bluuebunny/crossref_metadata_2025 huggingface dataset:
Translating from Proteins to Ribonucleic Acids for Ligand‐binding Site Detection
Authors: Möller Lukas , Guerci Lorenzo , Isert Clemens , Atz Kenneth , Schneider Gisbert
Published: May 2022

Identifying druggable ligand‐binding sites on the surface of the macromolecular targets is an important process in structure‐based drug discovery. Deep‐learning models have been shown to successfully predict ligand‐binding sites of proteins. As a step toward predicting binding sites in RNA and RNA‐protein complexes, we employ three‐dimensional convolutional neural networks. We introduce a dataset splitting approach to minimize structure‐related bias in training data, and investigate the influence of protein‐based neural network pre‐training before fine‐tuning on RNA structures. Models that were pre‐trained on proteins considerably outperformed the models that were trained exclusively on RNA structures. Overall, 71 % of the known RNA binding sites were correctly located within 4 Å of their true centres.
Characterization of early and late transition states of the folding pathway of a SH2 domain
Authors: Toto Angelo , Malagrinò Francesca , Nardella Caterina , Pennacchietti Valeria , Pagano Livia , Santorelli Daniele , Diop Awa , Gianni Stefano
Published: May 2022

Albeit SH2 domains are abundant protein–protein interaction modules with fundamental roles in the regulation of several physiological and molecular pathways in the cell, the available information about the determinants of their thermodynamic stability and folding properties are still very limited. In this work, we provide a quantitative characterization of the folding pathway of the C‐terminal SH2 domain of SHP2, conducted through a combination of site‐directed mutagenesis and kinetic (un)folding experiments (Φ‐value analysis). The energetic profile of the folding reaction of the C‐SH2 domain is described by a three‐state mechanism characterized by the presence of two transition states and a high‐energy intermediate. The production of 29 site‐directed variants allowed us to calculate the degree of native‐like interactions occurring in the early and late events of the folding reaction. Data analysis highlights the presence of a hydrophobic folding nucleus surrounded by a lower degree of structure in the early events of folding, further consolidated as the reaction proceeds towards the native state. Interestingly, residues physically located in the functional region of the domain reported unusual Φ‐values, a hallmark of the presence of transient misfolding. We compared our results with previous ones obtained for the N‐terminal SH2 domain of SHP2. Notably, a conserved complex folding mechanism implying the presence of a folding intermediate arise from comparison, and the relative stability of such intermediate appears to be highly sequence dependent. Data are discussed under the light of previous works on SH2 domains.
The ‘intention to stay’ of the floating migrant population: A spatiotemporal meta‐analysis in Chinese cities
Authors: Liu Tao , Xiao Wen
Published: May 2022

Recent literature on the floating population in Chinese cities has shed much light on their intention to stay in the city, while the empirical results have been highly controverted. This study performed a meta‐analysis to quantitatively examine the spatiotemporal variation in research foci and the changes in the characteristics of the floating population per se by synthesizing 152 peer‐reviewed papers on their intention of long‐term residence. Meta‐regression was performed to identify the main causes of the heterogeneous effects of typical determinants. The results firstly verified the strong and increasing intention of the floating population to stay in cities. Academic foci have changed significantly with the growing trend of family migration and the increasing relative attraction of large cities in central and western regions compared with the coastal megaregions over the past 15 years. Both consistency and changes in previous findings were identified and explained. Specifically, female, better education, higher income and longer living duration in host cities were confirmed as reliable indicators of stronger intention to stay in the city, while differences among results could be attributed mainly to the varying social conventions, living costs and changing thoughts of the floating population.
Employing Poly(4‐Vinylpyridine) as the Dielectrics for Enhanced Molybdenum Disulfide Field‐Effect Transistors
Authors: Mao Yuke , Chen Saisai , Wang Guidong , Zhang Hao , Zhang Yu , Chen Xiong , Wang Jun
Published: May 2022

Herein, field‐effect transistors (FET) based on multilayer molybdenum disulfide (MoS2) nanoflakes are fabricated by employing poly(4‐vinylpyridine) (PVP) as the modified layer of typical inorganic dielectric (SiO2). The MoS2 nanoflakes are directly exfoliated from bulk MoS2 and transferred onto the PVP surface instead of bare SiO2 substrate that renders the enlarged nanoflake size. Taking advantage of the high surface energy and low surface roughness of PVP surface, the enhanced interaction between PVP and MoS2 bulk crystal may be achieved that is responsible for the large‐size MoS2 nanoflakes (≈2.5 × 105 μm2). Importantly, MoS2 FETs based on the double‐gate insulators consisting of PVP and SiO2 exhibit improved device performances. The on‐state current presents a fivefold increase and the field‐effect mobility is improved from 4.75 to 167.79 cm2 Vs−1, which are attributed to the PVP surface with low charge‐trap states and the lowered Schottky Barrier height (ΦSB). The current studies will effectively push the applications of MoS2 nanoflakes in flexible electronics.
Relaxation Delay of Ge‐Rich Epitaxial SiGe Films on Si(001)
Authors: Salomon Andreas , Aberl Johannes , Vukušić Lada , Hauser Manuel , Fromherz Thomas , Brehm Moritz
Published: May 2022

