Miracle-dz/UniFAR-FTUs huggingface dataset:
Higher-Order Interaction Goes Neural: A Substructure Assembling Graph Attention Network for Graph Classification

Graph classification has been widely used for knowledge discovery in numerous practical application scenarios, such as social networks and protein-protein interaction networks. Recently, Graph Neural Networks (GNNs), which generalize deep neural networks to graph-structured data, have drawn considerable attention and achieved state-of-the-art performance in graph classification. However, existing GNN models mainly focus on capturing the information of immediate or first-order neighboring nodes within a single layer. The graph substructure and substructure interaction, which plays an important role in learning graph representations, are usually overlooked. In this paper, we propose a Substructure Assembling Graph Attention Network (SA-GAT) to extract graph features and improve the performance of graph classification. SA-GAT is able to fully explore higher-order substructure information hidden in graphs by a core module called Substructure Interaction Attention (SIA), which takes both the information of neighbors’ substructures and the interaction information among them into account during aggregation process. Theoretically, we have also proved that SA-GAT satisfies the graph isomorphism theory of graph neural network design, which is that the network should map isomorphic graphs to the same representation and output the same prediction. Extensive experimental results on multiple real-world graph classification datasets demonstrate that the proposed SA-GAT outperforms the state-of-the-art methods including graph kernels and graph neural networks.
Green human resource management, perceived green organizational support and their effects on hotel employees’ behavioral outcomes

Purpose This paper aims to propose a research model that explores perceived green organizational support (OS) as a mediator of the effect of green human resource management (GHRM) on job performance (JP) and organizational citizenship behavior toward the organization (OCB-O). Design/methodology/approach This paper used data obtained from small- and medium-sized hotels in Palestine. The associations given above were tested using structural equation modeling. Findings The findings reveal that GHRM boosts hotel employees’ perceptions of green OS. That is, the effective implementation of GHRM is a sign of perceived green OS. Congruent with the study predictions, employees’ perceptions of green OS activate their JP and OCB-O. Finally, perceived green OS mediates the impact of GHRM on JP and OCB-O. Practical implications Management should take advantage of green human resource practices to acquire and retain talented employees whose environmental goals and values fit those of the company. Employees should be involved in problem-solving on environmental sustainability and green management. They should also participate in continuous training programs and enhance their awareness of environmental sustainability and green management. Originality/value There is a lack of evidence appertaining to the effects of GHRM and perceived green OS on non-green positive workplace performance outcomes. More importantly, there is a scarcity of evidence about the mechanism linking GHRM to these performance outcomes.
Development of interfacial velocity correlation for benchmarking porous media based three-dimensional code for steam generator with a square rod array

ABSTRACT A steam generator is one of the essential components in Pressurized Water Reactors. One of its critical design issues is to prevent heat transfer tube damage caused by corrosion and flow-induced vibration. When designing a U-tube bundle of steam generators, a thermal hydraulic simulation code is used to predict velocity and density distribution along tubes, especially porous-media-based code, from the viewpoint of computational cost. The code first calculates a control-volume-averaged velocity. A mass conservation equation converts it to the area-averaged mixture volumetric flux at the smallest gap between two tubes. Then, the area-averaged mixture volumetric flux is converted to the local interfacial velocity at the center of the sub-channel using an interfacial velocity correlation. Comparison between measured and calculated interfacial velocities ensures the validity of the simulation code. The validation process for the code requires an interfacial velocity correlation. This study shows the newly developed interfacial velocity correlation applicable to two-phase flow in a tube bundle with a square array. The prediction uncertainty of the correlation is +6.7% (bias) ± 24.2% (random error). The correlation based on an analytical equation suggests that the correlation has good scalability to apply to a wide range of flow and geometrical parameters.
Competitiveness of Industrial Companies Forming the Value Chain of Wind Energy Components: The Case of Lithuania

Sustainable energy development has attracted attention worldwide, partly because of the value chain of the wind energy industry that focuses on the overall value creation and innovation. In order to achieve not only ambitious goals in the fight against climate change, but also to create significant economic benefits for European Union citizens, it is necessary to ensure the production of renewable energy components in Europe itself and in Lithuania at the same time. This paper aims to evaluate the competitiveness of Lithuanian companies that manufacture wind energy components. The research was conducted applying methods such as a survey of manufacturers of wind energy components, expert assessment and descriptive analysis. The results of the competitiveness assessment revealed that the existing conditions and trends are favourable for the development of their performance and strengthening of their competitiveness. The government solutions to promote industry could facilitate the performance of companies operating in the value chain of wind energy components and encourage new companies to join it. This would encourage the Lithuanian industry to expand its participation in the value chain of the European Union’s renewable energy industry, create more jobs, and increase the added value.
A First-Principles Study on Na and O Adsorption Behaviors on Mo (110) Surface

