bluuebunny/crossref_metadata_2025_split huggingface dataset:
Remarkable Catalytic Performance of MoO(O2)2 Loaded in NH2‐UiO‐66 for Oxidative Desulfurization of Fuel Oil
Authors: Chen Mingyan , Wang Wentao , Feng Xinkai , Zhang Dehua , Zhang Yao , Liu Yucheng 
Published: March 2024

AbstractA highly efficient oxidative desulfurization composite catalyst NH2‐Uio‐66‐Mo has been prepared and applied in the catalytic oxidative desulfurization. It was elucidated that Mo6+ could increase the oxygen vacancies and active sites on the catalyst and increase the pore size of UiO‐66. Meanwhile, the removal rate of dibenzothiophene (DBT) reached 99.2 % after 60 min under optimal conditions and remained above 90 % after 5 cycles, showing the composite catalyst's remarkable catalytic performance and satisfactory reusability NH2‐UiO‐66‐Mo. In addition, kinetic studies revealed that the desulfurization process can present a pseudo‐first‐order kinetic process. The apparent activation energy was 10.6 kJ/mol. Finally, in combination with oxides, possible oxidation pathways were identified.
Anion–Induced Amyloid Fibrillation of Human Insulin In vitro
Authors: Begum Shahnaz , Paul Swarnali , Parvej Hasan , Mondal Falguni , Dalui Ramkrishna , Pradhan Anirban , Sepay Nayim , Chandra Halder Umesh 
Published: March 2024

AbstractIn the present study, we have focused on the effect of three biologically important salt anions on insulin aggregation. The result of the present study reveals that salts differing in their anions (NaI, NaOAc, and NaNO3) induce the self–assembly formation of insulin even at low physiological (in the micromolar range) salt concentration with efficacy that follows the order I−>CH3COO−>NO3−. Here, the anion–driven aggregation of insulin does not follow either the Hofmeister series or electroselectivity series at very low salt concentrations; instead, the binding of anions at low pH to the positively charged residues of insulin is determined by a mechanism where the salt anions promote the fibrillation of insulin and modify the morphology of the monomeric precursor molecule. Both the nucleation and fibril elongation are controlled by the electrostatic forces and hydrophobic interactions. Aggregation mechanism and aggregate morphology were investigated employing a combination of Thioflavin T (ThT) and ANS fluorescence, circular dichroism (CD), dynamic light scattering (DLS), and transmission electron microscopy (TEM). Overall, the present data will enhance the idea to rationalize the anion effects on the aggregation of amyloid‐prone protein and to understand the influence of charged biomolecules in cellular compartments.
Synthesis and Electrochemical Properties of One‐Dimensional γ‐MnOOH Nanorods
Authors: Zhao Yanhong , Li Congshuang , Zhang Wei 
Published: March 2024

AbstractMnOOH has received much attention from researchers as a supercapacitor electrode material. In this article, one‐dimensional γ‐MnOOH nanorods were prepared by the hydrothermal method using the redox reaction between MnO4− and Mn2+, and the effects of temperatures on the crystalline phases and electrochemical properties of the samples were investigated. The materials were characterized using XRD, FT‐IR, SEM, TEM, Raman and XPS; electrochemical properties were tested using CV, GCD and EIS. The results show that the reaction temperature plays an important role in the generation of γ‐MnOOH. The samples were pure phases of γ‐MnOOH (M‐140) at the reaction temperature of 140 °C, showing interlaced nanorod morphology, and when the reaction temperature was increased to 180 °C, a mixed phase of MnOOH and Mn3O4 appeared. In contrast, the electrochemical performance of γ‐MnOOH nanorods (M‐140) was superior to the other samples, reaching a specific capacitance of 221 F/g at a current density of 0.2 A/g. The capacitance retention was 93.8 % after charging and discharging the M‐140 2000 times at a current density of 6 A/g. Supercapacitors assembled with γ‐MnOOHand activated carbon (AC) have excellent energy storage performance, and a high energy density of 40.6 Wh/kg is obtained at a power density of 196.7 W/kg.
Rare Earth Dopants Enhance Thermocatalytic Activity of Manganese Oxides on Corrugated Silica Carriers for Formaldehyde Degradation
Authors: Qiang Wen‐Jun , Yu Feng‐Shan , Shu Qiu‐Hao , Zhou Qian‐Cheng , Lü Jun‐Ying , Guo Ya‐Ping 
Published: March 2024

