bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Multi‐Site Synergistic Effect in High‐Entropy Alloy for Efficient Hydrogen Evolution
Authors: Wan Yi , Wei Wenrui , Ding Shengqi , Wu Liang , Qin Haiying , Yuan Xianxia 
Published: October 2024

AbstractUnraveling the mechanism driven by electronegativity‐dominated electronic configuration is crucial for developing high‐entropy alloys as efficient catalyst for hydrogen evolution reaction (HER). In this work, different atoms with diverse electronegativities are explored to regulate the electrocatalytic activity of PtFeCoNi@HCS toward HER, resulting in PtFeCoNiCuCr@HCS with an overpotential of 29 mV at 10 mA cm−2 and enhanced durability surpassing that of commercial 20% Pt/C in KOH environment. Based on various physicochemical and electrochemical techniques as well as density functional theory calculations, a multi‐site synergistic effect within PtFeCoNiCuCr@HCS material is elucidated in terms of both structural composition and electrocatalytic process. Briefly, Pt and Cu serve as the fundamental elements to form face‐centered cubic crystal framework, Cr primarily functions as an electron donor to regulate the electronic configuration, Co serves as the main active site for water dissociation, and the produced hydrogen species prefer to transfer toward Pt, Fe, and Cu sites for hydrogen formation. This work offers an in‐depth insight on the synergistic mechanism in high entropy alloys and is helpful for designing efficient electrocatalysts.
Data Mining Evoking Scintillators Auto‐Discovery for Low‐LoD High‐Resolution Deep‐Penetrating X‐Ray Imaging of Portable Digital Radiography
Authors: Zhang Shaoan , Li Zhenzhang , Ye Huacong , An Ximei , Xu Jialong , Chen Zhishan , Chen Yiqing , Fang Zaijin , Sun Shilian , Qiu Jianrong , Li Yang 
Published: October 2024

AbstractThe advancement of portable X‐ray digital radiography devices is currently hindered by the limited penetration depth, limit of detection (LoD), and spatial resolution of commercially available scintillators for X‐ray imaging. In this study, data mining engineering is proposed to boom X‐ray imaging quality via the auto‐discovery of potentially overlooked inorganic scintillators. This mining criteria encompassed the comprehensive set of screening parameters, including equivalent substitution, structural rigidity, effective atomic number, and material density. Among 27 389 potential candidates identified in this analysis, Lu2WO6:Eu3+ scintillator is successfully mined with the feature of light yield at ≈27 600 photons/MeV. This scintillator exhibits a low LoD of ≈8.5 nGyair s−1‐ significantly lower than the standard dosage typically employed in X‐ray diagnostics. It also demonstrats exceptional reliability in terms of penetration depth and spatial resolution for X‐ray imaging at distances of 51.9 mm and line pairs per millimeter values of 18.2, respectively. The peripheral X‐ray leakage dose of the portable DR device is restricted to only 682 uSv h−1, thus ensuring safe usage without necessitating additional protective measures while enabling various applications such as indoor or outdoor high‐voltage wire damage detection and field first aid.
Cognate Cobalt Core‐Shell Structure Decorated Nitrogen‐Doped Hollow Carbon Bowls Triggering Advanced Zinc‐Air Battery
Authors: Wang Fengbo , Wang Lu , Wang Bin , Jing Zhongxin , Ding Dong , Yang Xiaofan , Kong Yueyue , Dou Jianmin , Mamoor Muhammad , Xu Liqiang 
Published: October 2024