The realization of several future electronic and optoelectronic Si‐based devices is impeded by the limited critical thickness of strained, pseudomorphic, and Ge‐rich Si1−xGex layers grown on Si(001) substrates, i.e., before their relaxation. Herein, atomic force microscopy is used to investigate the surface morphology of about 170 Si1−xGex/Si(001) samples with various Ge compositions ranging from ≈36% to 100% and film thicknesses from ≈1 to ≈16 nm. Furthermore, by defining the quality standards concerning the surface roughness, the relaxation behavior is explored for epitaxial films with x significantly larger than 50%, which is experimentally lacking to date. Thereby, it is found that by lowering the substrate temperature during molecular beam epitaxy growth to 350 °C, Ge‐rich and dislocation‐free epitaxial films with an excellent root‐mean‐square surface roughness of <0.2 nm can be deposited. Furthermore, the low surface roughness is conserved for thicknesses well beyond the theoretical predictions of People and Bean.
High‐resolution spatiotemporal analysis of hydrologic connectivity in the historical floodplain of straightened lowland agricultural streams
Authors: Marchand Jean‐Philippe , Biron Pascale , Buffin‐Bélanger Thomas , Larocque Marie
Published: May 2022

In agricultural watersheds, human interventions such as channel straightening have disrupted the hydrologic connectivity between headwater streams and their riparian environment and have thus undermined the ecological services provided by these small streams. Knowledge of the hydrologic connectivity between these streams and their immediate environment (shallow riparian groundwater in the historical floodplain and on adjacent hillslopes) in human‐impacted settings is critical for understanding and restoring these hydrological systems but remains largely incomplete. The objective of this research is to investigate the hydrogeomorphological conditions controlling hydrologic connectivity in the historical floodplain of straightened lowland streams. Detailed measurements on the spatiotemporal variability of groundwater‐surface water interactions between straightened reaches, historical floodplain including abandoned meanders, and the adjacent hillslopes were obtained using a dense network of piezometers at two sites in the St. Lawrence Lowlands (Quebec, Canada). Results show that the complex mechanisms controlling hydrologic connectivity in naturally meandering lowland rivers also operate in highly disturbed straightened reaches, despite backfilling and agricultural practices. The pre‐straightening hydrogeomorphological configuration of the floodplain partly explains the complex patterns of piezometric fluctuations observed at the sites. The apex of the abandoned meanders stands out as a focal area of hydrologic connectivity as water levels indicate pressure transfer that may reflect flows from the stream, the hillslopes, and the surrounding historical floodplain. These unique field observations suggest that abandoned meanders should be promoted as key elements of restoration strategies in lowland agricultural straightened headwater streams.
Kinetics of Methane Hydrate Formation in the Presence of Silica Nanoparticles and Cetyltrimethylammonium Bromide
Authors: Zhai Jiaqi , Shang Liyan , Zhou Li , Yao Xiuqing , Bai Junwen , Lv Zhenbo
Published: May 2022

Hydrate technology promoted the development of natural gas industry. Nanoparticles showed a broad prospect for hydrate technology because of their excellent mass and heat transfer characteristics. At an experimental temperature of 275.15 K and pressure of 5 MPa, silica nanoparticles and cetyltrimethylammonium bromide (CTAB) were used to investigate the characteristics (pressure drop, gas storage capacity, and formation rate). The experimental results showed that the higher the concentration of silica nanofluid, the shorter the induction time. Among the four silica nanoparticles concentration (0.1, 0.2, 0.3, and 0.5 wt%) tested in this work, the concentration of 0.3 wt% was optimal for the enhancement of CH4 hydrate formation. In the complex system composed of silica nanoparticles and CTAB, the surface of silica nanoparticles was positively charged by hydrolysis. The cationic active groups ionized by surfactants were aggregated to the surface of the particles under the Coulomb force. Methane molecules were gathered to hydrophobic groups by non‐polar adsorption, which was more conducive to hydrate formation. Compared to silica nanofluid, the total time for hydrate formation decreased by 66.2 %.
Magnetically Separable Zn1‐xCu0.5xMg0.5xFe2O4 Ferrite: A Stable Catalyst for Reduction of 4‐Nitrophenol
Authors: Balgude Sagar , Patil Kundan , Moharil Shantanu , Puranik Mohit , Kadam Suresh , Lokhande Pradnya , Patange Sunil , More Paresh
Published: May 2022

Spinel ferrites have recently received significant attention due to their high potential for environmental remediation. We herein report highly stable Cu−Mg substituted zinc ferrites, which were achieved for the first time using a sonochemical method. The phase purity and chemical composition of as‐synthesized ferrites were confirmed by using X‐ray diffraction (XRD) and X‐ray photoelectron spectroscopy (XPS). The size, shape, magnetic properties, and morphology of ferrites were characterized by using Transmission electron microscopes (TEM), Energy Dispersive X‐Ray Analysis (EDX), and Vibrating Sample Magnetometer (VSM). The catalytic performance of the synthesized ferrite was observed in the reduction of aqueous 4‐nitrophenol to 4‐aminophenol with NaBH4. The maximal reduction attained by the Zn1‐xCu0.5xMg0.5xFe2O4 nanoferrite (1.5 min) was significantly impactful than that of other ferrites. The rate constant for the reduction of 4‐nitrophenol was determined to be 0.502 min−1, which was higher than previously reported literature values, and the reduction followed pseudo first‐order kinetics. The cation distribution, crystallinity, and morphology of Zn1‐xCu0.5xMg0.5xFe2O4 were found to be responsible for its higher catalytic activity. Further, this research has the potential to be useful in environmental remediation and offers new findings on mixed ferrite.
Palladium Nanoparticles Stabilized by Lentinan with Enhanced Peroxidase‐like Activity for Sensitive Detection of H2O2
Authors: Li Ruyu , Dong Le , Liang Ying , Cui Yanshuai , Ji Xianbing , Xiao Haiyan , Gao Shoubei , Wang Longgang
Published: May 2022