AbstractThe development of high efficiency thermocatalysts remains a great challenge for gaseous formaldehyde elimination. Herein, rare earth‐doped manganese dioxide (RE‐MnO2) particles with sizes of approximately 200 nm were deposited on corrugated silica carrier (CSC) by using cerium or samarium as dopants. One part of rare earth ions in RE‐MnO2/CSC were substituted for the manganese ions in α‐MnO2, and the other part existed in the form of cerium oxide or samarium oxide. RE‐MnO2/CSC exhibited better thermocatalytic activity than MnO2/CSC. The formaldehyde removal efficiency over RE‐MnO2/CSC reached nearly 100 % even after cycle tests of 5 times. Both the cerium and samarium doping accelerated HCHO oxidation via increasing lattice oxygen and Mn4+ amounts, improving low‐temperature redox properties, and reducing apparent activation energy. Notably, the RE oxides in the catalysts played different roles in HCHO degradation. Samarium oxide did not possess thermocatalytic activity, while cerium oxide in RE‐MnO2/CSC participated directly in the formaldehyde degradation via the CeO2↔Ce2O3 redox reaction and facilitated the oxidation of Mn2O3 into MnO2. This work revealed the effect mechanisms of RE doping and RE oxide on the enhanced thermocatalytic activity, and provided a novel viewpoint to develop RE‐doped catalysts for formaldehyde removal.
Systematic Study of the Effect of Cycle Number and Crystal Structure on Si Anodes
Authors: Zhi Youran , Zhang Yinghao , Zhang Feng , Wang Deyong 
Published: March 2024

AbstractThis paper shows that the number of cycles and the crystal structure play an important role in the capacity and cycling ability of lithium‐ion batteries. However, the detailed dynamics and continuity of the capacity decay mechanism caused by the number of cycles and crystal structure need to be further understood at the nanoscale. Molecular dynamics simulation was used to examine the microstructure development and deformation behavior of the Si anode in an electric field. The results show that the increase of the number of cycles leads to a large expansion of the volume of the Si electrode, which further leads to the loss of capacity and the decrease of cycle capacity, as well as the decrease of structural stability. The formation of Si crystal structure from diamond structure to amorphous depends on the depth of lithiation and desulfurization. Due to the presence of a large number of nanoscale voids, the Si anode has undergone volume expansion. The transformation associated with nanogap nucleation caused by the involuntary diffusion process is driven by more cycles, resulting in irreversible capacity loss of lithium‐ion batteries. The analysis model shows that the stress caused by diffusion is not only related to the position of the Si anode, but also to the cycle time.
Magnetic Field Induction ZnFe2O4@Carbon for Construction of a PVDF‐HFP‐Based 3D Dielectric Network
Authors: Zhang Yumeng , Wang Xiaoming , Weng Ling , Zhang Xiaorui , Guan Lizhu , Li Xue , Pan Hao 
Published: March 2024

