bluuebunny/crossref_metadata_2025_split huggingface dataset:
Gas‐Sensing Properties of NO on Ce‐Doped Zinc Oxide: A DFT Study
Authors: Sharma Neha , Dwivedi Umesh K. , Nakate Umesh T. , Singh Mukhtiyar , Choudhury Sandip Paul 
Published: August 2024

AbstractOne of the most prevalent pollutants that pollute the environment is nitrogen oxide (NOx). NO and NO2 gases, which are hazardous to both human health and the environment, are included in NOx. The rare earth element Ce doped metal oxide semiconductor (MOS) ZnO is employed to reveal their NO gas sensing properties. Based on density functional theory (DFT) calculations, the optimized surface of ZnO (0001), Ce‐doped ZnO (0001), adsorbate structure of NO, and adsorbate NO on the modified ZnO (0001) surface are obtained. The gas sensing properties are examined through adsorption energy, Bader charge analysis, charge density difference (CDD), charge transfer, band structure, total density of state (DOS), and partial density of states (PDOS). For the Ce‐doped ZnO (0001) surface the NO adsorption energy is more negative than the bare ZnO. From the observation of Bader charge analysis, the charge transfer value increases from the substrate to adsorbate after doping with Ce, which indicates that the Ce‐doped ZnO (0001) surface is more favorable for NO gas sensing. Favorable electronic properties and suitable adsorption energy of Ce‐doped ZnO can be a potential gas sensor for NO molecule. The obtained DFT results are also compared with the existing experimental results.
Mesoscale formation and energy release characteristics of PTFE/Al reactive jet
Authors: Zheng Yuanfeng , Zhang Hongyu , Li Peiliang , Zheng Zhijian , Guo Huanguo 
Published: August 2024

AbstractIn order to investigate the mechanical formation, the mechanical‐thermo coupling mesoscale mechanism and the corresponding energy release characteristics of PTFE/Al composite material reactive jet, a mesoscale discretization model of PTFE/Al reactive liner with a mass ratio of 73.5 %/26.5 % is developed on the basis of the random delivery principle. The mesoscale numerical simulation is used to perform PTFE/Al reactive jet formation, obtaining the relative distribution characteristics of material, pressure, and temperature. The overpressure experiments for the energy release of reactive jets are conducted. The results show that there is an increasing tendency in the amount of Al particles from the jet's tip to its tail due to the velocity variance between PTFE and Al. The high temperature zones are found to be concentrated on the tip and axis of the jet, with particle deformation, collision and friction in the reactive jet accounting for the temperature rise. Moreover, the Al particle size has a significantly influence on the particle distribution and the mechanical‐thermo coupling behavior in the reactive jet, and the decrease of particle size is beneficial to the chemical reaction among the components of the reactive jet. To be more specifically, under the conditions of Al particle size of 400 μm, 600 μm and 800 μm, the overpressure peaks of reactive jet in 13 L chamber are 3.32 MPa, 2.86 MPa and 2.61 MPa, respectively. The variation of the overpressure with Al particle size obtained by experiment is consistent with the analysis of the mechanical‐thermo coupling characteristics of mesoscale numerical simulation.
Atomic Layer Deposition of Hafnium Oxide Passivating Layers on Silicon: Impact of Precursor Selection
Authors: Pain Sophie L. , Yadav Anup , Walker David , Grant Nicholas E. , Murphy John D. 
Published: August 2024

Hafnium oxide (HfOx) films grown by atomic layer deposition (ALD) have recently been demonstrated to provide high‐quality silicon surface passivation. Reports have suggested that changing the composition of the hafnium‐containing precursor can enable films of both charge polarities to be produced. Herein, the passivation quality of hafnium oxide grown with metal amide precursors and a tetrakis(ethylmethylamido)hafnium (TEMAHf) precursor is examined, considering film charge polarity, chemical‐ and field‐based passivation effects, and film crystallinity. Throughout, the properties of TEMAHf‐HfOx are benchmarked against that of hafnium oxide grown with a tetrakis(dimethylamido)hafnium precursor. It is found that precursor choice has no influence on the fixed negative charge polarity (of order −1012 q cm−2) of HfOx films grown via plasma‐enhanced ALD. TEMAHf‐HfOx passivation is influenced by post‐deposition annealing temperature and can passivate with a surface recombination velocity ≤3 cm s−1 on n‐type silicon, compared to surface recombination velocities ≤11 cm s−1 for TDMAHf‐HfOx of a similar thickness.
Preparation and Characterization of Improved Barrier Beverage Packaging Bottle and Its Inhibitory Effect on Dissolved Oxygen Content of Chestnut Rose Beverage
Authors: Wang Zichun , Zeng Xiankun , Yin Hao , Li Ziqi , Dai Jie , Ren Difeng 
Published: August 2024

