bluuebunny/crossref_metadata_2025_split huggingface dataset:
Study on free and entangled binary metal nanocatalysts for removal of 2,4,6-trichlorophenol in aqueous phase: a comparative study
Authors: Chris Felshia S , Gnanamani A 
Published: April 2023

Abstract
The present study highlights the comparative catalytic removal of 2,4,6-trichlorophenol (TCP) in the aqueous phase by binary nanoparticles in free as well as entangled forms. In brief, binary nanoparticles comprising Fe–Ni are prepared, characterized, and subsequently entangled in reduced graphene oxide (rGO) for better performances. Optimization studies on the mass of free and rGO-entangled binary nanoparticles with respect to TCP concentration and other environmental factors were carried out. Results suggested that free binary nanoparticles at 40 mg ml−1 took 300 min to dechlorinate 600 ppm of TCP, whereas rGO-entangled Fe–Ni particles at the same mass took only 190 min to dechlorinate when the pH was maintained at near neutral. In addition, experiments on the reuse of the catalyst with respect to removal efficiency were carried out, and the results implied that, compared to free form, rGO-entangled nanoparticles exemplify more than 98% of removal efficacy even after 5 times of exposure to 600 ppm TCP concentration. The reduction in percentage removal was observed after the sixth exposure. A sequential dechlorination pattern was assessed and confirmed using high-performance liquid chromatography. Further, the phenol-enriched aqueous phase is exposed to Bacillus licheniformis SL10, which degrades the phenol effectively within 24 h. In conclusion, the prepared binary nanoparticles, both in free as well as in rGO-entangled forms, effectively dechlorinate 2,4,6-TCP contaminations in the aqueous phase, but with differences in removal duration. Entanglement also makes it easier to reuse the catalyst. Furthermore, microbial phenol degradation allows the aqueous phase to be free of 2, 4, and 6-TCP contamination and allows for the reuse of treated water.
Persistent charge storage and memory operation of top-gate transistors solely based on two-dimensional molybdenum disulfide
Authors: Tsai Po-Cheng , Yan Coung-Ru , Chang Shoou-Jinn , Chang Shu-Wei , Lin Shih-Yen 
Published: April 2023

Abstract
We fabricate top-gate transistors on the three-layer molybdenum disulfide (MoS2) with three, two, and one layers in the source and drain regions using atomic layer etching (ALE). In the presence of ALE, the device at zero gate voltage can exhibit high and low levels of drain current under the forward and reverse gate bias, respectively. The hysteresis loop on the transfer curve of transistor indicates that two distinct charge states exist in the device within a range of gate bias. A long retention time of the charge is observed. Unlike conventional semiconductor memories with transistors and capacitors, the two-dimensional (2D) material itself plays two parts in the current conduction and charge storage. The persistent charge storage and memory operation of the multilayer MoS2 transistors with thicknesses of a few atomic layer will further expand the device application of 2D materials with reduced linewidths.
The role of fast ions in spontaneous neoclassical tearing mode instabilities in NSTX
Authors: Yang J , Podestà M , Fredrickson E D , Liu C , Berkery J W , Poli F M 
Published: April 2023

Abstract
Spontaneous neoclassical tearing modes (spontaneous NTMs) have been observed in the National Spherical Torus Experiment (NSTX). Recently, a TRANSP based model for the modified Rutherford equation analysis was developed to accurately predict the effect of fast ions on the growth of magnetic islands. The goal of this paper is to utilize the TRANSP NTM model to understand the role of fast ions in NSTX spontaneous NTMs. Our analysis shows that when the passing fast ion driven kinetic neoclassical polarization current term is larger than 1% of the bootstrap current term in the modified Rutherford equation, fast ions play a decisive role in the early growth phase of spontaneous NTM. This result is applicable to any tokamak plasmas with a fast ion drift orbit width, or the fast ion poloidal Larmor radius, comparable to the magnetic island width.
Influence of interlocking blocks assembly on the actuation time, shape change, and reversibility of voxel-based multi-material 4D structures
Authors: Benyahia Kheira , Gomes Samuel , André Jean-Claude , Qi H Jerry , Demoly Frédéric 
Published: April 2023

