bluuebunny/crossref_metadata_2025_split huggingface dataset:
Turning Ultra‐Low Coercivity and Ultra‐High Temperature Stability Within 897 K via Continuous Crystal Ordering Fluctuations
Authors: Lang Runqiu , Chen Haiyang , Zhang Jinrong , Li Haipeng , Guo Defeng , Kou Jianyuan , Zhao Lei , Fang Yikun , Wang Xiaoqiang , Qi Xiwei , Wang Yan‐dong , Ren Yang , Wang Haizhou 
Published: May 2024

AbstractHigh‐performance soft magnetic materials are important for energy conservation and emission reduction. One challenge is achieving a combination of reliable temperature stability, high resistivity, high Curie temperature, and high saturation magnetization in a single material, which often comes at the expense of intrinsic coercivity–a typical trade‐off in the family of soft magnetic materials with homogeneous microstructures. Herein, a nanostructured FeCoNiSiAl complex concentrated alloy is developed through a hierarchical structure strategy. This alloy exhibits superior soft magnetic properties up to 897 K, maintaining an ultra‐low intrinsic coercivity (13.6 A m−1 at 297 K) over a wide temperature range, a high resistivity (138.08 µΩ cm−1 at 297 K) and the saturation magnetization with only a 16.7% attenuation at 897 K. These unusual property combinations are attributed to the dual‐magnetic‐state nature with exchange softening due to continuous crystal ordering fluctuations at the atomic scale. By deliberately controlling the microstructure, the comprehensive performance of the alloy can be tuned and controlled. The research provides valuable guidance for the development of soft magnetic materials for high‐temperature applications and expands the potential applications of related functional materials in the field of sustainable energy.
Mapping the Binary Covalent Alloy Space to Pursue Superior Nitrogen Reduction Reaction Catalysts
Authors: Tezak Cooper R. , Gerits Sophie , Rich Benjamin , Sutton Christopher , Singstock Nicholas , Musgrave Charles B. 
Published: May 2024

AbstractThe electrochemical nitrogen reduction reaction (NRR) has the potential to decarbonize industrial ammonia production. However, NRR has poor activity and selectivity versus the competing hydrogen evolution reaction for catalysts that adhere to scaling relations. Overcoming the limitations imposed by scaling relations requires more complex catalyst materials, however, evaluating materials beyond simple metal systems is a large combinatorial problem that requires an improved understanding of the electrocatalyst surface to rationally guide the discovery of superior catalysts. The study uses grand canonical density functional theory to uncover NRR trends on a large and disparate set of binary covalent alloys (BCA) with variable compositions and active‐site geometries. The studied BCAs generally follow scaling relations, albeit with larger variance and several systems that significantly break scaling. BCAs with early‐ to mid‐transition metals tend to lie near the volcano peak and activate the N2 triple bond via a side‐on binding configuration. Trends in the BCA space cannot be readily predicted using simple electronic descriptors, which is ascribed to the large geometric variability of the BCA surfaces. It is anticipated that these findings will provide a foundation for the rational design of superior NRR electrocatalysts with increasing material complexity.
Atomic Sn Encapsulation with Visualizing Mitigated Active Zinc Loss toward Anode‐Lean Zinc Metal Battery
Authors: Zhang Xinren , Qu Changzhen , Zhang Xiuhai , Peng Xu , Qiu Yuqian , Su Yanxia , Zeng Jianrong , Liu Zhe , Liu Xingrui , Qi Weihong , Wang Hongqiang , Xu Fei 
Published: May 2024

AbstractAqueous Zn ion batteries promise high safety and sustainability for large‐scale energy storage but are severely impeded by catastrophic dendrite growth and parasitic reactions of Zn anode with irreversible Zn loss. Constructing ultrafine zincophilic seeding sites in hosting interphases has emerged as a viable strategy for reversible plating/stripping. Nevertheless, systematic unravelling of downsized nucleation sites and spatial distribution along with manifesting active Zn loss mechanism, remains scant yet imperative. Herein the atomic Sn encapsulated in hollow carbon spheres is proposed (At‐Sn@HCN) as interphase combined with in situ optical microscope for visualizing the active Zn loss. The atomic‐level Sn serves as robust nucleation sites to minimize nucleation barrier while the hollow architecture homogenizes the local charge distribution. Consequently, dense Zn deposition is visualized with neglected Zn loss for At‐Sn@HCN, in sharp contrast to hollow carbon spheres (HCN) and bulk Sn‐loaded HCN visualizing dead Zn formation and interphase peeling off, respectively. Consequently, the full cells achieve prolonged cycling under anode‐lean configuration for 500 cycles, and even can be stably operated under negative to positive areal capacity ratio of 2.2 with alleviated decay rate, superior to those of most reported literatures. These findings open up new horizons for practical deployment of Zn metal batteries.
Massive pericardial effusion in an infant with Aymé–Gripp syndrome: A case report and review of the literature
Authors: Esposito Arianna , Niceta Marcello , Novelli Antonio , Magliozzi Monia , Parlapiano Giovanni , Baban Anwar , Perrone Marco Alfonso 
Published: May 2024