ABSTRACTFood packaging plays a crucial role in product storage, transportation and distribution. This study is dedicated to the development of high barrier blends for food packaging through the melt blending of polyethylene terephthalate (PET) and polyethylene 2,6‐naphthalate (PEN). The blends underwent comprehensive characterization involving chromaticity analysis, DSC, FTIR and XRD. Results indicated that the blend comprising 30 wt% PEN and 70 wt% PET exhibited superior structural properties, making it suitable for the production of beverage packing bottles. To evaluate the bottle properties, SEM, AFM, TG analysis and permeability testing were conducted. Comparatively, the barriers to O2, CO2, and water vapour of PEN/PET bottles were 3.52‐fold, 7.36‐fold and 2.25‐fold higher than PET bottles, and the mechanical properties and UV blocking properties have also improved. The PEN/PET bottles exhibited good thermal stability, with thermal shrinkage temperature and initial decomposition temperature at 87.5°C and 254°C, significantly higher than PET bottles (p < 0.05). Interestingly, the thermal shrinkage rate of PEN/PET bottles was measured at 87.5%, notably lower than that of PET bottles at 90.9%, indicating that PEN/PET bottles had good thermal stability. Additionally, beverage stored in PEN/PET bottles demonstrated lower dissolved oxygen content, suggesting promising applications for PEN/PET bottles in beverage packaging.
Impacts of free tropospheric turbulence parametrisation on a sheared tropical cyclone
Authors: Johnson Amethyst A. , Schwendike Juliane , Ross Andrew N. , Lock Adrian , Edwards John M. , Kepert Jeffrey D. 
Published: August 2024

AbstractThe turbulent transport of momentum, heat, and moisture can impact tropical cyclone intensity. However, representing subgrid‐scale turbulence accurately in numerical weather prediction models is challenging due to a lack of observational data. To address this issue, a case study of Hurricane Maria was conducted to analyse the influence of different free tropospheric turbulence parametrisations on sheared tropical cyclones. The study used the current Met Office Unified Model (MetUM) parametrisation, as well as a parametrisation scheme with significantly reduced free tropospheric mixing length. Convection‐permitting ensemble simulations were performed for both mixing schemes at two initialisation times (four 18‐member ensembles in total), revealing an improvement in the intensity forecasts of Hurricane Maria when the mixing length was decreased in the free troposphere. By implementing this change, the less diffuse simulations presented a drier mid‐level. The resolved downward transport of drier air from the mid‐levels into the inflow layer (so‐called “downdraft ventilation”) was thus more effective in reducing the storm's intensity. In contrast to earlier studies, where decreasing the diffusivity in the boundary layer intensified the storm, we show that decreasing the free tropospheric diffusivity can weaken the storm by enhancing shear‐related weakening processes. While this study was performed using the MetUM, the findings highlight the general importance of considering turbulence parametrisation, and show that changes in diffusivity can have different impacts on storm intensity depending on the environment and where the changes are applied.
Dimensionality of Writing Skills in English and Spanish, and the Relations of Language and Cognitive Skills to Written Composition for English‐Spanish Emergent Bilingual Children in Grade 1
Authors: Kim Young‐Suk Grace 
Published: August 2024

AbstractWe examined the relations of language skills (vocabulary, listening comprehension, and oral retell), transcription skills (spelling and handwriting fluency), and domain‐general cognitions/executive functions (working memory and attentional control) to writing quality for English‐Spanish emergent bilingual children in Grade 1. Data were from a convenience sample of 211 children (57% girls; 82% Hispanic, 9.5% White, 4% Asian American children) who were assessed on written composition, vocabulary, listening comprehension, oral retell, and spelling in English and Spanish; handwriting fluency and working memory in English; and attentional control rated by their teachers. Confirmatory factor analysis results showed that writing quality in English and Spanish in narrative and opinion genres was best described as a unidimensional skill. Structural equation model results showed that English oral language, English spelling, and Spanish spelling skills, but not Spanish oral language skill, were independently related to writing quality, after controlling for gender, English learner status, Hispanic status, and enrollment in dual immersion program. The relations of working memory and attentional control to writing quality were indirect, mediated by oral language and transcription skills. These results are discussed in light of theory and in the context of emergent bilingual children in primary grades.
Effects of organic amendments on crop production and soil fauna community in contrasting Zambian soils
Authors: Hamamoto Toru , Nhamo Nhamo , Chikoye David , Mukumbuta Ikabongo , Uchida Yoshitaka 
Published: August 2024