AbstractFunctional fillers in the polymerization system cannot be arranged in an orderly manner when exposed to natural conditions. The application of magnetic fields in the material preparation process has been shown to greatly enhance the distribution of functional fillers, leading to the organized alignment of functional fillers and the production of polymer matrix composites with remarkable characteristics. In this experiment, rod‐like ZnFe2O4 was synthesized by reverse microemulsion method, and amorphous carbon was coated on the surface of ZnFe2O4 by freeze‐drying method to obtain ZnFe2O4@Carbon core‐shell particles. The composite films were prepared by dispersing ZnFe2O4 with different volume contents into P(VDF‐HFP) matrix. The external parallel magnetic field was used to manipulate the ZnFe2O4@C/P(VDF‐HFP) composite film during the hot‐pressing process, resulting in an oriented ZnFe2O4@C/P(VDF‐HFP) composite film. The experiment revealed that when ZnFe2O4@C is aligned with the film orientation, the dielectric constant of the composite film is 50(50 Hz), which is 130 % higher than that of the unoriented composite film and 290 % higher than that of pure P(VDF‐HFP). When the filling amount is 40 Vol.%, the energy storage density of ZnFe2O4@C/P(VDF‐HFP) composite film is 1.18 times higher than that of unoriented composite material and 1.32 times higher than that of pure P(VDF‐HFP).
Genetic Modulation of Biosynthetic Gas Vesicles for Ultrasound Imaging
Authors: Fu Meijun , Wang Yuanyuan , Wang Jieqiong , Hao Yongsheng , Zeng Fengyi , Zhang Zhaomeng , Du Jianxiong , Long Huan , Yan Fei 
Published: March 2024

AbstractGas vesicles (GVs) from microorganisms are genetically air‐filled protein nanostructures, and serve as a new class of nanoscale contrast agents for ultrasound imaging. Recently, the genetically encoded GV gene clusters have been heterologously expressed in Escherichia coli, allowing these genetically engineered bacteria to be visualized in vivo in a real‐time manner by ultrasound. However, most of the GV genes remained functionally uncharacterized, which makes it difficult to regulate and modify GVs for broad medical applications. Here, the impact of GV proteins on GV formation is systematically investigated. The results first uncovered that the deletions of GvpR or GvpU resulted in the formation of a larger proportion of small, biconical GVs compared to the full‐length construct, and the deletion of GvpT resulted in a larger portion of large GVs. Meanwhile, the combination of gene deletions has resulted in several genotypes of ultrasmall GVs that span from 50 to 20 nm. Furthermore, the results showed that E. coli carrying the ΔGvpCRTU mutant can produce strong ultrasound contrast signals in mouse liver. In conclusion, the study provides new insights into the roles of GV proteins in GV formation and produce ultrasmall GVs with a wide range of in vivo research.
Reversible Stacking and Delamination‐Regulation of MXene via Controlled Freezing
Authors: Zhang Yanlin , Hu Jinhao , Bai Guoying 
Published: March 2024

AbstractMXene's configuration, whether it is aggregated or dispersed in a monolayer, determines the specific application areas and even greatly influences the intrinsic properties of MXene. However, how to desirably control MXene's configuration is challenging. Here, a simple, additive‐free, chemical reaction‐free, and scalable strategy to optionally and reversibly regulate MXene's ordered stacking and delamination of MXene aggregates (AM) is reported. Just by controlled freezing of MXene aqueous dispersions, the aggregation percentage, delamination percentage, and interlayer spacing of AM can be finely tuned. Experimental results reveal that the freezing‐induced aggregation and delamination effects can be explained by the squeezing action of growing ice grains on the MXene excluded/concentrated between ice grains and the expanding action caused by the ice formation between AM lamellae, respectively. The dominance between them depends on the freezing parameter‐influenced ice nucleation sites, numbers, and ice grain sizes. This work not only contributes to the preparation, storage, and practical applications of MXene, but also opens a new and green avenue for controlling materials’ assembly structures.
Rapid Construction of Double Crystalline Prussian Blue Analogue Hetero‐Superstructure
Authors: Shi Jinghui , Yang Zi‐Xuan , Wan Hui , Li Bo , Nie Jianhang , Huang Tao , Li Lei , Huang Gui‐Fang , Leng Can , Si Yubing , Huang Wei‐Qing 
Published: March 2024