AbstractAymé–Gripp syndrome (AYGRPS) is a multisystemic disorder caused by a subset of pathogenic variants in the MAF gene. Major clinical features include bilateral early cataracts, sensorineural hearing loss (SNHL), and a characteristic facial appearance along with variable neurodevelopmental delay. Pericarditis resulting in pericardial effusion of varying degree has been observed in a subset of affected individuals and could represent a severe feature in neonatal or infantile age. Here, we describe a syndromic infant with massive pericardial effusion and craniofacial features that oriented toward the suspicion of AYGRPS, which was subsequently confirmed by the molecular analysis of MAF. Pericardial effusion was first observed prenatally and documented to be recurrent, progressive, and severe in the first months of life, thus requiring pericardiocentesis and surgical procedures. In this report, we provide further delineation of the minor clinical characteristics, particularly focusing on cardiac features of AYGRPS. A dedicated cardiac surveillance of these findings may help reduce the morbidity and mortality of this rare condition.
Illusions of Self‐Motion during Magnetic Resonance‐Guided Focused Ultrasound Thalamotomy for Tremor
Authors: Ciocca Matteo , Jameel Ayesha , Yousif Nada , Patel Neekhil , Smith Joely , Akgun Sena , Jones Brynmor , Gedroyc Wlayslaw , Nandi Dipankar , Tai Yen , Seemungal Barry M. , Bain Peter 
Published: May 2024

ObjectiveBrain networks mediating vestibular perception of self‐motion overlap with those mediating balance. A systematic mapping of vestibular perceptual pathways in the thalamus may reveal new brain modulation targets for improving balance in neurological conditions.MethodsHere, we systematically report how magnetic resonance‐guided focused ultrasound surgery of the nucleus ventralis intermedius of the thalamus commonly evokes transient patient‐reported illusions of self‐motion. In 46 consecutive patients, we linked the descriptions of self‐motion to sonication power and 3‐dimensional (3D) coordinates of sonication targets. Target coordinates were normalized using a standard atlas, and a 3D model of the nucleus ventralis intermedius and adjacent structures was created to link sonication target to the illusion.ResultsA total of 63% of patients reported illusions of self‐motion, which were more likely with increased sonication power and with targets located more inferiorly along the rostrocaudal axis. Higher power and more inferiorly targeted sonications increased the likelihood of experiencing illusions of self‐motion by 4 and 2 times, respectively (odds ratios = 4.03 for power, 2.098 for location).InterpretationThe phenomenon of magnetic vestibular stimulation is the most plausible explanation for these illusions of self‐motion. Temporary unilateral modulation of vestibular pathways (via magnetic resonance‐guided focused ultrasound) unveils the central adaptation to the magnetic field‐induced peripheral vestibular bias, leading to an explicable illusion of motion. Consequently, systematic mapping of vestibular perceptual pathways via magnetic resonance‐guided focused ultrasound may reveal new intracerebral targets for improving balance in neurological conditions. ANN NEUROL 2024;96:121–132
Allyl‐Allyl Coupling Promoted by Catalyst Systems with two Palladium Atoms – A Plethora of Potentially Pericyclic Processes
Authors: De Snoo William , Kong Wang‐Yeuk , Tantillo Dean J. 
Published: May 2024

AbstractRecently, Huang and co‐workers reported a catalytic reaction that utilizes H2 as the sole reductant for a C−C coupling of allyl groups with yields up to 96 %. Here we use computational quantum chemistry to identify several key features of this reaction that provide clarity on how it proceeds. We propose the involvement of a Pd−Pd bound dimer precatalyst, demonstrate the importance of ligand π‐π interactions and counterions, and identify a new, energetically viable, mechanism involving two dimerized, outer‐sphere reductive elimination transition structures that determine both the rate and selectivity. Although we rule out the previously proposed transmetalation step on energetic grounds, we show it to have an unusual aromatic transition structure in which two Pd atoms support rearranging electrons. The prevalence of potential metal‐supported pericyclic reactions in this system suggests that one should consider such processes regularly, but the results of our calculations also indicate that one should do so with caution.
Understanding Spin‐Triplet Excited States in Carbene‐Metal‐Amides
Authors: Reponen Antti‐Pekka M. , Londi Giacomo , Matthews Campbell S. B. , Olivier Yoann , Romanov Alexander S. , Greenham Neil C. , Gillett Alexander J. 
Published: May 2024