AbstractThe use of organic materials has been widely promoted to improve soil health. Surface‐active soil macrofauna serves as a key biological indicator of soil health as it supports agricultural productivity. However, the effects of organic amendments on soil fauna and their relationships with crop production are still unknown in C‐limited soil conditions. A field experiment was conducted under different fertilizer management in two soils with contrasting C content (14.2/5.1 g C kg−1 at the Lusaka/Kabwe site) in Zambia. Our results show a contrast in soil fauna abundance in two soils. During the experimental period, we collected a total of 926 individual soil fauna in all plots at the Lusaka site, while only 145 individual soil fauna were collected at the Kabwe site. Soil fauna was predominantly composed of Araneae, Coleoptera, Dermaptera, Diplopoda, and Orthoptera. Organic amendments significantly increased soil fauna abundance only at the Lusaka site, and the abundance of Coleoptera and Diplopoda was highly related to the crop yield. At the Kabwe site, the effect of organic amendment on soil fauna abundance was minimal, although significantly higher crop yields were observed in soils with organic amendment. These contrasting results may be due to soil nutrient and water status between different sites. Our findings suggest that site‐specific strategies are required to protect and enhance soil fauna communities in C‐depleted soils.
Facile Synthesis of Reduced Graphene Oxide/Mn3O4 Nanocomposite as a Platform for the Voltammetric Determination of Tramadol
Authors: Sajjadi Parisima , Beitollahi Hadi , Garkani Nejad Fariba 
Published: August 2024

AbstractWe describe a simple hydrothermal method for preparing a nanocomposite of reduced graphene oxide/Mn3O4 (rGO/Mn3O4), and its use in electrochemically detecting tramadol (TRA). The sensor was constructed by using a glassy carbon electrode modified with a rGO/Mn3O4 nanocomposite (rGO/Mn3O4/GCE) as an electro‐catalyst. The electrochemical properties of TRA at rGO/Mn3O4/GCE were studied using cyclic voltammetry (CV), chronoamperometry, and differential pulse voltammetry (DPV) in a phosphate buffer solution (PBS) with a pH of 8.0. The oxidation peak currents of TRA on rGO/Mn3O4/GCE increased compared to the bare GCE. This enhancement was attributed to the high surface area and excellent electron transfer performance of the rGO/Mn3O4 nanocomposite on the surface of the electrode. Under optimal conditions, the oxidation peak currents exhibited a linear increase with the concentration of TRA within the range of 0.5 to 700.0 μM, and a detection limit (LOD) of 0.16 μM was achieved. This study has shown that the rGO/Mn3O4/GCE can effectively be used to analyze TRA in real specimens.
Development of L‐Aspartic Acid Decorated Core/Shell Silica Particles for Adsorption of Hyaluronic Acid
Authors: Aglamaz Deniz , Ozgun Ozturk Bengi , Uzun Lokman 
Published: August 2024

AbstractIn this study, core/shell‐structured mesoporous hybrid silica gel particles were synthesized for the selective adsorption of hyaluronic acid. A non‐ionic amphiphilic polymer core consisting of poly(methyl methacrylate) and poly(ethylene glycol) blocks were coated with SiO2 using the Stöber method in the presence of non‐ionic and cationic surfactants to obtain mesoporous core‐shell silica particles. The surface of silica particles was functionalized through modification of L‐aspartic acid to improve their affinity against the targeted analyte, hyaluronic acid. Physico‐chemical methods including Fourier transform infrared spectroscopy, thermal gravimetric analysis, zeta‐size measurements, and transmission‐ and scanning‐electron microscopies were utilized to evaluate the properties of core‐silica particles. The surface functionalized core/shell particles have an average size of 254.7 (±33.1) nm as confirmed by TEM analysis. The hyaluronic acid adsorption performance of the modified core‐shell silica particles was optimized through varying pH, concentration, temperature, and contact time parameters. Thermodynamic parameters were estimated by applying adsorption isotherm and kinetics models to assess the favorability of the adsorption process. The models revealed that the hyaluronic acid adsorption processes follow monolayer adsorption (Langmuir model) and chemisorption (pseudo‐second‐order kinetics) processes.
Designing Robust CdS Nanostructures for Superior Photostability and Enhanced Photocatalytic Degradation of Organic Pollutants
Authors: Ul Abideen Zain , Bibi Safia , Liu Hongtao 
Published: August 2024

