bluuebunny/crossref_metadata_2025_split huggingface dataset:
Neutrophil Extracellular Traps‐Inspired Bismuth‐Based Polypeptide Nanonets for Synergetic Treatment of Bacterial Infections
Authors: Xiao Jiang , Guo Zengchao , Lv Gang , Yan Zhihong , Liu Tengfei , Wang Yihan , Liu Hao , Martínez Jesús , Yin Lihong , Liu Xiaohui , Jiang Hui , Weizmann Yossi , Wang Xuemei 
Published: July 2024

AbstractExcessive use of antibiotics and the formation of bacterial biofilms can lead to persistent infections caused by drug‐resistant bacteria, rendering ineffective immune responses and even life‐threatening. There is an urgent need to explore synergistic antibacterial therapies across all stages of infection. Drawing inspiration from the antibacterial properties of neutrophil extracellular traps (NETs) and integrating the bacterial biofilm dispersal mechanism involving boronic acid–catechol interaction, the multifunctional bismuth‐based polypeptide nanonets (PLBA‐Bi‐Fe‐TA) are developed. These nanonets are designed to capture bacteria through a coordination complex involving cationic polypeptides (PLBA) with boronic acid‐functionalized side chains, alongside metal ions (bismuth (Bi) and iron (Fe)), and tannic acid (TA). Leveraging the nanoconfinement‐enhanced high‐contact network‐driven multiple efficiency, PLBA‐Bi‐Fe‐TA demonstrates the excellent ability to swiftly capture bacteria and their extracellular polysaccharides. This interaction culminates in the formation of a highly hydrophilic complex, effectively enabling the rapid inhibition and dispersion of antibiotic‐resistant bacterial biofilms, while Fe‐TA shows mild photothermal ability to further assist fluffy mature biofilm. In addition, Bi is beneficial to regulate the polarization of macrophages to pro‐inflammatory phenotype to further kill escaping biofilm bacteria. In summary, this novel approach offers a promising bionic optimization strategy for treating bacterial‐associated infections at all stages through synergetic treatment.
Acetonitrile‐Based Local High‐Concentration Electrolytes for Advanced Lithium Metal Batteries
Authors: Li Menghao , Liu Yue , Yang Xuming , Zhang Qing , Cheng Yifeng , Deng Li , Zhou Qiwei , Cheng Tao , Gu M. Danny 
Published: July 2024

AbstractAcetonitrile (AN) is a compelling electrolyte solvent for high‐voltage and fast‐charging batteries, but its reductive instability makes it incompatible with lithium metal anodes (LMAs). Herein, 1,1,2,2‐tetrafluoroethyl‐2,2,3,3‐tetrafluoropropyl ether (TTE) is used as the diluent to build an AN‐based local high‐concentration electrolyte (LHCE) to realize dense, dendrite‐free, and stable LMAs. Such LHCE exhibits an exceptional electrochemical stability window close to 6 V (vs Li+/Li), excellent wettability, and promising flame retardancy. Compared to a baseline carbonate‐based electrolyte, its electrochemical performance is prominent: the overpotential of lithium nucleation is minimal (only 24 mV), the average half‐cell coulombic efficiency (CE) reaches 99.5% at 0.5 mA cm−2, and its practicality in full cells with LiFePO4 (LFP) and LiNi0.8Co0.1Mn0.1O2 (NCM811) cathodes is also demonstrated. Compounding factors are identified to decipher the superiority of the AN‐based LHCE. From the respect of solvation structures, both the elimination of free AN molecule and the diluent separation would contribute to prevention of anodic AN decomposition. Based on cryogenic electron microscopy (Cryo‐EM) characterization and theoretical simulations results, the produced solid‐electrolyte interphase (SEI) layer is uniform and compact. Thus, this work demonstrates a successful application of AN‐based electrolytes in LMAs—traditionally deemed impractical—via the combined regulation of solvation and SEI structures.
Computational Simulations of Metal–Organic Frameworks to Enhance Adsorption Applications
Authors: Daglar Hilal , Gulbalkan Hasan Can , Aksu Gokhan Onder , Keskin Seda 
Published: July 2024

