bluuebunny/crossref_metadata_2025_split huggingface dataset:
Sucrose and Gibberellic Acid Binding Stabilize the Inward‐Open Conformation of AtSWEET13: A Molecular Dynamics Study
Authors: Palmai Zoltan 
Published: January 2025

ABSTRACTIn plants, sugar will eventually be exported transporters (SWEETs) facilitate the translocation of mono‐ and disaccharides across membranes and play a critical role in modulating responses to gibberellin (GA3), a key growth hormone. However, the dynamic mechanisms underlying sucrose and GA3 binding and transport remain elusive. Here, we employed microsecond‐scale molecular dynamics (MD) simulations to investigate the influence of sucrose and GA3 binding on SWEET13 transporter motions. While sucrose exhibits high flexibility within the binding pocket, GA3 remains firmly anchored in the central cavity. Binding of both ligands increases the average channel radius along the transporter's principal axis. In contrast to the apo form, which retains its initial conformation throughout the simulation, ligand‐bound complexes undergo a significant conformational transition characterized by further opening of the intracellular gate relative to the inward‐open crystal structure (5XPD). This opening is driven by ligand‐induced bending of helix V, stabilizing the inward‐open state. Sucrose binding notably enhances the flexibility of the intracellular gate and amplifies anticorrelated motions between the N‐ and C‐terminal domains at the intracellular side, suggesting an opening‐closing motion of these domains. Principal component analysis revealed that this gating motion is most pronounced in the sucrose complex and minimal in the apo form, highlighting sucrose's ability to induce high‐amplitude gating. Our binding free energy calculations indicate that SWEET13 has lower binding affinity for sucrose compared to GA3, consistent with its role in sugar transport. These results provide insight into key residues involved in sucrose and GA3 binding and transport, advancing our understanding of SWEET13 dynamics.
New polymorphisms of Vkork1 gene related to anticoagulant resistance of rats and mice in Italy
Authors: Reggiani Alessandro , Rugna Gianluca , Polverini Eugenia , Veronesi Rodolfo , Bellini Romeo , Venturelli Claudio , Dini Filippo Maria , Galuppi Roberta , Pampiglione Guglielmo , Dottori Michele , Carra Elena 
Published: January 2025

AbstractBACKGROUNDAnticoagulant rodenticides (ARs) are a very effective tool to control rodent pest populations. Nevertheless, AR resistance has been documented worldwide.ARs block the cycle of vitamin K, leading to the death of the animal by internal bleeding: mutations in Vkorc1 gene can cause resistance.The spreading of AR‐resistant rodents could lead to an increase of their populations, the associated diffusion of zoonotic pathogens, and to the amplified exposure of non‐target animals to ARs, thus it is important to study its diffusion widely. This study aimed to report firstly the presence of Vkorc1 mutations in synanthropic rodents from the Emilia‐Romagna region, Italy, and evaluate their role in resistance by means of molecular docking analysis.RESULTSA total of 67 animals were analyzed: 24 Rattus norvegicus, 35 Rattus rattus and eight Mus musculus. Single nucleotide polymorphisms (SNPs) associated with AR resistance, in homozygosis or heterozygosis, were detected in 6/8 mice, on codons 128 and 139, and 13/24 R. norvegicus, on codons 61 and 139, and in 10/35 R. rattus, on codon 59. Furthermore, several newly described missense mutations were detected in all the tested species: the molecular docking analysis suggests a role of some of these (e.g., I123S and F87L) in resistance to brodifacoum, both in rats and in mice.CONCLUSIONThe discovery of AR resistance SNPs in the 43.28% of tested rodents sounds as an alarm bell that requires the introduction of an integrated control approach, where ARs are not used routinely, but under specific monitoring evaluation. © 2024 The Author(s). Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Safety Inspections and Gas Monitoring in Hazardous Mining Areas Shortly After Blasting Using Autonomous UAVs
Authors: Nordström Samuel , Stathoulopoulos Nikolaos , Dahlquist Niklas , Lindqvist Björn , Tevetzidis Ilias , Kanellakis Christoforos , Nikolakopoulos George 
Published: January 2025