AbstractTill date it is a great challenge to synthesize CdS photocatalyst with a high stability. In this study, a stable CdS photocatalyst was successfully synthesized by a simple, cost‐effective hydrothermal route via cadmium acetate and thiourea as Cd and S precursors, respectively. The effect of different processing times (8 h and 24 h) and molar ratios on the photocatalytic activity and stability were mainly investigated. The samples were characterized in detail by XRD, FT‐IR, XPS, UV‐vis DRS, Photolummiscence spectroscopy and Surface photovoltage. The photocatalytic activity of the as‐obtained nanostructures was examined for methylene blue (MB) dye degradation under visible light irradiation (λ≥420 nm). After 70 min of irradiation, nearly 82 % of MB was degraded by CdS nanostructures, display an improved photocatalytic activity for MB degradation with an apparent rate constant (k) of 0.019 min−1. Additionally, CdS nanostructures sustained a good photostability after five consecutive cycles. The higher photocatalytic activity of CdS nanostructure is attributed to an efficient separation of photogenerated electron‐hole pairs stimulated by its optimal molar ratio, optimal temperature and surface morphology. Our synthesized stable nanostructures have potential for dye contaminated waste‐water treatment.
Antibacterial, Mechanical, and Thermal Properties of Ag, ZnO, TiO2 Reinforced PVA Nanocomposite Fibers
Authors: Duygulu Nilüfer Evcimen , Altinbay Aylin , Ciftci Fatih 
Published: August 2024

AbstractThis study investigated the effects of concentration and electrospinning parameters on the production of poly (vinyl alcohol) (PVA) nanofibers and examined the impact of reinforcing additives like nano‐sized silver (Ag), titanium oxide (TiO2), and zinc oxide (ZnO) on these nanofibers. The PVA concentration was varied between 3 % and 10 % wt./v, while the flow rate was adjusted to 0.5, 1, and 5 ml/h. The optimal conditions for producing PVA nanofibers are a concentration of 10 % wt./v at a flow rate of 0.5 ml/h and an applied voltage of 9 kV, resulting in nanofibers with an average diameter of 502±0.10 nm. PVA nanofibers reinforced with nano‐sized 3 % wt. Ag, TiO2, and ZnO and electrospun at optimum conditions. The morphological properties were determined using Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM), and the average fiber diameter was measured with the Image J program. The presence of nanoparticles within the nanofibers was confirmed through Energy Dispersive Spectrometry (EDS) and X‐ray diffraction (XRD). Chemical interactions of functional groups between PVA and ZnO, TiO2, and Ag NPs were analyzed with Fourier Transform Infrared Spectroscopy (FTIR), and thermal behaviors were studied with Thermogravimetric Analysis (TGA) and Differential Scanning Calorimetry (DSC). Among the water absorption, Ag‐reinforced PVA nanofibers showed maximum absorbance. Mechanical properties, evaluated through tensile testing, showed the elastic modulus of the nanocomposite fibers to be 38.07±12.01 MPa for PVA/Ag, 88.98±27.5 MPa for PVA/TiO2, and 30.56±9.77 MPa for PVA/ZnO. The antimicrobial activity of the nanoparticle‐reinforced PVA nanofibers was tested using the agar disc diffusion method. The results showed that both Ag and TiO2 reinforced PVA nanocomposite fibers exhibited significant antimicrobial activity (gram–(Escherichia coli) and gram+(Staphylococcus aureus)), with inhibition zones of 8.48±0.08 cm against E. coli and 9.98±0.47 cm against S. aureus for Ag, and 4.32±0.02 cm against E. coli and 3.56±0.05 cm against S. aureus for TiO2.
Intravascular Casting Radiopaque Hydrogel Systems for Transarterial Chemo/Cascade Catalytic/Embolization Therapy of Hepatocellular Carcinoma
Authors: Lee Song Yi , Choi Jin Woo , Hwang ChaeRim , Park JiHye , Karmakar Mrinmoy , Huh Ji Won , Kim Dae‐Duk , Kim Hyo‐Cheol , Cho Hyun‐Jong 
Published: August 2024