Abstract
Interlocking blocks have been explored to solve assembly issues in large and complex structures, and are increasingly being used in additive manufacturing (AM) to build objects with multiple properties and dissimilar materials. 4D printing, which combines AM and smart materials, is being investigated to upgrade objects in terms of shape and/or property changes once stimulated with energy. A trend in 4D printing is to strategically arrange active and passive materials for better control and performance. Multi-material AM is challenging, but one alternative solution is to develop interlocking mechanisms to print dissimilar materials. This work deepens the approach of interlocking blocks assembly by investigating their effect on the behavior of multi-material 4D printed structures. Using a computational design approach, which converts a material distribution into interlocking blocks intended to be printed separately and then assembled to achieve a desired shape change, the study compares structures printed in one go versus interlocking ones. The mechanical/stimulation tests and numerical simulations conducted demonstrate that interlocking structures exhibit relevant mechanical performance while enhancing better actuation response than multi-material structures within a single print.
Systematic strain-induced bandgap tuning in binary III–V semiconductors from density functional theory
Authors: Mondal Badal , Tonner-Zech Ralf 
Published: April 2023

Abstract
The modification of the nature and size of bandgaps for III-V semiconductors is of strong interest for optoelectronic applications. Strain can be used to systematically tune the bandgap over a wide range of values and induce indirect-to-direct transition (IDT), direct-to-indirect transition (DIT), and other changes in bandgap nature. Here, we establish a predictive first-principles approach, based on density functional theory, to analyze the effect of uniaxial, biaxial, and isotropic strain on the bandgap. We show that systematic variation is possible. For GaAs, DITs are observed at 1.56% isotropic compressive strain and 3.52% biaxial tensile strain, while for GaP an IDT is found at 2.63% isotropic tensile strain. We additionally propose a strategy for the realization of direct-to-indirect transition by combining biaxial strain with uniaxial strain. Further transition points are identified for strained GaSb, InP, InAs, and InSb and compared to the elemental semiconductor silicon. Our analyses thus provide a systematic and predictive approach to strain-induced bandgap tuning in binary III-V semiconductors.
Relaxation echo
Authors: Sazonov S V 
Published: April 2023

AbstractThe possibility of generation of a microwave echo-signal due to irreversible phase relaxation in a system of equidistant triplets with a cascade scheme of magnetic-dipole transitions is predicted. The disappearance of relaxation entails the disappearance of this echo-signal. The mechanism of this effect lies in the destructive interference of quantum transitions, which radiate in anti-phase with the same eigen-frequencies. The difference in phase relaxation times for these transitions leads to incomplete damping of the resulting coherence. As a result an echo-signal is generated.
Validation of Foreground Emission Model using GALEX Medium Observations
Authors: Narayanan Nimmi , Menon Shivashankar S. , Sujatha N. V. 
Published: April 2023

Abstract
The study of diffuse ultraviolet (UV) background radiation is vital in the investigation of stellar and galactic evolution. Space-based UV observations are comprised of both foreground and background radiations. The foreground emission in an observation is a result of solar contamination in the direction of observation. In our previous work, we modeled airglow (one of the major constituents of the foreground emission) as a function of 10.7 cm Solar Flux and Sun Angle with great accuracy using GALEX deep observations. We adopt a similar methodology to validate the obtained model and run equivalent experiments here using far-UV (FUV) and near-UV (NUV) GALEX medium imaging surveys (MIS) with a total exposure time greater than 3300 s. We obtained a predictive model having excellent compatibility with the earlier model. Our analysis shows that the total foreground emission varies between 59 and 295 photon units in FUV whereas in NUV, it varies between 671 and 1195 photon units depending upon the date and time of observation. We also noticed a strong correlation between the background emission and optical depth both in FUV and NUV, especially in the low density regions. This clearly indicates that the major contributor in diffuse background radiation is the starlight scattered by interstellar dust grains.
PFPO plasma scenarios for exploration of long pulse operation in ITER
Authors: Polevoi A.R. , Loarte A. , Gorelenkov N.N. , Gribov Y. , Medvedev S.Yu. , Bilato R. , Dubrov M. , Hosokawa M. , Kavin A. , Kazakov Ye.O. , Khayrutdinov R. , Kim S.H. , Kuyanov A.Yu. , Lukash V. , Schneider M. 
Published: April 2023