AbstractCarbene‐metal‐amides (CMAs) are emerging delayed fluorescence materials for organic light‐emitting diode (OLED) applications. CMAs possess fast, efficient emission owing to rapid forward and reverse intersystem crossing (ISC) rates. The resulting dynamic equilibrium between singlet and triplet spin manifolds distinguishes CMAs from most purely organic thermally activated delayed fluorescence emitters. However, direct experimental triplet characterization in CMAs is underutilized, limiting our detailed understanding of the ISC mechanism. In this work, we combine time‐resolved spectroscopy with tuning of state energies through environmental polarity and metal substitution, focusing on the interplay between charge‐transfer (3CT) and local exciton (3LE) triplets. Unlike previous photophysical work, we investigate evaporated host : guest films of CMAs and small‐molecule hosts for increased device relevance. Transient absorption reveals an evolution in the triplet excited‐state absorption (ESA) consistent with a change in orbital character between hosts with differing dielectric constants. Using quantum chemical calculations, we simulate ESAs of the lowest triplet states, highlighting the contribution of only 3CT and donor‐moiety 3LE states to spectral features, with no strong evidence for a low‐lying acceptor‐centered 3LE. Thus, our work provides a blueprint for understanding the role of triplet excited states in CMAs which will enable further intelligent optimization of this promising class of materials.
Deep Red Light Driven Hydrogen Evolution by Heterojunction Polymer Dots for Diabetic Wound Healing
Authors: Mi Feixue , Liu Zhao , Wang Xinyu , Wang Yingjie , Yang Junfeng , Wang Zhe , Yin Shengyan , Fang Xiaofeng , Shu Peng , Zhang Xuanjun , Wu Changfeng 
Published: May 2024

AbstractWe describe small heterojunction polymer dots (Pdots) with deep‐red light catalyzed H2 generation for diabetic skin wound healing. The Pdots with donor/acceptor heterojunctions showed remarkably enhanced photocatalytic activity as compared to the donor or acceptor nanoparticles alone. We encapsulate the Pdots and ascorbic acid into liposomes to form Lipo‐Pdots nanoreactors, which selectively scavenge ⋅OH radicals in live cells and tissues under 650 nm light illumination. The antioxidant capacity of the heterojunction Pdots is ~10 times higher than that of the single‐component Pdots described previously. Under a total light dose of 360 J/cm2, the Lipo‐Pdots nanoreactors effectively scavenged ⋅OH radicals and suppressed the expression of pro‐inflammatory cytokines in skin tissues, thereby accelerating the healing of skin wounds in diabetic mice. This study provides a feasible solution for safe and effective treatment of diabetic foot ulcers.
Nonflammable Phosphate‐Based Electrolyte for Safe and Stable Potassium Batteries Enabled by Optimized Solvation Effect
Authors: Zhang Dianwei , Fu Hongwei , Ma Xuemei , Yu Xinzhi , Li Fuxiang , Zhou Jiang , Lu Bingan 
Published: May 2024

AbstractCurrent potassium‐ion batteries (PIBs) are limited in safety and lifetime owing to the lack of suitable electrolyte solutions. To address these issues, herein, we report an innovative non‐flammable electrolyte design strategy that leverages an optimal moderate solvation phosphate‐based solvent which strikes a balance between solvation capability and salt dissociation ability, leading to superior electrochemical performance. The formulated electrolyte simultaneously exhibits the advantages of low salt concentration (only 0.6 M), low viscosity, high ionic conductivity, high oxidative stability, and safety. Our electrolyte also promotes the formation of self‐limiting inorganic‐rich interphases at the anode surface, alongside robust cathode‐electrolyte interphase on iron‐based Prussian blue analogues, mitigating electrode/electrolyte side reactions and preventing Fe dissolution. Notably, the PIBs employing our electrolyte exhibit exceptional durability, with 80 % capacity retention after 2,000 cycles at high‐voltage of 4.2 V in a coin cell. Impressively, in a larger scale pouch cell, it maintains over 81 % of its initial capacity after 1,400 cycles at 1 C‐rate with high average Coulombic efficiency of 99.6 %. This work represents a significant advancement toward the realization of safe, sustainable, and high‐performance PIBs.
Novel modified polyethersulfone high temperature and low humidity fuel cell membrane: Experimental and simulation study
Authors: Al Mesfer Mohammed K. , Al‐Dahhan Muthanna H. , Danish Mohd , Shah Mumtaj 
Published: May 2024