AbstractIt is of paramount importance but challenging to construct interface structure in metals with good interfacial compatibility and high conductivity to yield superior bifunctional oxygen electrocatalyst for rechargeable Zn‐air battery (ZAB). In this work, bowl‐like hybrid structures have been designed and fabricated by decorating cognate cobalt core‐shell structure on the N‐doped hollow porous carbon bowls. Such a unique design not only can systematically boost the advantages of hollow porous bowl‐like structure but also demonstrate the universality of synthetic strategy. The experimental and density functional theory calculations elucidate that the excellent bifunctional electrocatalytic activity (ΔE = 0.71 V) of the hybrid catalyst is attributed to the spontaneous integration of a conductive Co metal core with cognate active Co3O4 shell (≈ 4 nm). The core‐shell configuration facilitates the optimization of the desorption/adsorption energy barriers for oxygen‐containing intermediates through efficient electron transfer mediated by the heterogeneous structure. As a flexible ZAB cathode, the cognate cobalt catalyst exhibits long‐term durability (60 h at 1 mA cm−2) and excellent bendable stability, demonstrating its promising potential in practical applications.
Effective Surface Engineering for Defect Passivation and Reduction of Water Oxidation Overpotential in Benchmark 2D 𝛼‐SnWO4 Nanoplate Photoanodes
Authors: Anand Anitesh , Raj Aditya , Mondal Debayan , Maity Dipanjan , Ganesha Mukhesh K. , Singh Ashutosh K. , De Debasis , Khan Gobinda Gopal 
Published: October 2024

AbstractStannous tungstate (α‐SnWO4) is a highly anticipated next‐generation metal oxide photoanode for photoelectrochemical (PEC) water oxidation because of its narrow bandgap (1.9 eV) and favorable band edge positions. Despite its high theoretical photocurrent density, its practical applicability is constrained because of poor charge transfer ability and severe surface charge recombination due to the surface states leading to slow water oxidation kinetics. Here, the effective nanoarchitectural design and surface Cl‐modification of solvothermally fabricated (121) facet 2D α‐SnWO4 nanoplates arrays for PEC water splitting are demonstrated. The Cl:α‐SnWO4 photoanode delivers the benchmarking photocurrent density of 1.9 mA. cm−2 at 1.23 VRHE under AM1.5G radiation (100 mW cm−2). Surface Cl‐modification improves the visible light harvesting performance and reduces nonradiative photocarrier recombination through surface defect passivation. The DFT studies confirm the favorable tuning of electronic structure and increased delocalization of the surface Sn orbital due to Cl‐doping in SnWO4 boosting the photogenerated hole mobility and injection at the interface. DFT simulations reveal that the surface Cl‐doping also reduces the water oxidation overpotential, increasing the OER kinetics of the Cl‐SnWO4 photoanode. This study establishes practical and straightforward strategies to empower the water‐splitting performance of the α‐SnWO4 photoanode through nanoscale architecture, facet, and surface engineering.
Picometer‐Level In Situ Manipulation of Ferroelectric Polarization in Van der Waals layered InSe
Authors: Gao Hanbin , Liu Ziyuan , Gong Yue , Ke Changming , Guo Ning , Wu Juanxia , Zeng Xin , Guo Jianfeng , Li Songyang , Cheng Zhihai , Li Jiawei , Zhu Hongwei , Zhang Li‐Zhi , Liu Xinfeng , Liu Shi , Xie Liming , Zheng Qiang 
Published: October 2024

AbstractFerroelectric 2D van der Waals (vdW) layered materials are attracting increasing attention due to their potential applications in next‐generation nanoelectronics and in‐memory computing with polarization‐dependent functionalities. Despite the critical role of polarization in governing ferroelectricity behaviors, its origin and relation with local structures in 2D vdW layered materials have not been fully elucidated so far. Here, intralayer sliding of approximately six degrees within each quadruple‐layer of the prototype 2D vdW ferroelectrics InSe is directly observed and manipulated using sub‐angstrom resolution imaging and in situ biasing in an aberration‐corrected scanning transmission electron microscope. The in situ electric manipulation further indicates that the reversal of intralayer sliding can be achieved by altering the electric field direction. Density functional theory calculations reveal that the reversible picometer‐level intralayer sliding is responsible for switchable out‐of‐plane polarization. The observation and manipulation of intralayer sliding demonstrate the structural origin of ferroelectricity in InSe and establish a dynamic structural variation model for future investigations on more 2D ferroelectric materials.
NixB/Mo0.8B3 Nanorods Encapsulated by a Boron‐Rich Amorphous Layer for Universal pH Water Splitting at the Ampere Level
Authors: Rafiq Madiha , Harrath Karim , Feng Meijun , Li Rui , Woldu Abebe Reda , Chu Paul K. , Hu Liangsheng , Lu Fushen , Yao Xiangdong 
Published: October 2024