Abstract
Long Pulse Scenarios (LPS) in ITER foreseen during the Pre-Fusion Power Operation (PFPO) phase of the ITER Research Plan (IRP) are assessed using 1.5D transport simulations within the ASTRA framework. Such assessment is required to predict the operational space for LPS operation in PFPO, as well as to evaluate which physics processes for LPS operation during Fusion Power Operation (FPO) could be studied during PFPO. An important aspect in the development of LPSs in PFPO is to minimize lifetime consumption of the Central Solenoid (CS) for these scenarios. The maximum pulse length achievable for LPSs in PFPO with no consumption of CS lifetime (currents in CS coils ⩽30 kA per turn) has been assessed for a range of heating schemes and heating mixes, confinement regimes (L-mode and H-mode) and for helium and hydrogen plasmas. The operational space of LPS and pulse length has been explored through density scans with the Heating and Current Drive mix required for the FPO Q ⩾ 5 steady-state plasma scenario (namely Neutral Beam Injection and Electron Cyclotron Heating) including acceptable shine through losses on the first wall for both helium and hydrogen plasmas. Fast particle physics aspects that are common between FPO plasmas and LPS PFPO H-mode plasmas at low densities are studied including MHD stability analysis with the KINX code and non-perturbative critical gradient model based on high-n Toroidal Alfven Eigenmodes (TAE) stability kinetic ballooning code HINST calculations.
Effects of one-loop on-shell and off-shell decay H* → VV at future lepton colliders
Authors: Nguyen Anh Thu , Tran Dzung Tri , Phan Khiem Hong 
Published: April 2023

Abstract
One-loop on-shell and off-shell decays H → VV with VV = γγ, Zγ, ZZ are presented in this paper. The effects of one-loop on-shell and off-shell Higgs decays via Higgs productions at future lepton colliders are also then examined. We find that the impacts of one-loop Higgs decays are significant and they are should be taken into account at future lepton colliders.
Investigating structural features of dimeric SARS-CoV-2 Mpro catalytic site with bound covalent ligands at physiological temperature
Authors: Lai Hien T. T. , Nguyen Toan T. 
Published: April 2023

AbstractThe SARS-CoV-2 main protease (Mpro) plays an important role in the viral transcription and replication of the SARS-CoV-2 virus that is causing the Covid-19 pandemic worldwide. Therefore, it represents a very attractive target for drug development for treatment of this disease. It is a cysteine protease because it has in the active site the catalytic dyad composed of cysteine (C145) and histidine (H41). The catalytic site represents the binding site for inhibitors, many of them bind to Mpro with a covalent bond. In this research, structural and physiochemical characteristics of the Mpro binding site are investigated when the ligand 11a is covalently and non-covalently bound. All-atom molecular dynamics (MD) simulations were run for 500 ns at physiological temperature (310 K). It is found that conformations of both the Mpro protein and the ligand are stable during the simulation with covalently bound complex showing stronger stability. When the ligand is covalently bound (its final state), residues that stably interact with the ligand are H41, C145, H163, H164 and E166. The optimal conformation of these residues is stabilized also via the Hbond interactions with the catalytic water present in the Mpro binding site. In the case of the non-covalently bound ligand (state before the covalent bond is formed), the binding site residues retain their conformations similar to the covalent binding site, and they still form Hbonds with the catalytic water, except H41. This residue, instead, adopts a different conformation and looses the Hbond with the catalytic water, leaving more freedom to move to the ligand. We hypothesize that H41 could play a role in guiding the ligand to the optimal position for final covalent bonding. Further analyses are in process to check this hypothesis. These results represent an important basis for studying drug candidates against SARS-CoV-2 by means of computer aided drug design.
Analysis on transient characteristics of air-cooled thermoelectric cooler in confined space with internal heat source
Authors: Meng Fankai , Xu Chenxin , Sun Yuetong 
Published: April 2023

Abstract
A transient model of the thermoelectric refrigerator working in a cooling space with an internal heat source is established. The influence of key parameters on the transient performance of the thermoelectric refrigerator under different working conditions is analyzed. The changes of the minimum cooling temperature and the cooling coefficient is analyzed, which were compared with different internal heat source power, input current and filling factor. The results show that the power of internal heat source has a significant impact on the cooling temperature and the time required for temperature stabilization. There are optimal working current and optimal filling coefficient which can make the cooling rate reach the maximum and the cooling space temperature reach the minimum respectively. The optimal filling factor increases with the power of the internal heat source.
Preliminary application of Air-Wave-Sea coupling model in Bohai sea
Authors: Zhang Yansheng , Yang Jinkun , Miao Qingsheng 
Published: April 2023