AbstractThe present study focuses on synthesizing a high‐temperature stable membrane working under low relative humidity (RH) by aminating the traditional polyethersulfone polymer with aniline for fuel cell applications. A condensed‐phase optimized molecular potentials for atomistic simulation studies force field‐based molecular dynamics simulation was used to explore the microscopic properties and transport of water and hydronium (H3O+) ions across the electrolyte at varied temperatures and RHs. COMSOL calculates oxygen and hydrogen concentrations after examining the polymer–ion interaction with the radial distribution function (RDF). The high H3O+ diffusion coefficient of the aniline‐treated membrane shows the benefit of the modification. The RDF confirmed the high interaction of the amine group with H3O+ and water. The high proton conductivity of 0.18 Scm−1 at 150°C with 33% RH for the aniline‐treated membrane was obtained, which was further investigated in COMSOL software to determine the hydrogen and oxygen concentration at the anode and cathode sides, respectively. Both electrodes' water transportation profiles were simulated numerically. The aniline‐treated membrane's good findings suggest high‐temperature proton exchange fuel cell membrane potential.
Preparation of functionalizable poly(propylene–styrene)/polyacrylonitrile millimeter‐scale particles with core‐shell morphology
Authors: Gurgel Danyelle , Henriques Rosana Oliveira , Conradi Vitor , de Oliveira Debora , Machado Ricardo Antonio Francisco , Pinto José Carlos , Junior Agenor Furigo , Oechsler Bruno Francisco 
Published: May 2024

AbstractCore‐Shell (CS) polymeric particles have attracted great interest due to their high mechanical, thermal, and chemical stability and their surface properties. In this study, functionalizable CS poly(propylene/styrene)/poly(acrylonitrile) (PP/PS/PAN) particles were prepared through heterogeneous polymerizations in a batch reactor. Commercial PP particles and PP/PS particles (prepared by seeded suspension polymerization of styrene (Sty) on PP spheres) were applied as core components of the final structure, while the shell was prepared through acrylonitrile dispersion polymerization. The degree of swelling of the core particles by Sty played an important role for the adhesion of the PAN shell, which for PP particles was 24 wt%, whereas for PP/PS hybrid particles it was 57 wt%. The particles (PP/PS and CS) were characterized through image analysis, revealing a uniform and smooth surface for PP/PS spheres and a uniform porous shell for CS particles. Particle size distributions, thermal degradation, chemical structures, degrees of crystallinity, and textural properties were also evaluated. The PAN shell adhered to the PP/PS particles without forming a copolymer, and the CS particles formed by a PP/PS core and PAN shell had sizes of 4.54 ± 1.24 mm, specific area of 2.70 m2g−1 and PAN content of 15.98 ± 0.82% (m/m) of total particles.
Optimizing Green Synthesis of Hydrotalcite – Silver Nanoparticles using Syzygium Nervosum based Reducing Agent
Authors: Thai Nguyen Xuan , Chinh Nguyen Thuy , Linh Bui Thao , Thuy Tran Thanh , Hoang Thai 
Published: May 2024

AbstractHydrotalcite–silver (HT−Ag) nanoparticles have been involved in various daily crucial applications, such as antibacterial, photocatalytic, adsorption, etc. There are many approaches to synthesizing silver nanoparticles (AgNPs) decorated on hydrotalcite (HT) surface and the most used approach is using a strong reducing agent. Thus, affordable but effective “green” reducing agents – Syzygium nervosum leaf extract, are taken into account in this work to solve several issues related to chemical reducing agents. This work aimed to assess the effect of Syzygium nervosum leaf extract as a reducing agent for green synthesis of AgNPs on HT through an optimizing process using response surface methodology (RSM) and the Box‐Benken model. The optimal conditions for the synthesis of AgNPs on HT include a reaction time of 6.15 hours, a reaction temperature of 50 °C, and the ratio of diluted Syzygium nervosum leaf extract to reduce AgNO3 of 50.37 mL/mg. Under the optimal conditions, the yield of the reduction reaction reached 77.54 %, close to the theoretical value of 76.97 %. The optimization model was suitable for the experiment data. Besides, the morphology, density, and characteristics of AgNPs on the surface of HT layers have been determined by using Ultraviolet‐visible spectroscopy, Field emission scanning electron microscopy (FESEM), High‐resolution transmission electron microscopy (HR‐TEM), selected area diffraction, X‐ray diffraction, Dynamic light scattering (DLS), Infrared (IR) spectroscopy, Fluorescence emission spectroscopy (FE), Brunauer‐Emmett‐Teller (BET) methods. The spherical AgNPs were synthesized successfully on the surface of HT with the average particle size of 13.0±1.1 nm. Interestingly, HT−Ag hybrid materials can inhibit strongly the growth of E. coli, S. aureus as well as two antibiotic resistance bacterial strains, P. stutzeri B27, and antibiotic resistance E. coli. Especially, the antibacterial activity quantification and durability of the HT−Ag hybrid materials were also tested. Overall, the HT−Ag hybrid materials are very promising for application in material science and biomedicine fields.
Computational fluid dynamics based digital twins of fixed bed bioreactors validate scaling principles for recombinant adeno‐associated virus gene therapy manufacturing
Authors: Hill Michael , White Colten , Wang Shaoying , Thomas John , DeVincentis Brian , Singh Nripen 
Published: May 2024