AbstractHeterostructured interfaces are crucial to electrocatalysts for water splitting. Herein, coral‐like multiheterostructured NixB/Mo0.8B3 (NMB) nanorods encapsulated by a boron‐rich amorphous layer are prepared for water splitting. Density‐functional theory (DFT) calculations indicate that the NMB interface adjusts the d‐band center and electronic structure of the molybdenum sites. Owing to the strong electronic coupling between Ni, Mo, and B at the heterojunction, large number of exposed catalytic active sites, as well as the special hydrophilic characteristics endowed by the surrounding amorphous layer, the NMB catalyst exhibits remarkable universal‐pH hydrogen evolution reaction (HER) activity with low overpotentials (η) of 15, 26, and 83 mV to deliver 10 mA cm−2 in basic, acid, and neutral media, respectively, and outstanding oxygen evolution reaction (OER) characteristics in the basic medium with η10 and η500 of 170 and 420 mV, respectively. The unique self‐supporting 3D hierarchical interconnected structure facilitates mass transport thus leading to high mechanical stability for 450 and 200 h in HER and OER at ≈1000 mA cm−2. More importantly, the NMB exhibits excellent performance toward overall‐water electrolysis as a bifunctional catalyst with ultralow cell voltages of 1.45/1.56/1.85 V @ 10/100/1000 mA cm−2, demonstrating the large potential in industrial water splitting applications.
Disordered Order Enables High Out‐of‐Plane ZT in PbSnS2 Crystals
Authors: Zhan Shaoping , Wen Yi , Qin Bingchao , Bai Shulin , Qiu Yuting , Wang Siqi , Hong Tao , Liu Dongrui , Zheng Lei , Gao Xiang , Zhu Yingcai , Tan Qing , Zhao Li‐Dong 
Published: October 2024

AbstractHigh‐performance thermoelectric materials enable waste heat recovery, providing an effective avenue for sustainable development. The concept of “phonon‐glass electron‐crystal” is considered as an ideal approach to achieve high‐performance thermoelectric materials. However, achieving this perfect state remains a significant challenge due to the coupled transport parameters. In this work, long‐range order and short‐range disorder (disordered order) in n‐type PbSnS2 crystals are successfully realized through alloying Se, which enable the synergistic optimization of electron and phonon transport. The improvement of crystal symmetry weakens the distortion of the average long‐range order, leading to a high carrier mobility and promoted electrical transport performance. Meanwhile, the local structure analyzed by X‐ray absorption fine structure spectra reveals a strengthened short‐range disorder, resulting in the enhanced phonon scattering and thus ultralow lattice thermal conductivity. As a result, the disordered order enables a high ZT ≈ 1.7 in PbSnS2‐Cl‐30%Se crystal at 733 K along the out‐of‐plane direction. Moreover, the single‐leg device fabricated using this crystal produces a power generation efficiency of ≈7.2% at temperature difference of 378 K. This work demonstrates the realistic feasibility of disordered order to fulfill the ideal “phonon‐glass electron‐crystal” thermoelectric material, which opens up new avenues for performance optimization.
Examining the effect of soil organic carbon on major Canadian Prairie crop yields with predictive soil mapping
Authors: Sorenson P. T. , Shirtliffe S. , Bedard‐Haughn A. K. 
Published: October 2024

