bluuebunny/crossref_metadata_2025_split huggingface dataset:
Programmed Charge Transfer in Conjugated Polymers with Pendant Benzothiadiazole Acceptor for Simultaneous Photocatalytic H2O2 Production and Organic Synthesis
Authors: Li Sizhe , Ma Rong , Tu Chuanjun , Zhang Weijie , Li Run , Zhao Yan , Zhang Kai A. I. 
Published: November 2024

AbstractWhile being important candidate for heterogeneous photocatalyst, conjugated polymer typically exhibits random charge transfers between the alternating donor and acceptor units, which severely limits its catalytic efficiency. Herein, inspired by natural photosystem, the concept of guiding the charge migration to specific reaction sites is employed to significantly boost photocatalytic performance of linear conjugated polymers (LCPs) with pendant functional groups via creating programmed charge‐transfer channels from the backbone to its pendant moiety. The pendant benzothiadiazole, as revealed in both in situ X‐ray photoelectron spectroscopy (XPS) and density functional theory (DFT) calculations, can act as electron “reservoir” that aggregates electrons at the active sites. Moreover, the presence of charge‐transfer channels, evidenced by transient absorption spectroscopy (TAS), accelerates the electron transfer, preventing the recombination of electrons and holes. As a result, in this elaborately‐designed architecture, the photogenerated electron can move smoothly towards the reduction sites, facilitating the reduction of O2 into H2O2, while remaining holes are directed to oxidation centers, simultaneously oxidizing furfuryl alcohol to furoic acid. The optimized photocatalyst LCP‐BT demonstrates a competitive catalytic performance with H2O2 productivity of 868.3 μmol L−1 h−1 (9.8 times higher than conventional random charge‐transfer polymer LCP‐1) and furfuryl alcohol conversion over 95 % after 6 h.
The BRICS Nations Framework for Curbing Carbon Emissions: Evidence From Energy Intensity, Renewable Energy, and Environmental Policy
Authors: Zhu Xuying , Hussain Hadi , Fang Song 
Published: November 2024

ABSTRACTIn the pursuit of sustainable development, the escalating challenges of global environmental pollution and the imperative to mitigate energy intensity stand as paramount concerns. As a result, this study aims to construct a comprehensive framework that acknowledges the interplay between energy intensity, the stringency of environmental policies, and the integration of renewable energy within BRICS nations. Utilizing a panel dataset covering the years 1991–2021, this study employs a range of econometric methods such as cross‐sectional dependence tests, second‐generation unit root tests, and panel co‐integration analysis. The results reveal the pivotal roles of energy intensity, the integration of renewable energy sources, and the enforcement of stringent environmental policies in mitigating carbon emissions. Additional analysis indicates that the impact of energy intensity in lowering carbon emissions is strengthened when institutional quality and research and development capabilities reach a certain threshold, thereby offsetting the impact of openness. In accordance, the present study suggests adopting a versatile and inclusive policy approach to effectively decrease carbon emissions, providing insights for policymakers in crafting climate change mitigation strategies and fostering sustainable development.
Singular Electromagnetics: From Phase Singularities to Optical Skyrmions and Beyond
Authors: Yang Jie , Jiang Juanna , Wang Jiafu , Zheng Xuezhi 
Published: November 2024