AbstractMetal–organic frameworks (MOFs), renowned for their exceptional porosity and crystalline structure, stand at the forefront of gas adsorption and separation applications. Shortly after their discovery through experimental synthesis, computational simulations quickly become an important method in broadening the use of MOFs by offering deep insights into their structural, functional, and performance properties. This review specifically addresses the pivotal role of molecular simulations in enlarging the molecular understanding of MOFs and enhancing their applications, particularly for gas adsorption. After reviewing the historical development and implementation of molecular simulation methods in the field of MOFs, high‐throughput computational screening (HTCS) studies used to unlock the potential of MOFs in CO2 capture, CH4 storage, H2 storage, and water harvesting are visited and recent advancements in these adsorption applications are highlighted. The transformative impact of integrating artificial intelligence with HTCS on the prediction of MOFs’ performance and directing the experimental efforts on promising materials is addressed. An outlook on current opportunities and challenges in the field to accelerate the adsorption applications of MOFs is finally provided.
Beyond Structural Stabilization of Highly‐Textured AlN Thin Films: The Role of Chemical Effects
Authors: Pshyk Oleksandr V. , Patidar Jyotish , Alinezhadfar Mohammad , Zhuk Siarhei , Siol Sebastian 
Published: July 2024

AbstractThe crystalline quality and degree of c‐axis orientation of hexagonal AlN thin films correlate directly with their functional properties. Therefore, achieving AlN thin films of high crystalline quality and texture is of extraordinary importance for many applications, but particularly in electronic devices. This systematic study reveals, that the growth of c‐axis‐orientated AlN thin films can be governed by a chemical stabilization effect in addition to the conventionally known structural, strain‐induced, stabilization mechanism. The promotion of in‐plane growth of AlN grains with c‐axis out‐of‐plane orientation is demonstrated on Y, W, or Al seed layers with different thicknesses and crystallinity preliminary exposed to N2at room temperature. It is established that the stabilization mechanism is chemical in nature: the formation of an N‐rich surface layer on the metal seed layers upon exposure to N2pre‐determines the polarity of AlN islands at the initial stages of thin film growth while the low energy barrier for the subsequent coalescence of islands of the same polarity contributes to grain growth. These results suggest that the growth of c‐axis oriented AlN thin films can be optimized and controlled chemically, thus opening more pathways for energy‐efficient and controllable AlN thin film growth processes.
Multiscale Experiments and Predictive Modeling for Failure Mitigation in Additive Manufacturing of Lattices
Authors: Utzeri Mattia , Sasso Marco , Deshpande Vikram S. , Kumar Shanmugam 
Published: July 2024

AbstractAdditive Manufacturing (AM) empowers the creation of high‐performance cellular materials, underscoring the increasing need for programmable and predictable energy absorption capabilities. This study evaluates the impact of a precisely tuned fused filament fabrication (FFF) process on the energy absorption and failure characteristics of 2D‐thermoplastic lattice materials through multiscale experiments and predictive modeling. Macroscale in‐plane compression testing of both thick‐ and thin‐walled lattices, along with their µ‐CT imaging, reveal relative density‐dependent damage mechanisms and failure modes, prompting the development of a robust predictive modeling framework to capture process‐induced performance variation and damage. For lower relative density lattices, an FE model based on the extended Drucker–Prager material model, incorporating Bridgman's correction with crazing failure criteria, accurately captures the crushing response. As lattice density increases, interfacial damage along bead‐bead interfaces becomes predominant, necessitating the enrichment of the model with a microscale cohesive zone model to capture interfacial debonding. The predictive modeling introduces an enhancement factor, offering a straightforward method to assess the impact of the AM process on energy absorption performance, thereby facilitating the inverse design of FFF‐printed lattices. This approach provides a critical evaluation of how FFF processes can be optimized to achieve the highest attainable performance and mitigate failures in architected materials.
A Deep Analysis and Enhancing Photovoltaic Performance Above 31% with New Inorganic RbPbI3‐Based Perovskite Solar Cells via DFT and SCAPS‐1D
Authors: Rahman Md. Ferdous , Harun‐Or‐Rashid Md. , Islam Md. Rasidul , Irfan Ahmad , Chaudhry Aijaz Rasool , Rahman Md. Atikur , Al‐Qaisi Samah 
Published: July 2024