Molybdenum-rhenium alloys are usually used as the wall materials for high-temperature heat pipes using liquid sodium as heat-transfer medium. The corrosion of Mo in liquid Na is a key challenge for heat pipes. In addition, oxygen impurity also plays an important role in affecting the alloy resistance to Na liquid. In this article, the adsorption and diffusion behaviors of Na atom on Mo (110) surface are theoretically studied using first-principles approach, and the effects of alloy Re and impurity O atoms are investigated. The result shows that the Re alloy atom can strengthen the attractive interactions between Na/O and the Mo substrate, and the existence of Na or O atom on the Mo surface can slower down the Na diffusion by increasing diffusion barrier. The surface vacancy formation energy is also calculated. For the Mo (110) surface, the Na/O co-adsorption can lead to a low vacancy formation energy of 0.47 eV, which indicates the dissolution of Mo is a potential corrosion mechanism in the liquid Na environment with O impurities. It is worth noting that Re substitution atom can protect the Mo surface by increasing the vacancy formation energy to 1.06 eV.
User recommendation in online health communities using adapted matrix factorization

PurposeOnline health communities (OHCs) are platforms that help health consumers to communicate with each other and obtain social support for better healthcare outcomes. However, it is usually difficult for community members to efficiently find appropriate peers for social support exchange due to the tremendous volume of users and their generated content. Most of the existing user recommendation systems fail to effectively utilize the rich social information in social media, which can lead to unsatisfactory recommendation performance. The purpose of this study is to propose a novel user recommendation method for OHCs to fill this research gap.Design/methodology/approachThis study proposed a user recommendation method that utilized the adapted matrix factorization (MF) model. The implicit user behavior networks and the user influence relationship (UIR) network were constructed using the various social information found in OHCs, including user-generated content (UGC), user profiles and user interaction records. An experiment was conducted to evaluate the effectiveness of the proposed approach based on a dataset collected from a famous online health community.FindingsThe experimental results demonstrated that the proposed method outperformed all baseline models in user recommendation using the collected dataset. The incorporation of social information from OHCs can significantly improve the performance of the proposed recommender system.Practical implicationsThis study can help users build valuable social connections efficiently, enhance communication among community members, and potentially contribute to the sustainable prosperity of OHCs.Originality/valueThis study introduces the construction of the UIR network in OHCs by integrating various social information. The conventional MF model is adapted by integrating the constructed UIR network for user recommendation.
Lipase-Catalyzed Kinetic Resolution of Dimethyl and Dibutyl 1-Butyryloxy-1-carboxymethylphosphonates

The main objective of this study is the enantioselective synthesis of carboxyhydroxyphosphonates by lipase-catalyzed reactions. For this purpose, racemic dimethyl and dibutyl 1-butyryloxy-1-carboxymethylphosphonates were synthesized and hydrolyzed, using a wide spectrum of commercially available lipases from different sources (e.g., fungi and bacteria). The best hydrolysis results of dimethyl 1-butyryloxy-1-carboxymethylphosphonate were obtained with the use of lipases from Candida rugosa, Candida antarctica, and Aspergillus niger, leading to optically active dimethyl 1-carboxy-1-hydroxymethylphosphonate (58%–98% enantiomeric excess) with high enantiomeric ratio (reaching up to 126). However, in the case of hydrolysis of dibutyl 1-butyryloxy-1-carboxymethylphosphonate, the best results were obtained by lipases from Burkholderia cepacia and Termomyces lanuginosus, leading to optically active dibutyl 1-carboxy-1-hydroxymethylphosphonate (66%–68% enantiomeric excess) with moderate enantiomeric ratio (reaching up to 8.6). The absolute configuration of the products after biotransformation was also determined. In most cases, lipases hydrolyzed (R) enantiomers of both compounds.
Comprehensive Assessment of Current Management Strategies for Patients With Diabetes and Chronic Limb-Threatening Ischemia

Chronic limb-threatening ischemia (CLTI) is the most severe form of peripheral artery disease. It is estimated that 60% of all nontraumatic lower-extremity amputations performed annually in the United States are in patients with diabetes and CLTI. The consequences of this condition are extraordinary, with substantial patient morbidity and mortality and high socioeconomic costs. Strategies that optimize the success of arterial revascularization in this unique patient population can have a substantial public health impact and improve patient outcomes. This article provides an up-to-date comprehensive assessment of management strategies for patients afflicted by both diabetes and CLTI.
Influence of Intrinsic Impedance on the Phase of Propagation Pulse Through Biologic Tissue