AbstractGene therapy using recombinant adeno‐associated virus (rAAV) as delivery vehicles has garnered much interest in recent years. There are still significant gaps in our fundamental understanding of the manufacturing processes to deliver sufficient products. Manufacturing efforts of rAAV using HEK293 cells have commonly relied on fixed bed falling film bioreactors like the iCELLis®. We used computational fluid dynamics (CFD) to validate the operating conditions required for a predictive iCELLis® 500 scale‐down model. The small‐scale and at‐scale systems have different flow paths causing validation of the corresponding agitation rates required to achieve the same linear flow through the fixed bed across scales to be non‐trivial. Therefore, we used CFD to predict the theoretical scaling relationship. In addition, CFD could predict kLa differences between the two systems and the operating conditions required to match kLa between scales. We also confirmed that the location of DO control must be the same in both systems to achieve proper scaling. Experimental runs confirming the validity of the novel scale‐down model showed that based on the modifications to the iCELLis® Nano system, we achieved similar DO, key metabolite, pH, and GC titer trends in both systems.
Impact of business strategy on carbon emissions: Empirical evidence from U.S. firms
Authors: Houqe Muhammad Nurul , Abdelfattah Tarek , Zahir‐ul‐Hassan Muhammad Kaleem , Ullah Subhan 
Published: May 2024

AbstractThis study examines the nexus between business strategy and carbon emissions by utilising a dataset of U.S. firms from 2007 to 2020. It focuses on two broad types of firms, that is, prospectors and defenders. Regarding carbon emissions, we consider total emissions (Scope 1 & 2), direct emissions (Scope 1) and indirect emissions (Scope 2). The results reveal a significant association between business strategy and total carbon emissions as well as direct carbon emissions. Notably, the results suggest that prospectors, compared to defenders, display higher levels of total and direct carbon emissions. Our findings contribute to the debate on whether prospectors in developed countries mismanage sustainability issues. The study offers valuable insights into the interplay between business strategy and carbon emissions and provides empirical evidence that business strategy is an important determinant of total and direct carbon emissions.
Structural Characterization and Screening for Anti‐inflammatory Activity of Polysaccharides with Different Molecular Weights from Astragali Radix
Authors: Fan Xinhui , Li Ke , Qin Xuemei , Li Zhenyu , Du Yuguang 
Published: May 2024

AbstractAstragali Radix polysaccharides (APSs) exhibit a broad spectrum of biological activity, which is mainly related to immune regulation. At present, most available studies focus on total APSs or a certain component of APSs. However, systematic structural study and screening for the anti‐inflammatory activity of polysaccharides with different molecular weights (MW) have yet to be conducted. In this study, lipopolysaccharide (LPS)‐induced RAW264.7 macrophages were used as a model to investigate the anti‐inflammatory activity of APSs and its fractions. The results revealed that fraction APS‐I had better anti‐inflammatory effects than APS‐II. After APS‐I was hydrolyzed by trifluoroacetic acid (TFA), the resulting degradation products oligosaccharides were fully methylated. These derivatized oligosaccharides were further analyzed by MALDI‐TOF‐MS and UPLC‐Q‐Exactive‐MS/MS. The results showed that APS‐I was a hetero‐polysaccharide with a molecular weight of about 2.0×106 Da, mainly consisting of glucose (46.8 %) and galactose (34.4 %). The degree of polymerization of Astragali Radix oligosaccharides (APOS) was 2–16. APOS were identified as 1,4‐glucooligosaccharides and 1,4‐galactooligosaccharides. The findings of this study lay the foundation for further elucidation of structure‐function relationships of APSs and provide guidance for the development of anti‐inflammatory drugs.