AbstractThe inimitable structural, electronic, and optical properties of inorganic cubic rubidium‐lead‐halide perovskite have obtained significant attention. In this research, novel rubidium‐lead‐iodide (RbPbI3)‐based perovskite solar cells incorporating Tin Sulfide (SnS2) is investigated as an efficient buffer layer, utilizing both Density Functional Theory (DFT) calculations and SCAPS‐1D simulator. Primarily, DFT is used to compute the bandgap, partial density of states (PDOS), and optical properties of the RbPbI3 absorber, which are then applied in the SCAPS‐1D simulator. An optimized Al/FTO/SnS2/RbPbI3/Au device is systematically studied. Additionally, the effect of various influencing factors are investigated such as layer bulk defect density, interface defect density, doping concentration, and thickness. The highest power conversion efficiency (PCE) of 31.11% is achieved for the SnS2 Electron Transport Layer (ETL), with a JSC of 32.47 mA cm−2, VOC of 1.10 V, and FF of 87.14% for the Al/FTO/SnS2/RbPbI3/Au structure. Characteristics of quantum efficiency (QE) are also analyzed. Therefore, SnS2 ETL demonstrates the robust potential for utilization in high‐performance photovoltaic cells based on RbPbI3 perovskite.
Construction and Performance Study of a Dual‐Network Hydrogel Dressing Mimicking Skin Pore Drainage for Photothermal Exudate Removal and On‐Demand Dissolution
Authors: Ma Xiaoxiao , Lin Lizhi , Luo Hang , Zheng Qianqian , Wang Hui , Li Xiaoyan , Wang Zhenfei , Feng Yongqiang , Chen Yu 
Published: July 2024

AbstractIn recent years, negative pressure wound dressings have garnered widespread attentions. However, it is challenging to drain the accumulated fluid under negative pressures for hydrogel dressings. To address this issue, this study prepared a chemical/physical duel‐network PEG‐CMCS/AG/MXene hydrogel composed by chemical disulfide crosslinked network of four‐arm polyethylene glycol/carboxymethyl chitosan (4‐Arm‐PEG‐SH/CMCS), and the physical network of hydrogen bond of agar (AG). Under near‐infrared light (NIR) irradiation, the PEG‐CMCS/AG/MXene hydrogel undergoes photothermal heating due to integrate of MXene, which destructs the hydrogen bond network and allows the removal of exudate through a mechanism mimicking the sweat gland‐like effect of skin pores. The photothermal heating effect also enables the antimicrobial activity to prevent wound infections. The excellent electrical conductivity of PEG‐CMCS/AG/MXene can promote cell proliferation under the external electrical stimulation (ES) in vitro. The animal experiments of full‐thickness skin defect model further demonstrate its ability to accelerate wound healing. The conversion between thioester and thiol achieved with L‐cysteine methyl ester hydrochloride (L‐CME) can provides the on‐demand dissolution of the dressing in situ. This study holds promises to provide a novel solution to the issue of fluid accumulations under hydrogel dressings and offers new approaches to alleviating or avoiding the significant secondary injuries caused by frequent dressing changes.
Potassium Metal Underpotential Deposition in Crystalline Carbon of Potassium‐Ion Batteries
Authors: Ji Tianyi , Liu Xiaoxu , Zhang Tengsheng , Shi Yunli , Sheng Dawei , Yin Hangtian , Shen Ze Xiang , Chao Dongliang 
Published: July 2024

AbstractCarbon materials, owing to their low cost, high conductivity, and good thermal and chemical stability, have been deemed as a promising anode candidate for potassium‐ion batteries. However, anomalous low‐voltage discharge situations in crystalline carbon materials imply uncertainty in the potassium storage mechanism. Herein, an overlooked scenario, i.e., potassium metal underpotential deposition (PMUPD), is disclosed in crystalline carbon materials for the first time. The study unveils the induction of interlayer pores on desolvation and PMUPD by insights from thermodynamics, kinetics, and experimental analyses. By manipulating the cutoff voltage to utilize partial PMUPD, a novel synergistic mechanism of co‐intercalation and PMUPD is revealed. A remarkable initial coulombic efficiency of 92% and a 65% capacity retention at 30C (80 mAh g−1) are realized in crystalline carbon anode. This work provides a new insight into the potassium storage mechanism of carbon anode and contributes to further research and application of the UPD behavior in other alkaline metal ion batteries.
Judicious Fluorination of Perovskite Quantum Wells Enables Over 25% Efficiency in Inverted Solar Cells
Authors: Liang Xiao , Zhou Xianfang , Wang Fei , Chen Hu , Duan Dawei , Zhou Kang , Ge Chuangye , Xiang Jin , Zhu Jiajie , Wang Di , Zhu Quanyao , Lin Haoran , Lin Chun‐Ho , Shi Yumeng , Xing Guozhong , Hu Hanlin , Wu Tom 
Published: July 2024