ABSTRACTThis article presents the first ever fully autonomous UAV (Unmanned Aerial Vehicle) mission to perform gas measurements after a real blast in an underground mine. The demonstration mission was deployed around 40 min after the blast took place, and as such realistic gas levels were measured. We also present multiple field robotics experiments in different mines detailing the development process. The presented novel autonomy stack, denoted as the Routine Inspection Autonomy (RIA) framework, combines a risk‐aware 3D path planning , with 3D LiDAR‐based global relocalization on a known map, and it is integrated on a custom hardware and a sensing stack with an onboard gas sensing device. In the presented framework, the autonomous UAV can be deployed in incredibly harsh conditions (dust, significant deformations of the map) shortly after blasting to perform inspections of lingering gases that present a significant safety risk to workers. We also present a change detection framework that can extract and visualize the areas that were changed in the blasting procedure, a critical parameter for planning the extraction of materials, and for updating existing mine maps. As will be demonstrated, the RIA stack can enable robust autonomy in harsh conditions, and provides reliable and safe navigation behavior for autonomous Routine Inspection missions.
Theoretical Study on the Generation Mechanism of Intermediates During Discharge/Charge Processes in Lithium‐Air Batteries
Authors: Yuan Wei , Sun Hong , Li Jie , Zhang Tianyu 
Published: January 2025

AbstractIn this paper, molecular dynamics (MD) was used to investigate the problem of the generation mechanism of product intermediates in the aprotic electrolyte in lithium‐air batteries. Through the utilisation of simulations of the electrolyte system, molecular orbitals of the electrolyte, thermodynamic analysis of the product intermediates' reactions, the Li+ solvation structure, the electrochemical stability of the electrolyte, the Li+ and O2‐ diffusion coefficients, and the Gibb's free energy of the Li+‐O2‐ and Li+‐C2O62− were investigated in detail. The results show that the Li+ coordination structure was a contact ion pair (CIP) structure, and the formation of a 5‐coordination structure with oxygen atoms was lower in energy and more stable in structure. The TEGDME‐LiTFSI electrolyte was the most stable in electrochemistry. The Gibbs free energy of the generated Li+‐O2− and Li+‐C2O62‐ was negative, indicating that the reaction can proceed spontaneously at ambient temperature. The intermediate products were present in the electrolyte in the form of [Li(solvent)n+‐O2‐] and [Li(solvent)n+‐C2O62‐]. The study of the mechanism of product intermediates in the lithium‐air battery is important for scholars to analyze the product growth pathway and improve the battery performance.
Silver Nanoparticles for Anticancer and Antibacterial Therapy: A Biogenic and Easy Production Strategy
Authors: Doğan Serap , Baran Ayşe , Baran Mehmet Fırat , Eftekhari Aziz , Khalilov Rovshan , Aliyev Elvin , Kavetskyy Taras , Šauša Ondrej , Smutok Oleh 
Published: January 2025

AbstractMetal nanoparticles are very valuable products due to their wide range of uses. Among these silver nanoparticles are beneficial products used in many fields, especially in medicine, due to their antibacterial properties. This research aimed to produce silver nanoparticles (Ag NPs) that are both affordable and environmentally friendly. For this purpose, Ag NPs were quickly obtained from domestic waste components of the carrot plant (Daucus carota L.). The UV–vis spectrophotometric, TEM, AFM, FE‐SEM, STEM, EDX, XRD, and DLS analyses were performed to determine the properties of the obtained Ag NPs. It has been found that their surface charge is −21.8 mV, with a maximum absorbance at a wavelength of 421.37 nm, spherical appearance, and an average size distribution of 85.41 nm. The anticancer and antibacterial activities of the produced Ag NPs were investigated by MTT and microdilution. The synthesized Ag NPs showed the most significant antimicrobial effect on Pseudomonas aeruginosa ATCC 27833 with microdilution and low concentration. However, they were also determined to be effective on Bacillus subtilis ATCC 11774 and on Candida albicans ATCC 10231 pathogenic strains. In fact, the effective concentrations of Ag NPs on these strains were significantly lower than the antibiotics used. Furthermore, aside from exhibiting a superior anticancer impact on CaCO‐2 cancer cells, it was established that Ag NPs also had remarkable efficacy in inhibiting U118 and Skov‐3 cancer cells.
Prognosis of OSA‐COPD overlap syndrome: A matter of concern
Authors: Wu Shujuan , Liu Xu , Yue Wuriliga , Hu Ke 
Published: January 2025