Abstract
In view of the important practical needs of marine forecasting and marine production in the Bohai Sea port, this paper constructs a regional high-resolution coupled forecasting model of sea air waves to carry out 5-day marine forecasting. The resolution of ocean and wave models is higher than 1km, and the resolution of the inner layer grid of the atmospheric model is 3km. Compared with the international advanced model HYCOM, it is found that the simulation results of the high sub regional coupling model are obviously better than those of HYCOM, its results clearly shows the flow field and tidal current characteristics, which are consistent with the observation results; The spatial modes of SST are consistent with HYCOM. The results of current and SST indicate that the prediction results of the coupled model are reliable and better than those of HYCOM.
Mine environment evaluation in Anhui Province based on RS and GIS
Authors: Liu Xiaoyang , Yang Jinzhong , Dong Qilang , Zhou Yingjie , Yu Hang 
Published: April 2023

Abstract
In order to understand the extent of damage to the environment and the scope of impact of mine development, using domestic high resolution satellite data, application of remote sensing and geographic information system technology, for comprehensive evaluation of the mining environment in Anhui Province, through the analytic hierarchy process, the quantitative analysis and zoning study of the mine environmental conditions are carried out, 16 evaluation factors were determined, and the comprehensive evaluation index model of mine geological environment was established, set comprehensive evaluation grade. Through analysis and research, the mining geological environment in Anhui Province is divided into four grades: seriously affected area, relatively seriously affected area, generally affected area and non-affected area. Field investigation and verification were carried out in the area seriously affected by the geological environment of the mine. The results showed that use of RS and GIS technology to carry out mine environment assessment in Anhui Province can more accurately reflect the extent of damage and scope of impact of mine development on the environment, and provide relatively reliable technical support and scientific basis for subsequent mine environment restoration and management.
High frequency variation characteristics of water quality and algae in Meiliang Bay of Taihu Lake in summer and the correlation analysis
Authors: Yuan Qifan 
Published: April 2023

Abstract
This study aimed to observe the characteristics of water quality and algae in Meiliang bay of Taihu Lake, China, and probe the correlation. The water quality and algae were observed at fixed sites and high frequency (three times per day) for five days. The observation indexes included: (1) water temperature, dissolved oxygen percentage, dissolved oxygen concentration, electrical conductivity, TDS, salinity, pH and ORP. (2) Total nitrogen (TN), total dissolved nitrogen (TDN), total phosphorus (TP), total dissolved phosphorus (TDP), chlorophyll-a content, permanganate index (COD), NO3
−-N, NH4
+-N, and PO4
3-P. Then correlation analysis was conducted between the above indexes and algae growth. The results showed that:(1) The concentration of TN was 1.479±0.152mg/L. The concentration of TP was 0.113± 0.019mg/L. The COD concentration was 4.584±0.549mg/L. (2) A variety of algae were observed in the samples, among which microcystis was the most abundant. The concentration of chlorophyll-a was 28.509±7.421ug/L. (3) Chlorophyll-a content was significantly correlated with TDN, TDP, PO4
3-P (P < 0.001), NH4
+-N, NO3
−-N (P < 0.01), and TP (P < 0.05). Based on above results, we conclude that all the indexes in Meiliang Bay of Taihu Lake are in the normal range, indicating that the effects of ecological management is obvious. However, the water environment is still suitable for the growth of algae, especially cyanobacteria, so there is still potential danger of cyanobacteria bloom. It is necessary to strengthen monitoring and take timely countermeasures.
Hydrothermal synthesis of zinc oxide/PEDOT:PSS composite for flexible temperature sensor application
Authors: Aidit S N , Rezali F A M , Nor N H M , Yusoff N , Ma Li-Ya , Hatta S F W M , Soin N 
Published: April 2023