The aim of this study is to examine the influence of the variation of the intrinsic impedance on the phase of a Gaussian pulse during propagation through a biological tissue. This paper describes a method for varying the intrinsic impedance while retaining the characteristics of the propagation medium. The propagation medium is considered as the superposition of four semi-infinite layers each characterized by their thickness, their conductivity, and their dielectric constant. These last parameters, on which the intrinsic impedance depends, are functions of the pulsation of the medium. In this work, we will test the continuity of the phase shift of the signal at the level of interfaces of biological layers with respect to that of the starting point as the function of the excitation pulsation. Next, we are going to vary the intrinsic. Next, we examine the influence of the variation of the intrinsic impedance at the interface on the phase shift of the signal at that level. We will adopt the Finite Difference Time Domain (FDTD) method to simulate the propagation of a Gaussian pulse. This method which is validated in previous work showed robustness to obtained signals very close to the reality at the interfaces. For these two tests, we will notice that the variation of intrinsic impedance has no influence on the variation of the phase at the interfaces.
Mobility of Small Molecules in Solid Polymer Film for π-Stacked Crystallization

Crystallization or π-stacked aggregation of small molecules is an extensively observed phenomenon which favors charge transport along the crystal axis and is important for the design of organic optoelectronic devices. Such a process has been reported for N,N’-Bis(1-ethylpropyl)-3,4,9,10-perylenebis(dicarboximide) (EPPTC). However, the π-stacking mechanism requires solution–air or solution–solid interfaces. The crystallization or aggregation of molecules doped in solid films is generally thought to be impossible, since the solid environment surrounding the small molecules does not allow them to aggregate together into π-stacked crystals. In this work, we demonstrate that the movement of the EPPTC molecules becomes possible in a solid polymer film when it is heated to above the glass transition temperature of the polymer. Thus, crystal particles can be produced as a doped matrix in a thin solid film. The crystallization process is found to be strongly dependent on the annealing temperature and the annealing time. Both the microscopic and spectroscopic evaluations verify such discoveries and characterize the related properties of these crystals.
Mycorrhizal symbiosis and phosphorus supply determine interactions among plants with contrasting nutrient‐acquisition strategies

Highly diverse plant communities growing on nutrient‐impoverished soils are test beds for theories on species coexistence. Here, neighbouring mycorrhizal and non‐mycorrhizal plants compete for limited phosphorus. The impact of below‐ground interactions on community dynamics is underexplored. We used an experimental approach to investigate effects of inoculation with arbuscular mycorrhizal (AM) fungi and a phosphorus supply gradient on competitive and facilitative interactions among mixed assemblages of woody plants in microcosms. The plant species, one cluster root‐forming (CR) species and four AM species, are native to jarrah forest that grows on nutrient‐impoverished soils in south‐western Australia. We measured plant growth in microcosms, with and without inoculation with the AM fungus Rhizophagus irregularis, and across a gradient of P supply: 0, 9, 27 and 243 mg P per kg of soil. Our data show evidence of plant–plant facilitation at low P supply and competition at high P supply. Growth of the CR species, Hakea undulata, was highest in microcosms with 0P and without AM inoculation. One AM species, Bossiaea aquifolium, also performed better at lower P levels, possibly benefitting from P mobilised by H. undulata. The other three AM species, one strongly obligates, performed better at higher P levels. Data for Acacia celastrifolia suggested it was facultatively mycotropic, and because there was no correlation between AM colonisation and the relative inoculum effect, we suggest positive effects of AM inoculation at 9P might be due to benefits other than P acquisition, such as pathogen defence. Benefit of AM inoculation diminished for three of four mycorrhizal species at the highest P level as we had predicted. The fourth species, Eucalyptus marginata (jarrah), had higher growth in microcosms that were not inoculated with AM, perhaps because the species benefits more from ectomycorrhizas. Synthesis. Our experimental data suggest spatial heterogeneity of soil P, coupled with a diversity of nutrient‐acquisition strategies, and plasticity among plant–plant and plant–AM fungi interactions, contributes to plant species coexistence in the nutrient‐impoverished jarrah forest. Our research highlights the importance of below‐ground mechanisms for understanding factors determining community structure including a potential role of AM fungi in plant pathogen defence.
Is Online Theatre Really Theatre?: Teaching and Researching During a Pandemic