Natural enzymes are special proteins with excellent catalytic activity and selectivity. It is difficult to purify, store without losing the catalytic ability. Therefore, it is of great significance to study mimetic enzymes to realize the functions of natural enzymes and overcome their shortcoming. Herein, lentinan was used as a biological template to prepare palladium nanoparticles stabilized by lentinan (Pd‐LNT NPs), whose structure, activity and function were characterized. In addition, the 3,3′,5,5′‐tetramethylbenzidine (TMB) was oxidized by Pd‐LNT NPs in the presence of H2O2, which proved that they had good peroxidase‐like activity. The optimum reaction conditions were 30 °C and pH 4, the catalytic kinetic parameters were consistent with Michaelis‐Menten equation, and the good catalytic performance was verified. Furthermore, the colorimetric reaction based on the good peroxidase‐like activity of Pd‐LNT NPs was used for the convenient detection of H2O2. The linear range of colorimetric detection of H2O2 was 3.571‐107.143 μM, and it is worth noting that the detection limit was low to 4.714 μM. At last, Pd‐LNT NPs as biomimetic enzymes were used to detect the H2O2 released from HeLa cells, indicating they have great potential in the field of biological application.
Effects of Mn, Zr and Ni Promoters on the Performance of CuZnO Catalyst for Ethanol Synthesis via CO Hydrogenation
Authors: Gong Jie , Liu Jing , Wang Sen , Guo Guangkai , Fan Jinchuan , Huang Wei
Published: May 2022

A series of CuZnO catalysts modified with Mn, Zr and Ni promoters were prepared by the complete liquid‐phase method. The performance of the modified catalysts for synthesis of ethanol from syngas was evaluated in slurry bed reactor. The results show that Mn and Zr can effectively improve the CO conversion and reduce the generation of hydrocarbons. Under the reaction conditions of 4 MPa and 280 °C, the ethanol selectivity reached 17.7 % in the 2 %Ni modified catalyst. The H2‐TPR characterization results showed that the presence of a large amount of highly dispersed Cu+ in the Mn and Zr‐promoted catalysts is conducive to the improvement of CO conversion. The XPS results showed that the addition of Ni was beneficial to the increase of surface oxygen vacancy content. It is speculated that the existence of oxygen vacancies is favorable to the insertion of CO molecules, and further conducive to the synthesis of ethanol.
Application of Nitric Acid Modified Multi‐Walled Carbon Nanotubes for Efficient Removal of Methylene Blue in Aqueous Solution
Authors: Yang Yue , Zhu Wenyu , Guan Chengli
Published: May 2022

In this work, multi‐walled carbon nanotubes (MWCNTs) was modified with nitric acid and applied as efficient adsorbents for the removal of methylene blue (MB) in aqueous solution. The morphologies of the modified MWCNTs were characterized by N2 adsorption‐desorption (BET), transmission electron microscope (TEM) and X‐ray photoelectron spectroscopy (XPS). Batch experiments were conducted systematically to explore the effects of various parameters including mass dosage of adsorbents, initial concentration of MB dye, pH of solution and ionic strength about the adsorption performance with modified MWCNTs. The adsorption for MB pollutants achieves the highest efficiency of 95.18 % occurring at about pH 11 when the adsorbent dosage is at 1.0 g L−1, the initial dye concentration is at 50 mg L−1 and the concentration of NaCl is 0 M. And the Langmuir, Freundlich and Temkin equilibrium isotherms were researched. The results revealed both the Freundlich and Langmuir isotherms fitted well to experimental data suggesting adsorption of MB onto MWCNTs as a result of a monolayer formation. In addition, the adsorption behavior of MB dye followed the pseudo second‐order kinetics indicating there was a synergistic effect in the adsorption process based on the factors of mass transfer resistance in the particles, the external liquid membrane diffusion, surface adsorption and internal diffusion of the particles.
Mixed Co‐Mn Spinel Oxides Based Electrocatalysts for Amperometric Determination of Hydrogen Peroxide
Authors: Li Tong , Xi Kaiyin , Jiang Peng‐Yang , Pan Qiu‐Ren , Feng Yunhui , Wu Huixiang
Published: May 2022

Herein, we present an efficient non‐enzymatic electrochemical sensor for H2O2 detection based on the catalytic‐reduction of H2O2 on ZnMn0.5Co1.5O4. The ZnMn0.5Co1.5O4 derived from ZnCo2O4 by the partial substitution of Co with Mn was synthesized via sol‐gel combustion method. The catalytic performance of ZnMn0.5Co1.5O4 for the reduction of H2O2 is better than that of ZnCo2O4, attributing to the synergetic effects of electronic structure, lattice distortion, and multivalent state of Mn. Specifically, as‐fabricated ZnMn0.5Co1.5O4‐based electrochemical sensor shows an excellent quantitative detection capability toward H2O2 in a wide range of 5 to 7585 μM, with a theoretical detection limit of 0.12 μM (3S/N). Moreover, the excellent reproducibility and selectivity for H2O2 sensing was also verified. The excellent recoveries from 94.4 to 103.2 % were obtained for H2O2‐spiked orange juice and beer. More importantly, the sensor exhibits desirable performance in the real‐time monitoring of H2O2 released from living human colon cancer cell (HCT116 cells). The results indicate that the as‐presented sensor is a promising candidate for the H2O2 determination in food safety and clinical diagnose.
Fast‐Charging Electrolyte: A Multiple Additives Strategy with 1,3,2‐Dioxathiolane 2,2‐Dioxide and Lithium Difluorophosphate for Commercial Graphite/LiFePO4 Pouch Battery
Authors: Hu Yang , Zhang Zhenghua , Wang Hongmei
Published: May 2022