AbstractMaintaining soil organic carbon (SOC) is critical for global food security as it is essential for soil functions that sustain crop yields. There has been an increase in predictive soil mapping, which when combined with extensive crop yield datasets, enables a better understanding of crop yield and SOC relationships. This study focused on updating maps of SOC content in Saskatchewan using recently digitized historical SOC datasets and predictive soil mapping, and using the maps to examine the relationship between SOC and crop yield. A database of 5014 SOC values was used to map SOC contents using a Random Forest model and a range of environmental covariates. The final SOC model had a R2 of 0.48, root mean square error of 0.98%, concordance correlation coefficient of 0.67, and a bias of 0.12%. The relationship between mapped SOC values and crop yield data, with 100,000–200,000 records depending on crop type, was then assessed using a linear mixed effects model after normalizing the data by rural municipality to remove broad‐scale climate effects. Overall, an increase in SOC by 1% led to an increase on average of 263 kg ha−1 for wheat (Triticum aestivum L.), 293 kg ha−1 for barley (Hordeum vulgare L.), 133 kg ha−1 for canola (Brassica napus L.), and 135 kg ha−1 for field peas (Pisum sativum L.). These results show that increasing SOC was associated with greater yields for four major crops in Saskatchewan, with the largest gains occurring when the initial SOC contents are lower.
Interactive effects of nitrogen and genotype on maize rough dwarf disease
Authors: Xu Junping , Mu Xiaohuan , Chen Zhe , Liang Jiaxing , Yuan Lixing , Mi Guohua , Ren Wei , Pan Qingchun , Chen Fanjun 
Published: October 2024

AbstractNitrogen and genotype play vital roles in modulating plant disease resistance. Maize (Zea mays L.) rough dwarf disease (MRDD) is a global viral disease that has caused serious yield losses. However, it is not clear how nitrogen and genotype interact to affect MRDD. We conducted field experiments in 2011 and 2013 to investigate the MRDD incidence, yield, and yield loss rate of 59 maize hybrids under high nitrogen (HN) and low nitrogen (LN). Compared with HN, the MRDD incidence and yield loss rate of S‐sensitive hybrids (nitrogen significantly influenced MRDD incidence in susceptible genotypes) could be significantly reduced by 50.6% and 35.5%, respectively, in LN without compromising maize yield. In contrast, R‐insensitive types (resistant hybrids in which MRDD incidence was unresponsive to nitrogen treatment) could maintain high MRDD resistance and yield at HN. US hybrid 78599 and inbred line Dan340 were the main parental resources of the resistant genotypes, and inbred lines Huangzao4 and Ye478 were the main parental resources of the susceptible genotypes. The physiological mechanism leading to increased MRDD incidence was thought to be higher nitrogen concentrations in the stalks. This study provided theoretical support for using reasonable nitrogen management to control MRDD and breeding MRDD‐resistant maize hybrids.
S100A9 induces tissue remodeling of human nasal epithelium in chronic rhinosinusitis with nasal polyp
Authors: Ahn Sang Hyeon , Oh Jun Taek , Kim Dae Hyun , Lee Eun Jung , Rha Min‐Seok , Cho Hyung‐Ju , Kim Chang‐Hoon 
Published: October 2024