Abstract At the beginning of the 2020 pandemic, I grew concerned and also curious about how theatre educators would transition theatre and drama instruction to an online platform. I began a research study interviewing theatre artists while they shifted their formerly in-person summer camps to virtual spaces. One of those instructors, Flannery, was initially hesitant to accept online learning, but through her experiences teaching camps and our conversations, she came to embrace Zoom, an online platform, for its strengths. Through this exploration, I, too, grew more confident that online platforms during this time could be an effective teaching, learning, and performance tool for theatre.
Water-Centric Nexus Approach for the Agriculture and Forest Sectors in Response to Climate Change in the Korean Peninsula

Climate change has inherent multidisciplinary characteristics, and predicting the future of a single field of work has a limit. Therefore, this study proposes a water-centric nexus approach for the agriculture and forest sectors for improving the response to climate change in the Korean Peninsula. Two spatial models, i.e., Environmental Policy Integrated Climate and Integrated Valuation of Ecosystem Services and Tradeoffs, were used to assess the extent of changes in agricultural water demand, forest water supply, and their balance at the watershed level in the current and future climatic conditions. Climate changed has increased the agricultural water demand and forest water supply significantly in all future scenarios and periods. Comparing the results with RCP8.5 2070s and the baseline, the agricultural water demand and forest water supply increased by 35% and 28%, respectively. Water balance assessment at the main watershed level in the Korean Peninsula revealed that although most scenarios of the future water supply increases offset the demand growth, a risk to water balance exists in case of a low forest ratio or smaller watershed. For instance, the western plains, which are the granary regions of South and North Korea, indicate a higher risk than other areas. These results show that the land-use balance can be an essential factor in a water-centric adaptation to climate change. Ultimately, the water-centric nexus approach can make synergies by overcoming increasing water demands attributable to climate change.
Structural, morphological, and electrochemical properties of AB5 hydrogen storage alloy by mechanical alloying

Mechanical alloying (MA) is one of the most promising methods in the development of intermetallic alloys and their scientific research. In this paper, elemental powder mixtures of Ca, Ni, and Mn of nominal composition CaNi5‐xMnx (with x = 0.3, 0.5, and 1) were elaborated by MA technique during different milling times (2–60 h). Structural, morphological, and electrochemical changes were investigated by X‐ray diffraction (XRD), scanning electron microscopy, and Ec‐Lab galvanostat, respectively. The XRD test indicated that each alloy has Ni and CaNi3 or CaNi5 phases. In addition, the particle size of the ground powders is decreased with increasing milling time. Furthermore, all alloys have a very high activation capacity, whereby the activation capacity can be fully realized during the first cycle. The results showed that the most significant value of discharge capacity for all alloys was 40 h.
Biological Treatments in Inflammatory Bowel Disease: A Complex Mix of Mechanisms and Actions

Inflammatory bowel disease (IBD) is a chronic disease that requires lifelong medication and whose incidence is increasing over the world. There is currently no cure for IBD, and the current therapeutic objective is to control the inflammatory process. Approximately one third of treated patients do not respond to treatment and refractoriness to treatment is common. Therefore, pharmacological treatments, such as monoclonal antibodies, are urgently needed, and new treatment guidelines are regularly published. Due to the extremely important current role of biologics in the therapy of IBD, herein we have briefly reviewed the main biological treatments currently available. In addition, we have focused on the mechanisms of action of the most relevant groups of biological agents in IBD therapy, which are not completely clear but are undoubtfully important for understanding both their therapeutic efficacy and the adverse side effects they may have. Further studies are necessary to better understand the action mechanism of these drugs, which will in turn help us to understand how to improve their efficacy and safety. These studies will hopefully pave the path for a personalized medicine.
The Anaesthetic Management of a Parturient with an Ebstein Anomaly and Prior Bidirectional Glenn Shunt

Parturients with Ebstein anomaly are an anaesthetic challenge due to the spectrum of disease. Patients palliated with bidirectional Glenn shunts are susceptible to right heart dysfunction due to the physiological changes during parturition. We present a 28-year-old primigravida with Ebstein anomaly surgically managed by a bidirectional Glenn shunt. Echocardiograms showed normal right ventricular function despite reported dyspnea as the pregnancy progressed. Following a comprehensive plan developed during multidisciplinary prenatal meetings, she safely delivered. In this case report, we discuss the preoperative evaluation, management of labour and delivery, and postpartum planning of parturients with palliated Ebstein anomaly.