hydrophobicity of polyolefin separators significantly impedes rapid electrolyte wetting, thereby limiting the electrochemical performance of lithium-ion batteries. Cellulose, as a hydroxyl-rich natural polymer, serves as an ideal material for enhancing the interface properties of separators. However, there is still a lack of systematic understanding regarding how the morphological structures of cellulose (such as granular, fibrous, or network-like forms) influence the coating structure and ion transport mechanisms. Here, three representative cellulose derivatives—microcrystalline cellulose (MCC), cellulose nanofibers (CNF), and bacterial cellulose (BC)—were selected to construct functionalized polypropylene (PP) composite separators through vacuum filtration. Experimental results demonstrate that all three cellulose coatings reduced contact angles from 50.8° to below 10°, significantly enhancing interfacial affinity. Systematic comparison reveals that cellulose configuration decisively influences separator performance: unlike the dense fiber entanglement networks formed by CNF and BC, the unique rigid granular packing structure of MCC maintains hydrophilicity while establishing more permeable ion transport pathways. Among these, MCC@PP exhibited optimal electrochemical performance, with the lithium-ion migration number increasing to 0.41 and a capacity retention rate of 88.04% after 100 cycles at 0.5 A/g. This study elucidates the relationship between cellulose configuration and the modification of separator performance, demonstrating that MCC represents a more efficient, robust, and cost-effective option for separator modification compared to complex fiber networks. Full article

Droplet size is a key factor in minimizing spray drift. Different types of adjuvants and sprayer operating pressures can affect the droplet size distribution in various ways. This study aimed to evaluate the effects of commercial adjuvants, namely, acids and surfactant (AS), silicone surfactant (SS), organosilicone surfactant (OS), mineral oil (MO and MO₂), and copolymer (CP) adjuvants, on the droplet spectra and physicochemical properties of aqueous solutions. Hydrogen potential (pH), volumetric mass ($VM$), electrical conductivity (EC), surface tension (ST), contact angle (CA), and droplet spectra were measured. The droplet spectrum variables, including volumetric diameters ($D_{v0.1}$, $D_{v0.5}$, and $D_{v0.9}$), the Relative Span Factor ($RSF$), and percentages of the total volume of droplets with a diameter smaller than 100 µm (V100) and larger than 500 µm (V500), were determined using a laser diffraction particle analyzer (Malvern Spraytec). Spraying tests were carried out using the AXI 11003 flat fan nozzle at pressures of (0.1, 0.2, 0.3, 0.4, and 0.5) MPa. The increase in pressure increased the V100 and the $RSF$, with greater sensitivity observed for SS. Adjuvants such as AS, MO₂ and OS showed a more balanced trend, with a smaller increase in fine droplets and a greater reduction in coarse droplets. The principal component analysis (PCA) revealed that the droplet spectrum variables were the ones that best explained the variation among the solutions. A negative correlation was identified between EC and other physicochemical properties, such as pH, ST, and CA. Therefore, these properties alone did not determine the atomization pattern. The study demonstrates that optimizing spray quality and minimizing drift require a combined consideration of adjuvant physicochemical properties and their interaction with operational pressure. Full article

This study investigates the reutilization of polylactic acid (PLA) waste generated by 3D printing through its transformation into electrospun membranes with tunable morphological, surface, thermal, and filtration properties. Polymer solutions containing 5–10 wt % recycled PLA were prepared in a dichloromethane/dimethylformamide system and characterized in terms of viscosity and electrical conductivity. Increasing PLA concentration raised solution viscosity (41.87–339.83 mPa·s) and reduced conductivity (7.63–1.63 µS·cm⁻¹), promoting the formation of bead-free fibers with larger diameters (0.221–1.213 µm) and enhanced hydrophobicity (contact angles 112.34–124.38°). FTIR confirmed preservation of the polymer chemical structure after recycling and electrospinning, while DSC revealed reduced crystallinity in the fibrous membranes. Exploratory correlation analysis indicated consistent associations between solution properties, fiber morphology, and wettability. Increasing the number of electrospun layers (1–3) generated denser networks with reduced pore size and improved particle retention. Filtration tests conducted under controlled airflow conditions (85 L min⁻¹, 1 cm s⁻¹ frontal velocity, 50 cm² effective area) showed removal efficiencies above 90% for PM2.5 and PM5, while PM1 capture improved with increasing membrane thickness. Quality factor analysis highlighted the trade-off between filtration efficiency and pressure drop, identifying intermediate multilayer configurations as providing a favorable balance. These findings demonstrate that electrospinning offers an effective strategy for converting recycled PLA into structurally tunable membranes with adjustable filtration performance, supporting sustainable valorization of additive manufacturing waste. Full article

When is an unknown, confined environment traversable for a specific ground robot using only touch? We answer by (i) giving an environment-anchored definition of traversability, expressed through the max-min value $T^{★}(E;A)={sup}_{\pi \in {\Pi }_{S\to G}}{inf}_{s\in [0,1]}\varphi \left(\pi \left(s\right)\right)$, where the bottleneck margin $\varphi$ aggregates the clearance, curvature ($\rho \ge R_{min}$), slope/step, and friction constraints, and (ii) introducing an on-policy, tactile certificate (TC) that maintains a conservative, monotone lower bound $T_t$ using partial contact histories. The TC fuses pessimistic free-space from contacts and the body envelope, the M3 decaying contact memory as a risk prior, and local bend/FSR proxies; a certificate is issued when $T_t>0$ and the explored corridor graph connects S to G. Relative to Papers 1–2 (tactile traversal; offline software assurance), this work formalizes traversability itself and provides a tactile-only, online certificate computable during runs. In a retrospective analysis of 660 trials across Indoor/Outdoor/Dark lighting environments, (H1) the early TC margin predicts success and traversal time better than contact/dwell heuristics (higher AUC/$R^2$), (H2) the TC predictivity is lighting-invariant, and (H3) speed-gating M3 by a TC margin recovers part of the CB-V speed gap without degrading success. Artifacts include the TC implementation, explored-corridor graphs, and per-trial TC time series added to the Paper-1 log bundle; these materials are available from the corresponding author upon reasonable request. Full article