AbstractBackgroundChronic inflammation triggers tissue remodeling in human nasal epithelial (HNE) cells. S100A9, a protein secreted by inflammatory cells, exhibits potent proinflammatory activity. However, its effect on HNE cell remodeling, such as squamous metaplasia, remains unclear. Therefore, this study aimed to determine the effects and underlying pathways of S100A9 on HNE cell remodeling and investigate its clinical implications in chronic rhinosinusitis (CRS).MethodsCultured HNE cells were treated with S100A9. Bulk RNA sequencing was performed to analyze gene ontology (GO). Ingenuity pathway analysis (IPA) and Kyoto Encyclopedia of Genes and Genomes (KEGG) were also analyzed. Additionally, immunohistochemistry and multiplex immunofluorescence were performed on tissue samples obtained from 60 patients, whose clinical informations were also reviewed.ResultsGO enrichment analysis indicated that S100A9 induced tissue remodeling in HNE cells toward squamous metaplasia. IPA and KEGG commonly showed that S100A9 affected HNE cells associated with the IL‐17 signaling pathway, including target molecules such as matrix metalloproteinase 1 (MMP1) and small proline‐rich protein 2A (SPRR2A). Squamous metaplasia with a marked expression of S100A9 was observed in 50% of CRS with nasal polyps (CRSwNPs). In addition, in multiplex immunofluorescence, the S100A9 in sub‐epithelium was co‐expressed with myeloperoxidase, a neutrophil marker, and MMP1 and SPRR2A were strongly expressed in epithelial remodeling. Clinically, the expression of S100A9 correlated with sino‐nasal outcome test‐22 (r = 0.294, p = 0.022) and Lund–Mackay scores (r = 0.348, p = 0.006).ConclusionS100A9 induces tissue remodeling in HNE cells. Its increased expression in CRSwNP, particularly squamous epithelium, correlates with disease severity. This suggests the clinical potential of S100A9 as a biomarker for CRS severity.
Neuronal hypofunction and network dysfunction in a mouse model at an early stage of tauopathy
Authors: Ji Changyi , Yang Xiaofeng , Eleish Mohamed , Jiang Yixiang , Tetlow Amber M. , Song Soomin C. , Martín‐Ávila Alejandro , Wu Qian , Zhou Yanmei , Gan Wenbiao , Lin Yan , Sigurdsson Einar M. 
Published: October 2024

AbstractINTRODUCTIONIt is unclear how early neuronal deficits occur in tauopathies, if these are associated with changes in neuronal network activity, and if they can be alleviated with therapies.METHODSTo address this, we performed in vivo two‐photon Ca2+ imaging in tauopathy mice at 6 versus 12 months, compared to controls, and treated the younger animals with a tau antibody.RESULTSNeuronal function was impaired at 6 months but did not deteriorate further at 12 months, presumably because cortical tau burden was comparable at these ages. At 6 months, neurons were mostly hypoactive, with enhanced neuronal synchrony, and had dysregulated responses to stimulus. Ex vivo, electrophysiology revealed altered synaptic transmission and enhanced excitability of motor cortical neurons, which likely explains the altered network activity. Acute tau antibody treatment reduced pathological tau and gliosis and partially restored neuronal function.DISCUSSIONTauopathies are associated with early neuronal deficits that can be attenuated with tau antibody therapy.Highlights
Neuronal hypofunction in awake and behaving mice in early stages of tauopathy.
Altered network activity disrupted local circuitry engagement in tauopathy mice.
Enhanced neuronal excitability and altered synaptic transmission in tauopathy mice.
Tau antibody acutely reduced soluble phospho‐tau and improved neuronal function.
Asymmetric Modification of Carbazole Based Self‐Assembled Monolayers by Hybrid Strategy for Inverted Perovskite Solar Cells
Authors: Huang Youle , Tao Mingquan , Zhang Yijing , Wang Zhihui , Sun Zhe , Zhang Wenfeng , Xiong Yonglian , Zong Xueping , Wang Yang , Liang Mao 
Published: October 2024