Abstract
A flexible and printable temperature sensor was proposed for a fast detection of temperature measurements. A hybrid composite of zinc oxide (ZnO) and a conductive polymer poly(3,4-ethylenedioxythiophene):poly(styrenesulfonicacid) (PEDOT:PSS) was utilized as the temperature-sensing layer. An interdigitated electrodes structure based on silver (Ag) ink was used to electrically connect the composite through a facile drop-casting technique. A standout aspect of this work is the presentation of ZnO/PEDOT:PSS as a temperature-sensing layer. The PEDOT:PSS flakes were connected by hydrothermally prepared ZnO nanorods, which increased the composite sheets’ electrical conductivity. The linearity, sensitivity, stability and dynamic response of the flexible sensor were examined from a temperature of 29 °C–60 °C. The sensor has high sensitivity of 1.06% °C−1 with response and recovery times of 5 s and 12.7 s, respectively. This work clearly demonstrates the potential of ZnO/PEDOT:PSS composite for flexible temperature sensor and adds to the rapidly expanding field of personalized mobile healthcare.
A systematic printability study of direct ink writing towards high-resolution rapid manufacturing
Authors: Zheng Qingyang , Xie Bin , Xu Zhoulong , Wu Hao 
Published: April 2023

Abstract
Direct ink writing (DIW) holds enormous potential in fabricating multiscale and multi-functional architectures by virtue of its wide range of printable materials, simple operation, and ease of rapid prototyping. Although it is well known that ink rheology and processing parameters have a direct impact on the resolution and shape of the printed objects, the underlying mechanisms of these key factors on the printability and quality of DIW technique remain poorly understood. To tackle this issue, we systematically analyzed the printability and quality through extrusion mechanism modeling and experimental validating. Hybrid non-Newtonian fluid inks were first prepared, and their rheological properties were measured. Then, finite element analysis of the whole DIW process was conducted to reveal the flow dynamics of these inks. The obtained optimal process parameters (ink rheology, applied pressure, printing speed, etc) were also validated by experiments where high-resolution (<100 μm) patterns were fabricated rapidly (>70 mm s−1). Finally, as a process research demonstration, we printed a series of microstructures and circuit systems with hybrid inks and silver inks, showing the suitability of the printable process parameters. This study provides a strong quantitative illustration of the use of DIW for the high-speed preparation of high-resolution, high-precision samples.
Effects of Nightshift Work on Blood Metabolites in Female Nurses and Paramedic Staff: A Cross-sectional Study
Authors: van de Langenberg Daniella , Dollé Martijn E T , van Kerkhof Linda W M , Vermeulen Roel C H , Vlaanderen Jelle J 
Published: April 2023

Abstract
Nightshift work disturbs the circadian rhythm, which might contribute to the development of cardio-metabolic disorders. In this cross-sectional study, we aimed to gain insight into perturbations of disease relevant metabolic pathways due to nightshift work. We characterized the metabolic profiles of 237 female nurses and paramedic staff participating in the Klokwerk study using the Nightingale Health platform. We performed analyses on plasma levels of 225 metabolites, including cholesterol, triglycerides, fatty acids, and amino acids. Using both principal component- and univariate-regression, we compared metabolic profiles of nightshift workers to metabolic profiles from workers that did not work night shifts (defined as day workers). We also assessed whether differential effects were observed between recently started versus more experienced workers. Within the group of nightshift workers, we compared metabolic profiles measured right after a nightshift with metabolic profiles measured on a day when no nightshift work was conducted. We observed evidence for an impact of nightshift work on the presence of unfavorable fatty acid profiles in blood. Amongst the fatty acids, effects were most prominent for PUFA/FA ratios (consistently decreased) and SFA/FA ratios (consistently elevated). This pattern of less favorable fatty acid profiles was also observed in samples collected directly after a night shift. Amino acid levels (histidine, glutamine, isoleucine, and leucine) and lipoproteins (especially HDL-cholesterol, VLDL-cholesterol, and triglycerides) were elevated when comparing nightshift workers with day workers. Amino acid levels were decreased in the samples that were collected directly after working a nightshift (compared to levels in samples that were collected during a non-nightshift period). The observed effects were generally more pronounced in samples collected directly after the nightshift and among recently started compared to more experienced nightshift workers. Our finding of a suggested impact of shift work on impaired lipid metabolism is in line with evidence that links disruption of circadian rhythmicity to obesity and metabolic disorders.