Safe fast‐charging lithium‐ion batteries (LIBs) can be achieved by using LiFePO4 electrode and optimized electrolyte for the rapid development of electric vehicles. However, conventional carbonate electrolyte suffers resistive solid electrolyte interphase (SEI) that hampering the fast‐charging for LIBs. Herein, a multiple additive strategy, the combination of 1,3,2‐Dioxathiolane 2,2‐dioxide (DTD) and lithium difluorophosphate (DFP), is proposed to optimize the electrode interface for graphite (Gr)/LiFePO4(LFP) pouch cells under fast‐charging. Combining DTD with DFP can significantly reduce the charge transfer resistance of anode and greatly extend the lifespan of cells with >2400 cycles at a 2 C rate, which is much better than that of baseline and single additive based electrolytes with <1000 cycles. Further mechanistic studies revealed that proper sulfurized and phosphatized species are involved in the SEI film, which stabilizes lithium carbonate in the middle of SEI to avoid being attacked by Lewis acids. Multiple additive strategies optimize the interfacial structure and provide valuable guidance for the development of safe fast‐charging engineering.
Comprehensive Coverage on Anti‐mycobacterial Endeavour Reported in 2021
Authors: Dhameliya Tejas M. , Devani Aanal A. , Patel Krupa A. , Shah Kashvi C.
Published: May 2022

Tuberculosis (TB) has been the highly contagious airborne disease caused by Mycobacterium tuberculosis and the major leading infectious disease with the higher upsurge of morbidity and mortality. Owing to problems in the current regimen for TB and emergence of drug resistance strains, there is a strong necessity for development of new anti‐TB drugs with better efficacy, reduced duration of action, along with improved patient compliance. Towards this, the scaffolds reported in 2021 with anti‐tubercular activity such as benzofuran, benzothiazinone, benzimidazoles, indole, piperidine, piperazine, pyrazole, pyridine, pyrimidine, pyrrolidine, quinoxaline, triazole, etc. have been critically reviewed along with their structure‐activity relationships, mode of actions with anticipations of intuitions to design the newer anti‐mycobacterial scaffolds.
Determination of blood group antigens using electrophoresis of erythrocytes incubated with specific antibodies
Authors: Berest Volodimir Petrovich , Borikov Olexiy Yuriyovich , Kravchun Pavlo Grigorievich , Leontieva Frida Solomonivna , Dielievska Valentyna Yuriivna
Published: May 2022

There is a need for specific determination of blood group antigens on erythrocytes for improvement of the quality of hemotransfusion therapy. O, A, B, AB, and weak variants of A and B antigen (O washed erythrocytes with anti‐A or anti‐B antibody absorbing ability) were investigated for electrophoretic mobility with immunoglobulin G complement‐dependent antibodies. The contact of anti‐A heated serum and complement with A erythrocytes resulted in their decreased electrokinetic potential the contrary to the serum without anti‐A and anti‐B antibodies and increased after addition of the serum from O blood group person with anti‐A and anti‐B absorbing ability. Anti‐B heated serum with complement decreased electrokinetic potential of B erythrocytes. Whereas both anti‐A heated serum and serum from AB person with complement did not decrease the electrokinetic potential of O erythrocytes. Anti‐B heated serum, in the same manner, decreased the electrokinetic potential of O blood group erythrocytes with anti‐B absorbing ability. Anti‐А immunoglobulin G complement‐dependent antibodies decreased the electrokinetic potential of washed O erythrocytes with аnti‐A absorbing ability contrary to immunoglobulin M antibodies. Evaluation of the electrokinetic potential of erythrocytes with a set of immunoglobulin G complement‐dependent antibodies might be considered for blood group type detection.
Study of shear‐thickening and shear‐thinning behavior in rheology of self‐compacting concrete with micro‐nano bubble
Authors: Yahyaei Behnaz , Asadollahfardi Gholamreza , Salehi Amir Masoud , Esmaeili Negar
Published: May 2022

This research investigated the effect of using micro‐nano bubbles and superplasticizers on the rheology of self‐compacting concrete (SCC). Eight mix designs were made with different values of 4–5.5 kg/m3 of superplasticizer. For comparison, half of the mix designs were made with micro‐nano bubbles, and the rest were made with tap water. Flowability, passing ability, and rheological tests were performed on all mixed designs. The results show that an increased rate of superplasticizer from 4 to 5 kg/m3 improved flowability and passing ability in all specimens. The yield stress and plastic viscosity of SCC reduction were higher in samples made with micro‐nano bubbles. The shear‐thickening behavior was observed in SCC samples produced with tap water and the superplasticizer, and the c/μ (positive) ratio increased. While in SCC with micro‐nano bubbles, the shear‐thinning behavior was observed, and the c/μ (negative) ratio increased with increasing the superplasticizer dose.
Water‐ and air‐filled pore networks and transport parameters under drying and wetting processes
Authors: Hamamoto Shoichiro , Ohko Yushi , Ohtake Yutaka , Moldrup Per , Nishimura Taku
Published: May 2022