AbstractThe controllable construction of complex metal–organic coordination polymers (CPs) merits untold scientific and technological potential, yet remains a grand challenge of one‐step construction and modulating simultaneously valence states of metals and topological morphology. Here, a thiocyanuric acid (TCA)‐triggered strategy is presented to one‐step rapid synthesis a double‐crystalline Prussian blue analogue hetero‐superstructure (PBA‐hs) that comprises a Co3[Fe(CN)6]2 cube overcoated with a KCo[Fe(CN)6] shell, followed by eight self‐assembled small cubes on vertices. Unlike common directing surfactants, TCA not only acts as a trigger for the fast growth of KCo[Fe(CN)6] on the Co3[Fe(CN)6]2 phase resulting in a PBA‐on‐PBA hetero‐superstructure, but also serves as a flange‐like bridge between them. By combining experiments with simulations, a deprotonation‐induced electron transfer (DIET) mechanism is proposed for formation of second phase in PBA‐hs, differing from thermally and photo‐induced electron transfer processes. To prove utility, the calcined PBA‐hs exhibits enhanced oxygen evolution reaction performance. This work provides a new method to design of novel CPs for enriching chemistry and material science. This work offers a practical approach to design novel CPs for enriching chemistry and material science.
Study via the finite element method of the behavior of deck joints in a bridge composed of precast concrete segments
Authors: Possamai Spessatto Rafaella , Campos Filho Américo , Manica Lazzari Bruna , Manica Lazzari Paula , Rodrigues Pacheco Alexandre 
Published: March 2024

AbstractThere is a demand for research to better understand the structural performance of segmental bridge joints. In this context, the main objective of this work is to present a 3D numerical modeling using the Finite Element Method (FEM) to physically simulate the behavior of concrete joints in a segmental concrete bridge. The analysis was conducted using the design of a real bridge, and the structure studied was the main span of the New Guaíba Bridge, located in Porto Alegre, RS, Brazil. The modeling was implemented using ANSYS software, version 21.2. The simulation considers a complete model of the span to provide a more realistic determination of the joint openings and the stress distributions in the elements. It is crucial to emphasize that the results obtained from the model do not reproduce the observed behavior of the studied bridge. The analysis considered only one span with simplified boundary conditions and higher loads than those typically adopted in usual design procedures.
Predicting capacity models and seismic fragility estimation for precast parking structures based on machine learning techniques
Authors: Li Hao , Zhou Wei 
Published: March 2024

AbstractThe development of fragility curves is an important step in seismic risk assessment within the scope of performance‐based earthquake engineering. The goal of this work is to use machine learning methods (regression‐based tools) to forecast the large‐span precast parking structural responses and fragility curves. This study proposes five predicting models based on machine learning to evaluate the seismic performance of the large‐span precast parking structures, including: neural networks, genetic algorithm‐based neural networks, support vector machine, decision tree and random forest. A database that includes 453 numerical synthetic results was used to train and test the machine learning models. The seismic performance of large‐span precast parking structures were predicted using the constructed machine learning models. Finally, the sensitivity analysis of input parameters was conducted. From this paper we can conclude that: (1) the genetic optimization‐based neural networks' predicting model has the most accurate predictive ability for seismic fragility estimation and (2) the structural responses and the fragility curves of parking structures are related to the differences of the stiffness of the connectors and the number of floors, of which the stiffness of the connectors should be given special attention.
Creating transformational change in flood resilience strategies
Authors: McClymont Kerri , Beevers Lindsay , Bedinger Melissa , Walker Guy 
Published: March 2024

AbstractFlood hazards are increasing as a result of climate change and growing urbanization. Research has shown that people who are socially vulnerable are more exposed to flood risk. Flood disadvantage that exists today is projected to continue in the future: it is stubborn. We present a bold new research agenda for exploring how different physical, social, institutional, and natural resources interact in urban areas to influence social opportunities over time. These interactions must be modeled to understand how the flood‐affected area is degraded, in terms of the functions it provides, as a result of varying levels and frequency of flood exposure. Nesting flood exposure within a wider functional view of urban environments enables a place‐based, systems approach to resilience. It reveals the underlying mechanisms—and potential remediations—for spatial inequalities. In doing so resilience strategies can be designed to transform the current trajectory of stubborn disadvantage to flooding.This article is categorized under:
Engineering Water > Planning Water
From Design to Reality: An Overview of the MontiThings Ecosystem for Model-Driven IoT Applications
Authors: Kirchhof Jörg Christian 
Published: March 2024