AbstractSingular electromagnetics, also known as singular optics in the visible spectrum, is a branch of modern electromagnetics/optics that studies the solutions with nontrivial topological features to Maxwell's equations under different boundary conditions. These nontrivial topological features are called optical singularities, which can be viewed as topological defects of electromagnetic (EM) fields, including phase singularities in complex scalar fields, polarization singularities in complex vector fields, 3D topological defects (such as optical skyrmions, merons, hopfions, knots, links, and Möbius strips), and even higher‐dimensional optical singularities. In this manuscript, the definitions, the topological invariants, and the geometric representations of these optical singularities are reviewed. Along the way of the discussion, it is emphasized that how symmetries can impact optical singularities (for phase, polarization and spatiotemporal singularities). Very importantly, it is demonstrated that how a very complex optical singularity (e.g., a skyrmion) can be constructed based on simpler “building block” singularities (e.g., phase and polarization singularities), so that a hierarchical picture on the many diverse topics in singular electromagnetics is built up. This review can be considered a tutorial‐cum‐review article, which can provide a clear and concise physical picture for constantly emergent topics in singular electromagnetics.
Protein‐Based 2D Nanoarchitectures Constructed by Heterochiral π‐Stacking Dimerization of Helical Foldamers
Authors: Li Wencan , Ge Yunpeng , Wang Zhenzhu , Zhang Chenyang , Zhang Changqing , Chen Jiaxin , Dong Zeyuan 
Published: November 2024

AbstractIn this study, we focus on the designability and controllability of the interaction interface between secondary structures, and discover an important interface interaction between helical secondary structures by non‐covalent synthesis along the helical axis. The formation of discrete heterochiral dimers consisting of left‐handed helix and right‐handed helix not only helps to discover nonclassical supramolecular chirality phenomena, but also enables controllable protein assembly. Highly ordered nanostructures were thus constructed using π‐stacking dimerization of helical foldamers to control tetrameric avidin proteins. The designable and modifiable primitives of artificial folded molecules enable the modification of secondary structure interfaces through non‐covalent interactions, leading to the generation of unique structures and functions. These findings are of fundamental importance to the understanding of the precise assembly process of helical foldamers and can provide insights to facilitate the rational design of abiotic protein‐like tertiary structures and further functionalization.
Beyond Accretion Limits: The Rise of Pulsating Gems
Authors: Israel Gian Luca , Amato Roberta , Imbrogno Matteo , Pinciroli Vago Nicoló Oreste ,   a Larger Team
Published: November 2024

ABSTRACTThe discovery of several ultraluminous X‐ray sources exhibiting fast and rapidly evolving X‐ray pulsations unequivocally associates these sources with accreting neutron stars orbiting relatively massive companion stars (> 8M). Among these ULXs, the brightest pulsating ULX (PULX), NGC 5907 ULX‐1, displays a peak luminosity (~2 × 1041 erg s−1) that exceeds its Eddington limit by ~1000 times. These discoveries have raised several key questions, the most urgent of which include: what physical process (or processes) is driving the observed luminosities? What is the nature of compact objects in the still non‐pulsating ULXs, and how can we unambiguously ascertain it? Why are PULXs so rare and elusive, and how can we identify more members of this class? In this contribution, a brief overview of the ULX class is provided focusing on PULXs, presenting the most recent results obtained for NGC 5907 ULX‐1, NGC 7793 P13, M82 X‐2 and M51 ULX‐7. How current‐generation X‐ray missions are already providing (and can continue to do so in the next years) a wealth of information to address the aforementioned questions is also outlined.
Recent Advances in Non‐Carbon Dense Sulfur Cathodes for Lithium–Sulfur Battery with High Energy Density
Authors: Phuong Nguyen Viet , Lee Seung‐Mo 
Published: November 2024

AbstractThe seemingly advantageous features of carbon‐based materials, such as large pore volume and lightweight structure, could actually lead to low tap density for the sulfur cathode and excessive electrolyte consumption, potentially significantly decreasing the energy density of lithium–sulfur battery. Recently, non‐carbon‐based materials composed of inorganic matter have emerged as promising candidates for creating dense sulfur cathodes and reducing electrolyte intake. Additionally, inorganic matter exhibits strong interactions with lithium polysulfides, which can address the intrinsic problems of the severe shuttling effect and poor reaction kinetics. In this review, we first discuss the relationship between the tap density of the sulfur cathode and the energy density of lithium–sulfur battery. Subsequently, we systematically summarize recent advances in non‐carbon‐based materials as sulfur hosts. Finally, we propose future research directions and perspectives for sulfur host materials to inspire the realization of practical lithium–sulfur battery with high energy density.
Surface Sulfurization of Cubic Cu2O to Form Cu2S Nanostructure‐Decorated Catalysts for Light‐Enhanced Electrocatalytic H2 Evolution and Photocatalytic CO2 Reduction
Authors: Meng Weiting , Yang Hongran , Zhang Weibin , Li Yuying , Zheng Yuying , Zhu Ting 
Published: November 2024