The connectivity and tortuosity of fluid‐filled pore networks in the water and air phases strongly influence the mass transport in porous media. Moisture conditions (water content and distribution) alter water‐ or air‐filled pore networks. In this study, using a sand column with variable saturated conditions, water‐ and air‐filled pore networks were analyzed using X‐ray computed tomography (CT). Water and air transport parameters, including hydraulic conductivity, gas diffusion coefficient, and air permeability, were measured. The objectives were (a) to identify the effects of entrapped air on the water‐filled pore network and hydraulic conductivity and (b) to understand the water‐ and air‐filled pore networks and relevant transport parameters in the sand column during the drying and wetting processes. Measurements of hydraulic conductivity using quasisaturated samples showed that hydraulic conductivity was drastically reduced when smaller in situ air bubbles were present inside the sand column. At the same air‐filled porosity, higher gas diffusivity and air permeability were obtained under wetting than those during drying. X‐ray CT image analysis revealed that the air‐filled pore network connectivity during wetting was higher than that during drying, resulting in enhanced gas transport parameters during the wetting process. The observed differences in water‐ and air‐filled pore networks during drying and wetting processes are highly promising for future multiphase mass transport models in soils.
Predicting wildfire induced changes to runoff: A review and synthesis of modeling approaches
Authors: Partington Daniel , Thyer Mark , Shanafield Margaret , McInerney David , Westra Seth , Maier Holger , Simmons Craig , Croke Barry , Jakeman Anthony John , Gupta Hoshin , Kavetski Dmitri
Published: May 2022

Wildfires elicit a diversity of hydrological changes, impacting processes that drive both water quantity and quality. As wildfires increase in frequency and severity, there is a need to assess the implications for the hydrological response. Wildfire‐related hydrological changes operate at three distinct timescales: the immediate fire aftermath, the recovery phase, and long‐term across multiple cycles of wildfire and regrowth. Different dominant processes operate at each timescale. Consequentially, models used to predict wildfire impacts need an explicit representation of different processes, depending on modeling objectives and wildfire impact timescale. We summarize existing data‐driven, conceptual, and physically based models used to assess wildfire impacts on runoff, identifying the dominant assumptions, process representations, timescales, and key limitations of each model type. Given the substantial observed and projected changes to wildfire regimes and associated hydrological impacts, it is likely that physically based models will become increasingly important. This is due to their capacity both to simulate simultaneous changes to multiple processes, and their use of physical and biological principles to support extrapolation beyond the historical record. Yet benefits of physically based models are moderated by their higher data requirements and lower computational speed. We argue that advances in predicting hydrological impacts from wildfire will come through combining these physically based models with new computationally faster conceptual and reduced‐order models. The aim is to combine the strengths and overcome weaknesses of the different model types, enabling simulations of critical water resources scenarios representing wildfire‐induced changes to runoff.

This article is categorized under:

Water and Life > Conservation, Management, and Awareness

Science of Water > Hydrological Processes

Science of Water > Water and Environmental Change
Simulation of charging of PCM within a duct containing nanoparticles
Authors: Zhang Juan , Wang Fuzhang , Rothan Yahya Ali , Nofal Taher A. , Selim Mahmoud M.
Published: May 2022

With the involvement of sinusoidal containers of phase change material (PCM) inside the duct, new configuration for the ventilation system has been achieved in the current paper. Mixture of TiO2 and RT25 was assumed as PCM, and the temperature of domain is fixed at 25°C at the start of the process. Owing to the radiation of the sun, air becomes warmer up to 35°C and with entering the air into the domain with Re = 6000, the melting process starts. The cold air at the outlet section can be utilized for ventilating the room. Homogeneous model for NEPCM and K‐ɛ approach for turbulent air flow has been incorporated. ANSYS FLUENT was applied for simulating this unsteady mechanism, and verification of the model was done according to previous experimental work. To control the air gap among tanks, the factor “b” was utilized and the influence of the fraction of titanium oxide (ϕ) was analyzed in results. As nano‐sized material has been added, more heat can be received to RT25 and the completed process can be reached in lower time. With considering the highest “b,” as nano‐sized material, the required time reduces from 20,672 to 19705 s. When ϕ = 0, growth of b leads to a reduction of time of about 42.57%.
Diskurslinguistische framebezogene Analyse
Authors: Geursen Elisabeth
Published: May 2022