AbstractThe Internet of Things (IoT) networks everyday objects that can perceive and influence their environment using sensors and actuators. Since IoT systems are inherently distributed systems, often built on fault-prone hardware and exposed to harsh environmental conditions such as vibration or humidity, developing such systems is challenging. In recent years, some DSLs for IoT system development have been introduced, yet they only slightly improve IoT system development. This chapter provides an overview of MontiThings, an ecosystem for model-driven development of IoT systems that covers the life cycle of IoT systems from design in the form of Component and connector (C&C) models, through (dynamic) deployment, to failure analysis. MontiThings is designed to handle different classes of errors and failures. By being able to make counter-suggestions to device owners, the requirement-based deployment algorithm enables device owners to customize their IoT systems to their needs. MontiThings also offers an app store concept to decouple hardware development from software development in order to prospectively reduce problems such as e-waste and security issues that result from too close a coupling. Overall, MontiThings demonstrates an end-to-end model-driven approach to IoT system development.
Usefulness of Automatic Static Analysis Tools: Evidence from Four Case Studies
Authors: Trautsch Alexander 
Published: March 2024

AbstractAutomated Static Analysis Tools (ASATs) are an additional tool available to developers in their pursuit of high-quality software. ASATs match source code against configured rules and produce a warning when a rule is violated. However, the evaluation of the warnings by developers as well as the resolution of warnings requires time. This raises the question of whether we are able to evaluate the usefulness of ASATs empirically. Within this chapter, we present the results of four case studies, which investigate different aspects regarding the impact of ASATs on software quality and the perception of the developers thereof. We present results regarding the evolution of ASAT warnings from a longitudinal study of 54 open-source projects. To evaluate the impact on defects, we present results from two studies. The first study is evaluating predictive models in the context of defect prediction with ASAT-based features. The second study provides a statistical investigation of the differences between changes that induce a defect and all other changes. In order to observe the developer’s perspective regarding ASAT warnings and other software quality metrics, we include the results of a study of developer intent, which compares changes where the developers intend to improve the quality of the code base with all other changes to see which quality metrics and ASAT warnings change in which way. We employ methods of empirical software engineering research to investigate these relationships and provide evidence-based information for researchers and practitioners alike. Within our studies, we can show empirically that we are able to measure an impact on quality. However, the effect is surprisingly small. Moreover, our investigation of developer intents yield information about the magnitude of bug fixing as a driver for complexity in software. Our results can help practitioners estimate the possible impact of introducing an ASAT on defects, as well as provide guidelines for managing the complexity of software.
Multi-scale cross-attention transformer encoder for event classification
Authors: Hammad A. , Moretti S. , Nojiri M. 
Published: March 2024

Abstract
We deploy an advanced Machine Learning (ML) environment, leveraging a multi-scale cross-attention encoder for event classification, towards the identification of the gg → H → hh → $$ b\overline{b}b\overline{b} $$
b

b
¯

b

b
¯

process at the High Luminosity Large Hadron Collider (HL-LHC), where h is the discovered Standard Model (SM)-like Higgs boson and H a heavier version of it (with mH> 2mh). In the ensuing boosted Higgs regime, the final state consists of two fat jets. Our multi-modal network can extract information from the jet substructure and the kinematics of the final state particles through self-attention transformer layers. The diverse learned information is subsequently integrated to improve classification performance using an additional transformer encoder with cross-attention heads. We showcase that our approach surpasses current alternative methods used to establish sensitivity to this process in performance, whether solely based on kinematic analysis or combining this with mainstream ML approaches. Then, we employ various interpretive methods to evaluate the network results, including attention map analysis and visual representation of Gradient-weighted Class Activation Mapping (Grad-CAM). Finally, we note that the proposed network is generic and can be applied to analyse any process carrying information at different scales. Our code is publicly available for generic use (https://github.com/AHamamd150/Multi-Scale-Transformer-Encoder).