AbstractThe impact of obstructive sleep apnea (OSA)‐chronic obstructive pulmonary disease (COPD) overlap syndrome (OVS) should not be ignored. Increased upper airway resistance, systemic inflammatory response, and increased sympathetic nerve activity contributed to the adverse clinical outcomes in overlapping patients. Compared with COPD or OSA alone, those with OVS have more severe daytime hypoxemia and hypercapnia, leading to increased frequency and severity of COPD exacerbations. Consequently, patients with OVS experience increased rates of hospitalization and all‐cause mortality, alongside a markedly elevated risk of cardiovascular events. Continuous positive airway pressure (CPAP) as a treatment can improve oxygenation and lung function in patients with OVS and reduce the risk of COPD exacerbation and cardiovascular death. However, individual differences in treatment effectiveness suggest the need for individualized treatment regiments and compliance monitoring. In addition, the current research evidence on OVS is insufficient, and more large‐sample, multicenter studies are needed to evaluate disease prognosis in patients with different phenotypes and establish uniform evaluation and treatment guidelines to optimize the clinical management of patients with OVS.
2D/1D Hierarchical Hollow NiO@PPy Composites with Tunable Dielectric Properties for Enhanced Electromagnetic Wave Absorption
Authors: Yin Xiangyu , Zheng Zongrui , Chen Yixuan , Zhang Yue , Hou Linxi 
Published: January 2025

AbstractThe development of diverse microstructures has substantially contributed to recent progress in high‐performance electromagnetic wave (EMW) absorption materials, providing a versatile platform for the modulation of absorption properties. Exploring multidimensional microstructures and developing tailored and gentle strategies for their precise optimization can substantially address the current challenges posed by relatively unclear underlying mechanisms. Here, a series of 2D/1D heterogeneous NiO@PPy composites featuring hollow hierarchical microstructures are successfully synthesized using a straightforward strategy combining sacrificial templating with chemical oxidative polymerization. This strategy offers a facile and effective approach to fine‐tune the microstructure by adjusting the thickness of the polypyrrole (PPy) coating. This enables the continuous optimization of the dielectric properties and specific microstructures to maximize EMW absorption. Remarkably, the optimized 2D/1D hierarchical hollow NiO@PPy composite demonstrates an ultrathin thickness of 2.3 mm, a wide effective absorption band spanning 5.89 GHz, and a strong absorption intensity of −71.65 dB at a minimal loading of only 10 wt.%. The proposed mild and controllable preparation strategy not only provides insights for further tailoring the optimal dielectric properties of specific structures to enhance the absorption capacity, but also enriches the exploration of the underlying absorption mechanisms from the perspective of microstructure regulation.
Insights Into the Local Heating Effects in Triple‐Cation Mixed‐Halide Perovskite Cells: Charge Dynamics, Coherent Phonons, Anion Segregation
Authors: Baranowski Jacek J. , Sahare Sanjay , Solovan Mykhailo , Florczak Patryk , Ziółek Marcin 
Published: January 2025

AbstractThe behavior of triple‐cation mixed halide perovskite solar cells (PSCs) under ultrashort laser pulse irradiation at varying fluences is investigated, with a focus on local heating effects observed in femtosecond transient absorption (TA) studies. The carrier cooling time constant is found to increase from 230 fs at 2 µJ cm⁻2 to 1.3 ps at 2 mJ cm⁻2 while the charge population decay accelerates from tens of nanoseconds to the picosecond range within the same fluence range. At fluences between 0.5 and 5 mJ cm2, distinct oscillations in the TA signal (≈1.1 MHz) reveal the presence of coherent longitudinal acoustic phonons (CLAP). These phonons induce lattice strain propagating at the speed of sound through the perovskite layer and exhibit relatively long damping times. TA spectra further reveal a partially reversible segregation of iodide and bromide anions under pulsed excitation. Interestingly, higher local heating at increased pump fluences slows the segregation process, with time constants extending from 40 min at low fluences to 110 min at high fluences. However, the continuous irradiation results in significantly smaller segregation effects compared to ultrashort pulse irradiation.
Single‐Atom Iridium‐doped Carbon Dots Nanozyme with High Peroxidase‐Like Activity as Colorimetric Sensors for Multimodal Detection of Mercury Ions
Authors: Li Tao , Xia Jiashan , Wu Mengyu , Liu Cong , Sun Yapei , Zhao Wanjiang , Qian Min , Wang Wei , Duan Weixia , Xu Shangcheng 
Published: January 2025