AbstractThis paper introduces catheter‐directed intravascular casting hydrogels for transarterial chemo/starvation/chemodynamic embolization (TACSCE) therapy of hepatocellular carcinoma (HCC). Comprising Mn ion‐crosslinked hyaluronic acid‐dopamine (HD) with glucose oxidase (for glucose decomposition to H2O2 in starvation therapy), doxorubicin (for chemotherapy), and iopamidol (for X‐ray imaging), these hydrogels are fabricated for transarterial embolization therapy guided by X‐ray fluoroscopy. Mn4+ (from MnO2) demonstrates strong coordination with the catechol group of HD, providing hypoxia relief through O2 generation and cellular glutathione (GSH) consumption, compared to the OH radical generation potential of Mn2+. The gelation time‐controlled, catheter‐injectable, and rheologically tuned multitherapeutic/embolic gel system effectively reaches distal arterioles, ensuring complete intravascular casting with fewer complications related to organic solvents. Glucose deprivation, cascade reactive oxygen species (ROS) generation, GSH depletion, and sustained release profiles of multiple drug cargos from the hydrogel system are also achieved. The combined chemo/starvation/chemodynamic efficacies of these designed hydrogel systems are confirmed in HCC cell cultures and HCC‐bearing animal models. The developed radiopaque/injectable/embolic/sol‐to‐gel transformable systems for TACSCE therapy may offer enhanced therapeutic efficacies compared to typical transarterial embolization and transarterial chemoembolization procedures for HCC.
Pulsed MPI Relaxometry of Brownian and Néel Field‐Dependent Relaxation in Superparamagnetic Magnetite Nanoparticles Confirm Theory and Simulations
Authors: Saayujya Chinmoy , Yousuf Khadija , Hao Yiyan , Hartley Allison , Yeo Kim Hwang , Swamynathan Arvind , Garlepp Justin , Huynh Quincy , Tay Zhi Wei , Chandrasekharan Prashant , Fellows Benjamin , Rodrigo Irati , Conolly Steven M. 
Published: August 2024

AbstractSuperparamagnetic iron oxide nanoparticles (SPIOs) are used as tracers in Magnetic Particle Imaging (MPI). It is crucial to understand the magnetic properties of SPIOs for optimizing MPI imaging contrast, resolution, and sensitivity. Brownian and Néel relaxation theory developed in the early 1950s posits that relaxation times can vary with particle size, shell thickness, medium viscosity, and the applied field strength. Magnetic relaxation can soon provide a unique imaging capability, the ability to distinguish bound from unbound MPI tracers in vivo. Yet experimental validation of these theories has not been completed. In this paper, a novel method of pulsed magnetic field relaxometry is used to directly probe the relaxation behavior of superparamagnetic magnetite nanoparticles over a spectrum of magnetic field amplitudes, providing the first experimental validation of theoretical relaxation models. It is also shown that closed‐form approximations generated in the early 1970s accurately match both data and numerical Fokker Planck computational models, which are computationally burdensome. This means researchers can trust these approximations for future modeling. All the findings can be translated to sinusoidal excitations used in conventional MPI scanning trajectories.
Engineering model for seismic analysis of flexible rail‐bound structures with uplift
Authors: Kloos (née Groß) Mirjam , Sadegh‐Azar Hamid 
Published: August 2024

AbstractIn this paper, a highly simplified two‐dimensional three‐mass oscillator model is presented, which reproduces the typical behaviour of flexible structures of large mobile equipment transverse to the rail under seismic excitation. The typical rocking motion of the machine found in previous investigations, which is reproduced in the simplified analytical model, is taken into account together with the characteristic properties of the load‐bearing structure of the complete model. The three‐mass oscillator model is designed in such a way that it is able to provide information about uplift, rocking and tilting as a function of the model parameters and the excitation. A novel approach for the coefficient of restitution is derived, which takes into account the impact of wheel on rail and at the same time includes the stiffness of the subsoil. Also, a non‐linear ground stiffness could be captured with this approach, and thus the influence of the ground could be investigated. This approach is of generic character, so it may be useful to a wide range of other engineering fields than mobile equipment as well. Structural parameters are determined for a range of bucket wheel machines and stackers, producing rocking and tilting spectra under sinusoidal excitations and generating tilting delimitations under seismic excitations. Using a numerical beam‐mass model corresponding to the engineering model, the simplified multi‐mass model can be validated.