In Kapitel 5 werden die einzelnen Analyseschritte auf der Grundlage der praktischen Handlungsanweisungen für eine Diskursanalyse nach Konerding (2005, 2007) sowie die daraus abgeleiteten Analysekategorien mit den entsprechenden Ergebnissen aus der Korpusanalyse der Unternehmens- und Medientexte exemplarisch präsentiert. Unternehmens- und Medientexte bieten wichtige Diskursbeiträge, deren sprachliche Aushandlungen – explizit oder unterhalb der Textoberfläche – Begriffsbesetzungen des Untersuchungsthemas abbilden. Die Analyse stellt über die sprachlichen Phänomene des Nachhaltigkeitsbegriffs im Personalmanagement die thematische Entfaltung sowie die entsprechenden konzeptuellen Vorstellungen und Umsetzungsstrategien der am Diskurs beteiligten Akteure dar. Im Zusammenhang mit den Begriffskonzeptualisierungen wird methodengeleitet eruiert und systematisch aufgezeigt, welche Akteure bzw. Akteursgruppen in den Unternehmens- und Medientexten thematisch werden. Es wird dargestellt, wodurch sich ihr Handeln auszeichnet und welche akteursspezifischen Forderungen sich daraus für die zukünftige nachhaltige Entwicklung im Personalmanagement abzeichnen lassen, insbesondere hinsichtlich der praktischen Umsetzung von Handlungsempfehlungen. Dabei wurden 13.621 Kodierungen in den Unternehmenstexten und 9.183 Kodierungen in den Medientexten vorgenommen, was die Wichtigkeit des Nachhaltigkeitsthemas für die Unternehmen und Öffentlichkeit belegt. Die untersuchungsrelevanten Schwerpunktthemen Frauenförderung, Kampf um Talente und Führungsstil werden ausführlich beleuchtet und in Relation zum Matrixframe Zustand gesetzt.
Transfer matrices for AdS3/CFT2
Authors: Seibold Fiona K. , Sfondrini Alessandro
Published: May 2022

Abstract

We work out the algebraic Bethe ansatz for the worldsheet theory of the AdS3× S3× T4 superstring, and use it to derive the transfer matrices for fundamental particles and bound states of the string and mirror model. We also show how the Bethe equations and transfer matrices are modified in the presence of an Abelian twist. These will be an important ingredient in the exploration of the mirror thermodynamic Bethe ansatz equations recently proposed by Frolov and Sfondrini, and their generalisation to twisted and deformed models.
Notfallsituationen und Krankenhauszuweisungen in Pflegeeinrichtungen – ein Scoping-Review zu Begleitumständen und versorgungsrelevanten Maßnahmen
Authors: Bretschneider Carsten , Poeck Juliane , Freytag Antje , Günther Andreas , Schneider Nils , Schwabe Sven , Bleidorn Jutta
Published: May 2022

Hintergrund

Pflegeheimbewohner:innen werden häufiger hospitalisiert als nicht institutionalisierte Gleichaltrige. Eine Vielzahl an Rettungsdiensteinsätzen und Krankenhauszuweisungen wird als potenziell vermeidbar eingeordnet.

Ziele der Arbeit

Zuweisungsbegünstigende Begleitumstände bei Notfallsituationen in Pflegeeinrichtungen sowie Ansätze zur Reduktion von Krankenhauszuweisungen sollen identifiziert werden, um die Komplexität der Versorgungsprozesse und Handlungsperspektiven aufzuzeigen.

Material und Methoden

Scoping-Review mit Analyse aktueller Original- und Übersichtsarbeiten (2015–2020) in den Datenbanken PubMed, CINAHL sowie per Handsuche.

Ergebnisse

Aus 2486 identifizierten Studien wurden 302 Studien eingeschlossen. Verletzungen, Frakturen, kardiovaskuläre und respiratorische Erkrankungen sowie Infektionskrankheiten sind die häufigsten retrospektiv erfassten Diagnosegruppen. Hinsichtlich der einweisungsbegünstigenden Umstände konnten verschiedene Aspekte identifiziert werden: bewohnerbezogene (z. B. Multimorbidität, fehlende Patientenverfügungen), einrichtungsbezogene (u. a. Personalfluktuation, Unsicherheiten), arztbezogene (z. B. mangelnde Erreichbarkeit, erschwerter Zugang zu Fachärzt:innen) und systembedingte (z. B. eingeschränkte Möglichkeiten zur Diagnostik und Behandlung in Einrichtungen). Verschiedene Ansätze zur Verminderung von Krankenhauszuweisungen sind in Erprobung.

Diskussion

Vielfältige Begleitumstände beeinflussen das Vorgehen in Notfallsituationen in Pflegeeinrichtungen. Interventionen zur Reduktion von Krankenhauszuweisungen adressieren daher u. a. die Stärkung der Kompetenz des Pflegepersonals, die interprofessionelle Kommunikation und systemische Ansätze. Ein umfassendes Verständnis der komplexen Versorgungsprozesse ist die wesentliche Grundlage für die Entwicklung und Implementierung effektiver Interventionen.
Gegenwartsmoment, Transformationsprozess und Deutungstechnik
Authors: Plassmann Reinhard
Published: May 2022

Die moderne Emotionsforschung hat es ermöglicht, die Organisation seelischer Wachstums- und Transformationsprozesse und infolgedessen auch die Behandlungstechnik an vielen Stellen neu zu konzipieren. Die Arbeit fasst zunächst die Position der traditionellen und der modernen Emotionsforschung zusammen und beschreibt dann, wie auf dieser Basis ein neues Verständnis möglich wird, wie sich das Selbst in einem von Emotionen organisierten Prozess bildet und sich lebenslang im Selbstprozess weiterentwickelt. Hierfür wird der Begriff der Selbst-Emotion eingeführt. Der zweite Teil der Arbeit stellt dar, wie und auf welchen Wegen Emotionen im Gegenwartsmoment der Stunde zugänglich werden, wie unregulierte Emotionen seelische Störungen hervorrufen, und welche Deutungstechniken (Prozessdeutungen, Plassmann 2016a) sich in der klinischen Arbeit mit dem emotionalen Kern von Erkrankungen bewähren.
Untersuchungen zu Baufeldspannweiten in geklüftetem Gebirge
Authors: Brandner Nikolaus
Published: May 2022