AbstractThe photovoltaic performance of inverted perovskite solar cells (PSCs) is often hindered by trap‐induced non‐radiative recombination and photochemical degradation occurring at the upper interfaces and the grain boundaries of perovskite films. Herein, ortho‐, meta‐, and para‐isomers of fluorophenylethylammonium iodine (F‐PEAI) organic spacer molecules are evaluated for the construction of perovskite quantum wells (2D or quasi‐2D, PQWs) to encapsulate 3D perovskites. Among the three variants, p‐F‐PEAI leads to the most symmetric charge distribution and the weakest steric hindrance which resulting in reinforced interactions with PbI2 and perovskite, the enhanced out‐of‐plane orientation is confirmed by Grazing incidence wide‐angle X‐ray scattering (GIWAXS) results. Density functional theory and crystal orbital Hamilton population (COHP) calculations further confirm that p‐F‐PEAI engages most strongly with the perovskite structure. Moreover, transmission electron microscopy (TEM) characterization is used to illustrate that p‐F‐PEAI‐assisted 2D PQWs effectively passivate both the grain boundaries and surfaces of perovskites. This configuration facilitates effective surface passivation, improves charge carrier transport, and significantly suppresses non‐radiative recombination. The resultant inverted PSCs achieve an excellent power conversion efficiency (PCE) of 25.03% with a fill factor (FF) of 85.11%. The unencapsulated devices exhibit enhanced long‐term stability under ambient environments and continuous light illumination.
Improved Entanglement‐Based High‐Dimensional Optical Quantum Computation with Linear Optics
Authors: Gao Huan‐Chao , Song Guo‐Zhu , Wei Hai‐Rui 
Published: July 2024

AbstractQuantum gates are the essential block for quantum computers. High‐dimensional quantum gates exhibit remarkable advantages over their 2D counterparts for some quantum information processing tasks. Here, a family of entanglement‐based optical controlled‐SWAP gates on is presented. With the hybrid encoding, the control qubits and target qudits are encoded in photonic polarization and spatial degrees of freedom, respectively. The circuit is constructed using only () linear optics, beating an earlier result of 14 linear optics with . The circuit depth five is much lower than an earlier result of 11 with . Besides, the fidelity of the presented circuit can reach 99.4%, and it is higher than the previous counterpart with . The scheme is constructed in a deterministic way without any borrowed ancillary photons or measurement‐induced nonlinearities. Moreover, the approach allows .
Fabrication of rGO‐Bridged TiO2/g‐C3N4 Z‐Scheme Nanocomposites via Pulsed Laser Ablation for Efficient Photocatalytic CO2 Reduction
Authors: Olatunji Waidi Yusuf , Alkanad Khaled , Abdullah Bajiri Mohammed , Qahtan Talal F. , Al‐Aswad A. H. , Baroud Turki N. , Onaizi Sagheer A , Drmosh Q. A. 
Published: August 2024

AbstractHighly efficient photocatalysts can be fabricated using favorable charge transfer nanocomposite channel structures. This study adopted pulsed laser ablation in liquid (PLAL) to obtain rGO‐bridged TiO2/g‐C3N4 (rGO−TiO2/g‐C3N4) photocatalytic Z‐scheme without the need for noble metals. In addition to evaluating the resulting nanocomposite (comprising rGO nanosheets, TiO2 nanotubes, and g‐C3N4 nanosheets) CO2 reduction effectiveness, its chemical, morphological, structural, and optical characteristics were examined using various analytical techniques. The findings revealed a synergistic interaction between g‐C3N4 and TiO2, suggesting the presence of unique interfacial bonding, as well as enhanced visible light absorption. Notably, the ternary rGO−TiO2/g‐C3N4 Z‐scheme exhibits an excellent photocatalytic performance by photocatalytically converting CO2 into CO and CH4, with 81 % selectivity towards the CO and 1.91 % apparent quantum efficiency at 420 nm. Thus, the findings can pave the way for various Z‐scheme systems in wide photocatalytic applications.
Do strong innovation capability and environmental turbulence influence the nexus between CRM and business performance?
Authors: Qalati Sikandar Ali , Jiang MengMeng , Gyedu Samuel , Manu Emmanuel Kwaku 
Published: August 2024