AbstractCarbazole‐based self‐assembled molecules (SAMs) are widely applied in inverted perovskite solar cells (iPSCs) due to their unique molecular properties. However, the symmetrical structure of the carbazole‐based SAMs makes it difficult to finely regulate their performance, which impedes the further enhancement of the efficiency and stability of iPSCs. This work demonstrates that by constructing an asymmetric carbazole core, 9H‐thieno[2′,3′ : 4,5]thieno[3,2‐b]indole) (TTID), the key properties of SAM molecules can be effectively regulated. It has been confirmed that the hybrid thieno[2,3‐b]thiophene unit of this asymmetric core governs the energy level, the surface wettability, and the defect passivation capability of the SAMs, while the substituent of core has a greater impact on the molecular dipole and device stability. The synergistic effects from thieno[2,3‐b]thiophene and fluorine lead to the KF‐derived iPSC demonstrating a certified power conversion efficiency (PCE) of 25.17 % and excellent operational stability. This hybrid design concept offers a promising approach for the further structural modification of SAMs in iPSCs.
Dyotropic Rearrangement of β‐Lactams: Reaction Development, Mechanistic Study, and Application to the Total Syntheses of Tricyclic Marine Alkaloids
Authors: Li Yunshan , Zhang Jingyang , Chen Yi , Pang Jiahua , Chen Yuejie , Tang Yefeng 
Published: October 2024

AbstractAn unprecedented dyotropic rearrangement of β‐lactams has been developed, which provides an enabling tool for the synthesis of structurally diverse γ‐butyrolactams. Unlike the well‐established dyotropic rearrangements of β‐lactones, the present reaction probably proceeds through a dual‐activation mode, and thus displays unusual reactivity and chemoselectivity. The combined computational and experimental results suggest that the dyotropic rearrangement of β‐lactams may proceed through different mechanisms depending on the nature of migrating groups (H, alkyl, or aryl). Hinging on a chemoselective H‐migration dyotropic rearrangement of β‐lactams, we have completed the divergent synthesis of tricyclic marine alkaloids (−)‐lepadiformine A, (+)‐cylindricine C, and (−)‐fasicularin within 11–12 longest linear steps.
Novel Eco‐Friendly Electrode: Copper Nanoparticle‐Doped MWCNTs for Green Electro‐Organic Synthesis of 1,2,3‐Triazoles With ChCl/Urea as a Solvent and Cocatalyst
Authors: Basem Ali , Sagdullaev Shomansur Sh. , Alaridhee Zaman Abdalhussein Ibadi , Altayeh Aiham O. , Jafar Nadhir N. A. , Jabir Majid S. , Majdi Hasan , Al‐Rubaye Ameer H. , Jumaah Moamel Dheyaa , Usmonova Lola M. , Ghabbour Hazem A. , Almehizia Abdulrahman A. 
Published: October 2024

ABSTRACTMeticulous electrode design is pivotal in advancing greener and more sustainable electro‐organic synthesis practices. In this research, our team designed and synthesized a copper‐doped electrode on multiwalled carbon nanotubes (MWCNTs) and characterized it using Fourier transform infrared spectroscopy (FT‐IR), scanning electron microscopy (SEM), energy‐dispersive X‐ray spectroscopy (EDS), thermogravimetric analysis (TGA), Brunauer–Emmett–Teller (BET) analysis, X‐ray diffraction (XRD) analysis, X‐ray photoelectron spectroscopy (XPS), and cyclic voltammetry (CV) analysis. Subsequently, this electrode was utilized as a catalyst at the electrode surface, serving as a cathode in electro‐oxidation reactions in the presence of phenylacetylene, sodium azide (NaN3), and benzyl halide for the production of 1,2,3‐triazole derivatives under ambient temperature, within a 30‐min reaction time, and at atmospheric pressure, achieving an efficiency level ranging from good to excellent, specifically between 88% and 96%. The synthesized 1,2,3‐triazole derivatives were identified using proton nuclear magnetic resonance (1H NMR) spectroscopy, CHN elemental analysis, and melting point. In this paper, choline chloride/urea deep eutectic solvents (DES) serve multiple roles in the reaction mechanism. They function as solvents and co‐catalysts, generate weak bases, and provide numerous advantages in green chemistry. These advantages include low toxicity, reduced environmental risks, improved atom economy, and non‐volatility, making them safer alternatives to traditional organic solvents.