AbstractDeveloping highly efficient bifunctional catalysts for electrocatalysis and photocatalysis suffers from sluggish charge transfer and poor photo‐to‐electric conversion rate. Herein, micro‐sized Cu2O cubes were initially prepared for subsequent transformation into Cu2O@Cu2S core‐shell structures by a slight surface sulfurization. The formation of nanostructured Cu2S thin layer at Cu2O surface can endow an immediate charge separation and migration under light irradiation, leading to high surface photovoltages (SPV, 18–30 mV). As a result, the as‐prepared Cu2O@Cu2S catalysts exhibited reduced overpotentials (η, only 86 mV is required for the optimized sample to achieve a current density of 10 mA cm−2) for H2 evolution with good cycling stability in electrocatalytic water splitting. Meanwhile, a high methane (CH4) production rate of 30.3 μmol h−1 g−1 can be delivered from the optimized Cu2O@Cu2S sample when used for photocatalytic CO2 reduction. This work has provided a strategy to prepare bifunctional catalysts with improved photoelectric properties for photo/electrocatalytic applications.
Enhanced Efficiency and Intrinsic Stability of Wide‐Bandgap Perovskite Solar Cells Through Dimethylamine‐Based Cation Engineering
Authors: Dong Tianhe , Tan Li , Li Ze , Li Jiashun , Li Hongyu , Liao Jing , Chen Xu , Zhang Wenfeng , Li Haijin 
Published: November 2024

AbstractHigh efficiency and stable wide‐bandgap (WBG) perovskite solar cells (PSCs) are crucial for the development of perovskite‐based tandem solar cells. However, the efficiency and stability of WBG PSCs are compromised by significant phase segregation and surface defects. In this study, we introduce a cation engineering strategy for WBG perovskite, employing a two‐step sequential method that incorporates dimethylamine hydroiodide (DMAI) into the lead halide complex during the initial step. The addition of DMAI modifies the crystal structure and grain growth of the perovskite film, leading to improved crystal quality, reduced photo‐induced halide segregation, decreased defect density, and enhanced charge carrier mobility. Consequently, we achieved a champion power conversion efficiency (PCE) of 21.9 % for 1.68 eV WBG PSCs. Furthermore, the stability of PSCs based on DMA‐doped perovskite was significantly improved. After 1500 hours of exposure to ambient air, the unencapsulated device retained an impressive 80.6 % of its initial efficiency. This result highlights the substantial potential for stable and efficient WBG PSCs.
Evolution Enhances Kemp Eliminase Activity by Optimizing Oxyanion Stabilization and Conformational Flexibility
Authors: Doustmohammadi Hiva , Sanchez Janet , Ram Mahato Dhani , Osuna Sílvia 
Published: November 2024

AbstractThe base‐promoted Kemp elimination reaction has been used as a model system for enzyme design. Among the multiple computationally designed and evolved Kemp eliminases generated along the years, the HG3‐to‐HG3.17 evolutionary trajectory is particularly interesting due to the high catalytic efficiency of HG3.17 and the debated role of glutamine 50 (Gln50) as potential oxyanion stabilizer. This study aims to elucidate the structural and dynamic changes along the evolutionary pathway from HG3 to HG3.17 that contribute to improved catalytic efficiency. In particular, we evaluate key variants along the HG3 evolutionary trajectory via molecular dynamics simulations coupled to non‐covalent interactions and water analysis. Our computational study indicates that HG3.17 can adopt a catalytically competent conformation promoted by a water‐mediated network of non‐covalent interactions, in which aspartate 127 (Asp127) is properly positioned for proton abstraction and Gln50 and to some extent mutation cysteine 84 (Cys84) contribute to oxyanion stabilization. We find that HG3.17 exhibits a rather high flexibility of Gln50, which is regulated by the conformation adopted by the active site residue tryptophan 44 (Trp44). This interplay between Gln50 and Trp44 positioning induced by distal active site mutations affects the water‐mediated network of non‐covalent interactions, Gln50 preorganization, and water content of the active site pocket.
Pharmacokinetics and Bioequivalence of Two Formulations of Montelukast Sodium Tablets in Healthy Chinese Volunteers Under Fasting and Fed Conditions
Authors: Rao Xiali , Wu Xinghong , Hu Jiawei , Huang Zhaoming 
Published: November 2024