AbstractThis research has dealt with the gaps in the previous literature and the preponderant problems in the Ghana telecom industry. The main objective is to explore the roles of innovation capability and environmental turbulence on the relationship between customer relationship management and business performance in the Ghana telecommunication industry. Hierarchical linear regression and structural equation models through STATA and AMOS statistical software were employed to analyze the obtained data from a structured questionnaire. These models were used based on the type of analyses employed in our study and since they are robust in determining and validating the proposed causal relationships among variables. To summarize the findings, (1) the study found that customer relationship management constructs have a positive impact on innovation capability and business performance. (2) We discovered that innovation capability constructs have a positive effect on business performance. (3) Innovation capability mediates the relationship between customer relationship management and business performance. (4) Environmental turbulence moderates the relationship between customer relationship management and business performance. These findings contribute immensely to managerial and practical implications by entreating managers to intensify their commitment to CRM and innovation activities such as sharing indispensable information, involving customers, solving problems jointly, building long‐term relationships, and using modern technologies in building powerful partnerships with customers to meet their needs in order to accelerate performance.
Let leaders permit nature! Role of employee engagement, environmental values, and sustainable behavioral intentions
Authors: Ahsan Muhammad Junaid , Ishaq Muhammad Ishtiaq , Raza Ali , Talpur Qurat‐ul‐ain 
Published: August 2024

AbstractThe current study examines the relationship between authentic leadership and sustainable behavior intention among employees. We also tested employee engagement as a mediator and environmental value as a boundary condition in Danish manufacturing firms. The data from 346 respondents were obtained using time‐lagged and multi‐respondent techniques, and the data were analyzed using structural equation modeling. The results revealed that authentic leadership directly impacts sustainable behavior intentions whereas cognitive and behavioral employee engagement mediates the relationship between authentic leadership and sustainable behavioral intentions. Additionally, environmental values strengthen the positive relationship between employee engagement's cognitive and behavioral dimensions and sustainable behavioral intentions. This study advances the social exchange theory by empirically testing the beneficial effects of authentic leadership and employee engagement on the intention to engage in sustainable behavior. We also propose that practitioners emphasize authentic leadership as it can foster employees' environmental values and sustainable behavior intentions that are helpful for the organization's and society's sustainability.
Anxiolytic and Anticonvulsant Effects of Fisetin Isolated from Bauhinia pentandra on Adult Zebrafish (Danio rerio)
Authors: da Silva Horlando Carlota , das Chagas Lima Pinto Francisco , Silva Marinho Emmanuel , Alencar de Menezes Jane Eire Silva , Kueirislene Amâncio Ferreira Maria , da Silva Antonio Wlisses , Machado Marinho Emanuelle , Marinho Márcia Machado , Pessoa Bezerra de Menezes Ramon Róseo Paula , Washington Cavalcante John , Silva dos Santos Hélcio , Pessoa Otília Deusdênia Loiola , Santiago Gilvandete Maria Pinheiro 
Published: August 2024

AbstractAnxiety and epilepsy are common worldwide and represent a primary global health concern. Fisetin, a flavonoid isolated from Bauhinia pentandra, has a wide range of biological activities may be a promising alternative to combat diseases related to the central nervous system (CNS). The present study aimed to investigate the anxiolytic and anticonvulsant effects of fisetin on adult zebrafish. Furthermore, molecular docking simulations were performed to improve the results. Fisetin did not present toxicity and caused anxiolytic behavior and delayed seizures in animals. This effect may occur through serotonin neurotransmission at 5‐HT3A and/or 5‐HT3B receptors. Molecular docking simulations showed that fisetin interacts with the orthosteric site of the 5‐HT3A receptor with strong H‐bond interactions with the Trp156 residue, with a strong contribution from the catechol ring, a behavior similar to that of the antagonist co‐crystallized inhibitor granisetron (CWB). Fisetin may be a promising alternative to combat diseases related to the central nervous system.