AbstractNanozyme‐based colorimetric sensors are promising approaches for environmental monitoring, food safety, and medical diagnostics. However, developing novel nanozymes that exhibit high catalytic activity, good dispersion in aqueous solution, high sensitivity, selectivity, and stability is challenging. In this study, for the first time, single‐atom iridium‐doped carbon dot nanozymes (SA Ir‐CDs) are synthesized via a simple in situ pyrolysis process. Doping carbon dots with iridium in the form of single atoms to achieve maximum atomic utilization not only enhances peroxidase (POD)‐like activity to 178.81 U mg−1 but also improves the dispersibility of single‐atom nanozymes in aqueous solutions over 30 days. Hence, the SA Ir‐CD colorimetric platform is developed for mercury ions (Hg2+) detection and exhibited a good linear relationship from 0.01 to 10 µm and a detection limit of 4.4 nm. Notably, the changes in color can be observed not only through the naked eye but also via a smartphone, enabling convenient field and onsite monitoring without the need for sophisticated analytical equipment. In this study, an approach for fabricating single‐atom metal‐based carbon dot nanozymes with high POD‐like activity is developed, and a new effective and easy‐to‐use colorimetric sensor for Hg2+ detection is constructed.
Electron‐Donating Zr Induces Suppressed Ru Over‐Oxidation and Accelerated Deprotonation Process Toward Efficient and Durable Water Electrolysis
Authors: Yang Ming , Guan Xin , Shi Zhaoping , Wu Hongxiang , Cheng Yuqing , Wang Ziang , Liu Wei , Xiao Fei , Shao Minhua , Xiao Meiling , Liu Changpeng , Xing Wei 
Published: January 2025

AbstractThe scarcity of cost‐effective and durable iridium‐free anode electrocatalysts for the oxygen evolution reaction (OER) poses a significant challenge to the widespread application of the proton exchange membrane water electrolyzer (PEMWE). To address the electrochemical oxidation and dissolution issues of Ru‐based electrocatalysts, an electron‐donating modification strategy is developed to stabilize WRuOx under harsh oxidative conditions. The optimized catalyst with a low Zirconium doping (Zr, 1 wt.%) enhances durability noticeably, with a 77% reduction in degradation rate in the durability test of 10 mA cm−2 in 0.5 m H2SO4. When integrated into a homemade PEMWE device, the Zr‐doped catalyst achieves excellent long‐term stability, lasting up to 650 h at 100 mA cm⁻2. Additionally, the electronic modulation from the Zr modification leads to superior activity with a low overpotential of 208 mV at 10 mA cm−2. Theoretical calculation results further reveal that electron‐donating Zr modification effectively suppresses Ru overoxidation and lattice oxygen participation, maintaining a robust structure during acidic OER. This modification also promotes deprotonation through stronger Brønsted acid sites, significantly improving both long‐term stability and activity.
Enhancing Photocatalytic CO2RR by Modulating the Active Sites of COF‐Based Catalysts
Authors: Yuan Xiao‐Min , Xiao Deng‐Meng‐Fei , Zhao Cheng‐Long , Zhang Chuan‐Lei 
Published: January 2025

AbstractThe catalytic conversion of CO2 into valuable chemicals using metalized covalent organic frameworks (COFs) as catalysts is a promising method for reducing atmospheric CO2 levels. Herein, a aldehyde‐amine COF (TAPT‐Tp) at room temperature and pressure and their metallized results is synthesized, Ni‐TAPT‐Tp and Ti‐TAPT‐Tp. The photocatalytic results indicate that the CO2 to CO reduction rate is 6182.5 µmol g−1 h−1 for Ni‐TAPT‐Tp, but only 1615.4 µmol g−1 h−1 for Ti‐TAPT‐Tp. Density functional theory (DFT) simulations further demonstrate that for intermediates *CO2, *COOH, and *CO, the energy of Ni‐TAPT‐Tp is consistently lower than that of Ti‐TAPT‐Tp, indicating that Ni‐TAPT‐Tp exhibits superior photocatalytic performance for CO2RR. This work provides a reference for optimizing the coordination structure of M‐COFs to obtain highly active and selective CO2RR.
Tensile performance of inclined adhesive anchors in steel fiber‐reinforced concrete
Authors: Cihan Mehmet Timur , Aydın Zekeriya , Kam Serkan 
Published: January 2025