Bestehende Berechnungsmodelle zur Abschätzung von Baufeldspannweiten im untertägigen Bergbau sind zumeist für bestimmte Gebirgssituationen ausgelegt. Für den Gebirgstypus, der hinsichtlich seines Verhaltens zwischen dem massiven und geklüfteten Gebirge liegt, sind bestehende Berechnungsansätze nur bedingt anwendbar. Es wird daher ein numerisches Balkenmodell erstellt, welches Aufschlüsse über mögliche Baufeldspannweiten für diesen Gebirgstypus geben soll. Eine grundlegende Parameterstudie soll aufzeigen, wie und wie schwerwiegend sich einzelne Einflussparameter auf die Baufeldstabilität und das Bruchverhalten auswirken. Hierfür werden Balkendruckversuche simuliert, wobei die Materialparameter, Trennflächenparameter sowie die Geometrie variiert und untersucht werden.
Geometrically nonlinear analysis and vibration of in-plane-loaded variable angle tow composite plates and shells
Authors: Pagani A. , Azzara R. , Carrera E.
Published: May 2022

This work intends to present a novel numerical approach for studying the vibration behaviours of variable angle tow (VAT) composite structures in their quasi-static nonlinear equilibrium states. This methodology is able to predict the buckling load, to investigate the natural frequencies variation for progressively higher loads, and to provide a means for verifying experimental Vibration Correlation Technique results. The use of VAT composites, in which the fibre orientations are allowed to vary along with a curvilinear pattern within each lamina, dramatically increases the design space and provides a significant improvement in buckling performance and benefits in the postbuckling regime. This study has been performed using an innovative methodology based on the well-established Carrera Unified Formulation able to describe several kinematic models for two-dimensional structures. In detail, layerwise theories are employed to characterize the complex phenomena that may appear in VAT composite structures. All Green-Lagrange strain components are employed because far nonlinear regimes are investigated. Furthermore, the geometrical nonlinear equations are written in a total Lagrangian framework and solved with an opportune Newton–Raphson method along with a path-following approach based on the arc-length constraint. Different VAT composite structures have been analyzed to validate the proposed approach and provide some benchmark solutions. The computed equilibrium paths are compared with results obtained using the commercial code ABAQUS. The results document the good accuracy and reliability of the presented methodology and show this numerical tool’s potentialities.
A rank subdivision of equivalent score for enhancing neuropsychological test norms
Authors: Facchin Alessio , Rizzi Ezia , Vezzoli Michela
Published: May 2022

Introduction

Neuropsychological assessment of cognitive functioning is a crucial part of clinical care: diagnosis, treatment planning, treatment evaluation, research, and prediction of long-term outcomes. The Equivalent Score (ES) method is used to score numerous neuropsychological tests. The ES0 and the ES4 are defined respectively by the outer tolerance limit and the median. The intermediate ESs are commonly calculated using a z-score approach even when the distribution of neuropsychological data is typically non-parametric. To calculate more accurate ESs, we propose that the intermediate ESs need to be calculated based on a non-parametric rank subdivision of the distribution of the adjusted scores.

Material and methods

We make three simulations to explain the differences between the classical z-score approach, the rank-based approach, and the direct subdivision of the dependent variable.

Results

The results show that the rank procedure permits dividing the region between ES0 and ES4 into three areas with the same density. The z-score procedure is quite similar to the direct subdivision of the dependent variable and different from the rank subdivision.

Conclusions

By subdividing intermediate ESs using the rank-subdivision, neuropsychological tests can be scored more accurately, also considering that the two essential points for diagnosis (ES = 0 and ES = 4) remain the same. Future normative data definition should consider the best procedure for scoring with ES.
The association between bed occupancy rates and hospital quality in the English National Health Service
Authors: Bosque-Mercader Laia , Siciliani Luigi
Published: May 2022

We study whether hospitals that exhibit systematically higher bed occupancy rates are associated with lower quality in England over 2010/11–2017/18. We develop an economic conceptual framework to guide our empirical analysis and run regressions to inform possible policy interventions. First, we run a pooled OLS regression to test if high bed occupancy is associated with, and therefore acts as a signal of, lower quality, which could trigger additional regulation. Second, we test whether this association is explained by exogenous demand–supply factors such as potential demand, and unavoidable costs. Third, we include determinants of bed occupancy (beds, length of stay, and volume) that might be associated with quality directly, rather than indirectly through bed occupancy. Last, we use a within-between random-effects specification to decompose these associations into those due to variations in characteristics between hospitals and variations within hospitals. We find that bed occupancy rates are positively associated with overall and surgical mortality, negatively associated with patient-reported health gains, but not associated with other indicators. These results are robust to controlling for demand–supply shifters, beds, and volume. The associations reduce by 12%-25% after controlling for length of stay in most cases and are explained by variations in bed occupancy between hospitals.
Individual characteristics of students in vocational education moderating the relationship between school engagement and vocational identity
Authors: Keijzer Rineke , van Schooten Erik , van der Rijst Roeland , Admiraal Wilfried
Published: May 2022