AbstractMontelukast sodium is a leukotriene type 1 receptor antagonist that can be used for the prophylaxis and treatment of asthma. However, the pharmacokinetics of montelukast sodium tablets (10 mg) remain unclear in healthy Chinese subjects. Here, a single‐dose randomized, open‐label, 2‐sequence, and 2‐period crossover (7‐day washout period between treatments) study was performed to compare the pharmacokinetics and bioequivalence between the test products and the reference at a single dose of 10 mg among healthy Chinese subjects under fasting and fed conditions. Blood samples were collected at specified time points to analyze the plasma concentrations of montelukast by a validated liquid chromatography‐tandem mass spectrometry method. The results showed that the 90% confidence interval values of the geometric mean ratio of test/reference for the maximum plasma drug concentration, area under the concentration‐time curve from time 0 to the end, and area under the concentration‐time curve from time 0 to infinity were within the range of 80%‐125%. Moreover, both the test and reference formulations were safe and well tolerated, with no occurrence of severe adverse events. These results demonstrate that both the test montelukast sodium tablets and the reference showed similar bioequivalence, safety, and tolerability among healthy Chinese subjects under fasting and fed conditions.
Green Synthesis of Urea from Carbon Dioxide and Ammonia Catalyzed by Ultraporous Permanently Polarized Hydroxyapatite
Authors: Arnau Marc , Sanz Júlia , Turon Pau , Alemán Carlos , Sans Jordi 
Published: November 2024

AbstractThe sustainable synthesis of urea from ammonia (NH3) and carbon dioxide (CO2) using ultraporous permanently polarized hydroxyapatite (upp‐HAp) as catalyst has been explored as an advantageous CO2‐revalorization strategy. As the simultaneous activation of N2 and CO2 (single‐step) demands an increase of the reaction conditions, we have re‐visited the industrial two‐step Bazarov reaction. upp‐HAp has been designed as a stable multifunctional catalyst capable of promoting both CO2 and NH3 adsorption for their subsequent C−N bond formation. Herein we report the synthesis of 1 mmol/gcat of urea with a selectivity of 97 % under strictly mild conditions (95–120 °C and 1 bar of CO2; without applying any electrical currents or UV irradiation) which represents an efficiency of ~2 % and ~30 % with respect to the NH3 and CO2 content, respectively. The study of the NH3 content, products adsorbed in the catalyst, presence of intermediates and temperature of the reaction allows unveiling the great potential of upp‐HAp as a green catalyst for sustainable Bazarov reactions. Results suggest that the double‐step approach could be more advantageous for both synthesizing urea and as a CO2‐revalorization strategy, which in turn promotes the development of specific technologies for the independent synthesis of green NH3.
Landscape use by prey: Bottom‐up regulation prevails under reduced predation risk
Authors: Rocha Filipe , Chicomo Milcíades , Lages Fernanda , Monterroso Pedro 
Published: November 2024