AbstractIn almost all studies on post‐installed anchors in concrete, the anchor direction is perpendicular to the concrete surface. However, the anchor direction may not be perpendicular to the concrete surface due to application errors or requirements. In the study, the effect of inclination angle is examined experimentally for non‐perpendicular anchorage to steel fiber‐reinforced concrete. Anchor inclination angle (0°, 15°, and 30°), fiber volume fraction (0%, 1.5%, and 3%), and embedment depth (40, 60, and 80 mm) are considered variables. Trial points are decided using the “Box–Behnken” experimental design approach. An 8 mm diameter deformed steel bar and two‐component epoxy acrylate‐based chemical adhesive are used for anchorage. Load–displacement curves, ultimate loads, and failure modes are determined through tensile tests. It is concluded that as the fiber fraction increases, failure modes modify and the negative effect of the inclination angle decreases, particularly in cases of small embedment depth.
Sustainable Waste Electrical and Electronics Equipment Recycling in Nigeria, Policies and Emerging Technologies
Authors: Abogunrin‐Olafisoye Oladunni Bola , Adeyi Oladayo , Adeyi Abiola J. , Oke Emmanuel Olusola , Ojediran Gideon Oluranti 
Published: January 2025

ABSTRACTNigeria faces significant environmental and health risks due to rapid Waste Electrical and Electronics Equipment (WEEE) generation, estimated at 500,000 tons annually. This systematic review analyses the situation of WEEE in Nigeria, examining existing policies, regulations, and emerging technologies for sustainable recycling. The review analysis reveals gaps in legislation, inadequate infrastructure, and primitive recycling methods, resulting in severe environmental pollution and health risks. Emerging technologies, such as recycling technologies, waste‐to‐energy conversion, and circular economy approaches, offer potential solutions. This review evaluates these technologies' effectiveness and sustainability in the Nigerian context. Recommendations for policy reforms, technological innovations, and stakeholder engagement are provided to inform evidence‐based decision‐making and promote sustainable WEEE recycling practices in Nigeria.
Clinical presentation, acute care management and discharge information of patients with thoracic trauma in South Africa and Sweden: a prospective multicenter observational study
Authors: van Aswegen Heleen , Roos Ronel , Svensson-Raskh Anna , Svensson Annie , Sehlin Maria , Caragounis Eva-Corina , Plani Frank , Fagevik-Olsén Monika 
Published: January 2025

Abstract

Purpose
Thoracic trauma causes pain and hospitalisation. Middle- and high-income countries have different trauma contexts and populations. To report patients’ clinical presentation (pain and shortness of breath) and its influence on hospital length of stay (LOS), acute care management, and discharge destinations in South Africa (SA) and Sweden.

Methods
Prospective observational multicenter study by means of clinical record review. Two centers in SA and four centers in Sweden participated. One thousand nine hundred and eighteen adults with thoracic trauma were screened over the 20 months period. Study objectives guided information retrieved from clinical records. Statistical analysis was done with significance at p-value < 0.05.

Results
Three-hundred-sixty-four participants were recruited with most being male (n = 170/179 (95%) SA; n = 125/185 (68%) Sweden). Type and mechanism of injury differed (SA penetrating (82%) versus Sweden blunt (95%); SA assaults (90%) versus Sweden falls (44%)). Unilateral haemopneumothorax was common (SA 68%, Sweden 35%) and managed with intercostal drainage. Rib cage injuries were common in the Swedish cohort with rib fixation surgery for 17%. Physiotherapy treatment frequency was mostly daily. Blunt injury resulted in higher pain levels during deep breathing (day 1: p = 0.014; day 2: p < 0.001; day 3: p < 0.001) and shortness of breath during activity (day 1: p = 0.036; day 2: p = 0.003; day 3: p < 0.001). LOS was shorter for SA cohort (5 (± 4) versus 7 (± 5) days; p = 0.024). Age influenced LOS in the blunt injury group. Discharge destination was mostly home (99% SA, 56% Sweden).

Conclusion
Priority care is indicated for those who are older and have blunt thoracic injury to prevent pulmonary complications and prolonged hospitalisation.