In any country, there is a group of students who are at risk of dropping out of school without any qualifications. This is detrimental for many of those students, because failure to graduate increases risks of unemployment and societal exclusion. To reduce this risk, specialized curricula aim to prepare these students for their working life by fostering the development of a vocational identity, that is, how they define themselves as workers. As a prerequisite to achieving this goal, students need to attend school and feel engaged with school. The curricula seek ways to stimulate emotional school engagement, taking into account the heterogeneous target group of students they serve. To address potential consequences of individual differences, this questionnaire study (N=996) conducted in the Netherlands explored how various individual characteristics of students in these specialized curricula moderated the relationship between emotional school engagement and vocational identity. Results show that stronger school engagement always coincided with a stronger vocational identity; however, the strength of the relationship varied. Stimulating emotional school engagement was specifically important for the subgroups of students who are young, less agreeable, less motivated, and less resilient. In order to foster the vocational identity of their students, the specialized curricula are recommended to draw nuanced conclusions and formulate refined strategies to effectively respond to the heterogeneous group of students who are at risk of dropping out.
Spatial and temporal variations in interspecific interaction: impact of a recreational landscape
Authors: Marion Solène , Demšar Urška , Davies Althea L. , Stephens Philip A. , Irvine R. Justin , Long Jed A.
Published: May 2022

Anthropogenic activities, such as outdoor recreation, have the potential to change complex interactions between wildlife and livestock, with further consequences for the management of both animals, the environment, and disease transmission. We present the interaction amongst wildlife, livestock, and outdoor recreationists as a three-way interaction. Little is known about how recreational activities alter the interaction between herbivores in areas extensively used for recreational purposes. We investigate how hiking activity affects spatio-temporal co-occurrence between domestic sheep (Ovis aries) and red deer (Cervus elaphus). We used camera traps to capture the spatio-temporal distribution of red deer and sheep and used the distance from the hiking path as a proxy of hiking activity. We used generalized linear models to investigate the spatial distribution of sheep and deer. We analysed the activity patterns of sheep and deer and then calculated their coefficients of temporal overlap for each camera trap location. We compared these coefficients in relation to the distance from the hiking path. Finally, we used a generalized linear mixed-model to investigate which factors influence the spatio-temporal succession between deer and sheep. We do not find that sheep and red deer spatially avoid each other. The coefficient of temporal overlap varied with distance from the hiking trail, with stronger temporal co-occurrence at greater distances from the hiking trail. Red deer were more likely to be detected further from the path during the day, which increased the temporal overlap with sheep in these areas. This suggests that hiking pressure influences spatio-temporal interactions between sheep and deer, leading to greater temporal overlap in areas further from the hiking path due to red deer spatial avoidance of hikers. This impact of recreationists on the wildlife and livestock interaction can have consequences for the animals’ welfare, the vegetation they graze, their management, and disease transmission.
Enhanced electroactive β-phase formation in electrospun poly (vinylidene fluoride-co-hexafluoropropylene) nanowires with gold nanoparticles
Authors: Zhou Xi , Suo Tao
Published: May 2022

As a representative piezoelectric polymer, poly (vinylidene fluoride-co-hexafluoropropylene) (PVDF-HFP) has been widely used in sensors transducers and actuators. In this paper, gold nanoparticles (AuNPs) are prepared and doped into the PVDF-HFP solution to enhance the piezoelectric property of electrospun PVDF-HFP nanowires. The results indicate that proper amounts of AuNPs within the nanowires can improve the piezoelectric phase in PVDF-HFP. Then, a nanogenerator was prepared using the PVDF-HFP/Au nanowires to verify the increase in piezoelectric performance. Experimental results show that compared with PVDF-HFP nanogenerator without AuNPs doping, the output voltage is increased by about two times, while the output current is doubled for the PVDF-HFP/Au nanogenerator. Furthermore, systematic molecular dynamics (MD) simulations are conducted to elucidate the physical mechanism of AuNPs enhanced β-phase formation in PVDF-HFP. Our results show that the adsorption and electrostatic interaction between the AuNPs and the PVDF chains promote the electroactive β-phase formation, and also significantly increase the tension and poling effect during electrospinning process, which is the origin of the enhanced electroactive phase formation in electrospun PVDF-HFP nanowires.
A tale of four parsers: methodological reflections on diagnostic evaluation and in-depth error analysis for meaning representation parsing
Authors: Buljan Maja , Nivre Joakim , Oepen Stephan , Øvrelid Lilja
Published: May 2022

We discuss methodological choices in diagnostic evaluation and error analysis in meaning representation parsing (MRP), i.e. mapping from natural language utterances to graph-based encodings of semantic structure. We expand on a pilot quantitative study in contrastive diagnostic evaluation, inspired by earlier work in syntactic dependency parsing, and propose a novel methodology for qualitative error analysis. This two-pronged study is performed using a selection of submissions, data, and evaluation tools featured in the 2019 shared task on MRP. Our aim is to devise methods for identifying strengths and weaknesses in different broad families of parsing techniques, as well as investigating the relations between specific parsing approaches, different meaning representation frameworks, and individual linguistic phenomena—by identifying and comparing common error patterns. Our preliminary empirical results suggest that the proposed methodologies can be meaningfully applied to parsing into graph-structured target representations, as a side-effect uncovering hitherto unknown properties of the different systems that can inform future development and cross-fertilization across approaches.