AbstractResource specialist herbivores may suppress antipredator strategies to access scarcely available key resources, while proactive antipredator behaviors should be favored by generalists or when resources are abundant. We quantified the relative effects of predation‐ (top‐down) and resource‐driven (bottom‐up) constraints on spatiotemporal patterns of landscape use by a prey community in a dynamic system under low predator abundance, and investigated how prey manage the risk posed by predators with different hunting strategies. We fitted Royle–Nichols co‐abundance models to camera‐trapping data collected between 2017 and 2019 in Bicuar National Park (Angola), to assess spatial association/segregation across predator–prey dyads, while accounting for the effects of water and food availability during dry and wet seasons. We further estimated pairwise seasonal differences in diel activity overlap between predator and prey. We failed to detect spatiotemporal proactive antipredator responses either toward the cursorial or ambush predator. The community‐wide predator–prey association patterns we found support that predation pressure is insufficient to displace prey from their preferred habitats or to adjust their endogenous clock, and support predominantly bottom‐up regulated behaviors. We suggest that, in landscapes where predator density is low, limited perception of risk may prevent the employment of proactive antipredator behavior.
Women's rugby as a catalyst for advancing female‐specific science and safety in sport
Authors: Saynor Zoe L. , Hassan Amal , Wilson Fiona 
Published: November 2024

AbstractWomen's rugby is experiencing unprecedented growth and professionalisation, yet the research underpinning player welfare and performance remains significantly underdeveloped. This special issue of the European Journal of Sport Science addresses the critical need for evidence‐based practices tailored to female rugby players. Current literature is predominantly male‐focused, despite known sex differences impacting training, injury mechanisms and health outcomes. In particular, the underrepresentation of female‐specific studies presents risks to player safety and performance optimisation. This issue presents cutting‐edge research, from world‐leading interdisciplinary experts and applied practitioners, on three main themes: female‐specific injury and illness surveillance and education, tackle safety and performance, and intersectional research agendas. Contributions include insights into female‐specific health domains, such as breast and pelvic floor health, emphasising the need for tailored care pathways and interventions. Additionally, the importance of gender‐responsive coaching and tackle skill acquisition is highlighted, advocating for progressive, context‐specific training frameworks. Moreover, an intersectional approach to research is proposed, to address the broader social and material contexts affecting marginalised women and girls in rugby. These findings aim to drive interdisciplinary, inclusive research, ensuring that the professionalisation of women's rugby is matched by advancements in scientific understanding and applied practice. This special issue not only celebrates the progress made, but also calls for ongoing efforts to bridge the knowledge gap, ensuring holistic support for female rugby players from participation, through to retirement and beyond.
Development and Characterization of Mikania, Kapok, Wool, Sugarcane, and Pineapple Fiber Reinforced Polyester Composite
Authors: Anan Rafid , Al Mahmud Hasan , Khan Tabriz Ahnaf , Sakib Md Sakib Ul Alam , Hossain Md Shahadhat 
Published: November 2024

ABSTRACTThis study utilizes plant‐derived fibers including Mikania, wool, kapok, sugarcane, and pineapple as strengthening additions to fabricated and tested reinforced polyester mixtures. This study aimed to examine the mechanical qualities and potential applications of these natural materials in boosting the effectiveness of polyester composites. The composites were formed by including natural fibers into a polyester base using a hand lay‐up preparation method. The finished samples received a complete assessment, covering tensile and impact testing as well as SEM analysis. The findings showed that incorporating natural materials like Mikania vines, wool, kapok fuzz, sugarcane fibers, and pineapple leaves had a notably positive effect on the mechanical features of the plastic composites. The tensile strength of the material combined pineapple was particularly high, achieving a maximum stress of 42.4822 N/mm2 and a maximum stretch of 4.27950%. Similarly, that same composite exhibited a maximum stretch of 3.75753% and a maximum stress of 77.4922 N/mm2 during the bending experiment. The substances exhibiting the strongest impact endurance, as determined by the impact assessment, included kapok, Mikania, wool, pineapple, and sugarcane. The kapok provided an impact toughness of 1.2 N m, which was somewhat elevated. This research offers a precious understanding of using natural fibers as strengthening additives in polyester composites, demonstrating their flexible perspective for many uses. The discoveries present hopeful possibilities for additional examination and progression in composite materials, consequently advancing the development of sustainable materials.