Miracle-dz/UniFAR-FTUs huggingface dataset:
Facile Synthesis of 7-Aryl-benzo[h]tetrazolo[5,1-b]quinazoline-5,6-dione Fused Polycyclic Compounds by Using a Novel Magnetic Polyurethane Catalyst

ABSTRACT Novel Brönsted acid functionalized magnetic polymeric nanocomposite, Ba0.5Sr0. 5Fe12O19@PU-SO3H, has been successfully synthesized and characterized by field-emission scanning electron microscopy (FE-SEM), X-ray diffraction (XRD), vibrating sample magnetometer (VSM), Fourier transform infrared spectroscopy (FT-IR), energy-dispersive X-ray spectroscopy (EDX), transmission electron microscopy (TEM) and thermogravimetric analysis (TGA) techniques. The catalytic activity of the nanocomposite was tested in the regioselective synthesis of 7-aryl-benzo[h]tetrazolo [5,1-b] quinazoline-5,6-diones in an eco-friendly and recyclable media, deep eutectic solvent (DES), based on choline chloride and urea. This novel method offers several advantages, such as high yields, short reaction time, environmentally friendly reaction media, easy isolation of the product, and also offers an easy method for the synthesis of nanocatalysts. The catalyst was readily recycled by the use of an external magnetic field and could be reused 6 times without significant loss of activity or mass. DES as one of the most promising environmentally benign and cost-effective alternatives to conventional ionic liquids and volatile organic solvents was recovered from the aqueous filtrate by evaporating the water under vacuum. The recycled DES was used up to 4 runs without any loss in activity.
Pleural Effusions in Hematologic Diseases – A Narrative Review

Background: Pleural effusions frequently occur in hematologic disorders. The diagnosis of this entity is extremely challenging, as traditional techniques, such as pleural fluid cytology and pleural biopsy, have a low diagnostic yield. In addition, a growing number of evidence suggests that the appearance of a pleural effusion leads to a worse prognosis. The aim of this work is to provide a non-systematic review of haematological pathologies more frequently associated with a pleural effusion, the diagnostic challenges and treatment options. Methodology: This revision work is the result of a critical analysis of the existing literature, carried out by collecting the main bibliographic entries in different languages present in international scientific databases relative to the topic of interest. All the arguments have been elaborated by the authors and critically re-proposed, in a non-systematic way (narrative revision).
Extraction, Isolation and Characterization of Natural Products from Medicinal Plants

Natural Products from medicinal plants either as pure or as a standardized extracts provide unlimited opportunities for new drugs because of the unmatched availability of chemical constituents. Since ancient times, natural products have been utilized to treat and cure chronic diseases like cancer, diabetes, asthma, anti-inflammatory, analgesic and as alternatives for hormone replacement therapy worldwide. According to the World Health Organization (WHO), more than 80% of the world's population relies on traditional medicine for their primary healthcare needs. Despite their widespread existence, the variety of bioactive natural products in natural medicines are not sufficient. Today, it is very crucial to develop effective and selective methods for the extraction and isolation of new natural products. The focus of this review paper is to provide a comprehensive view on the analytical methodologies, which include extraction, isolation and characterization of the natural products from medicinal plants and common phytochemical screening assays.
Using Digital Badges for Developing High School Chemistry Laboratory Skills

Digital badges are emerging as an approach to offer microaccreditation for student achievements obtained in ongoing course work. They act to offer a formal recognition and framework for multiple small components which together make a significant contribution to student learning. Badges are promoted as a way of highlighting these particular components. The process of awarding a badge relies on evidence, typically in digital form, such as video. In this article, we report on the implementation of digital badges in high school chemistry for the teaching and accrediting of achievement in laboratory skills. Pupils watched videos prior to the classroom to assist them in preparation for a demonstration activity. In the classroom, students demonstrated the laboratory technique to a peer while the peer videoed the demonstration on a mobile phone. This video was then used to review the demonstration by both peers and teacher, and once the technique was considered satisfactorily demonstrated, a badge was awarded. As.
Phosphine- and Amine-Borane Dehydrocoupling Using a Three-Coordinate Iron(II) β-Diketiminate Precatalyst

Dehydrocoupling of phosphine- and amine-boranes is reported using an iron(II) β-diketiminate complex. Dehydrocoupling of amine-boranes is far more facile than the phosphine counterpart, the former proceeding at room temperature with 1 mol% iron precatalyst. This low loading is sufficient to allow in situ kinetic analysis and deuterium labeling studies to be carried out. An iron amido-borane complex has also been isolated, which is believed to be the catalyst resting state. Overall, this has allowed us to postulate a catalytic cycle which proceeds via release of diborazane, iron hydride, and iron amido-borane intermediates.
Quantity Competition in C2C Exchange Markets with Strategic Consumers and Dynamic Preferences

This paper develops a methodology for studying quantity competition across an assortment of substitute products in a C2C exchange market. Consumers are differentiated by their preferences for products and maximize surplus given uncertainty in their future preferences. The equilibrium is characterized by a unique price path, which is calculated by recursively solving a series of linear complementarity problems. We explore the interaction between strategic behavior and consumer preference dynamics. Our analysis indicates that strategic behavior incentivizes purchasing behavior based on resale value rather than utility, decreasing market surplus. However, we find that increased uncertainty and homogeneity in preference dynamics impacts prices, which counteracts the negative influence of strategic behavior. In addition to enabling firms to study market surplus, the model offers C2C platform operators a price recommendation tool to increase market efficiency.
HAGGLING ENCOUNTERS IN DHAKA’S LOCAL-SERVICE BUSES: THE UNCHARTED DISCOURSE

In the micro socio-economic set up of Bangladesh haggling has traditionally occupied a central place. It has particularly been significant in the case of buying and selling goods or certain services. While haggling in the purchase and sale of goods is common, it is less so in the case of the purchase and sale of services. One of few instances of haggling in service encounters is in public transport, more specifically in ‘local-service’ buses. Therefore, this particular area of social discourse is an interesting case for research and the present study analyses these haggling exchanges. Through a critical discourse analysis, the research, in the first place, attempts to bring to the fore the strategies of haggling that passengers and conductors usually employ to get a win over the bus fare. The study then seeks to unveil the phenomenon of power vis-à-vis haggling, and afterwards analyses hagglers’ viewpoints. I conclude by offering suggestions for future research.
Is Davos More Than a Boondoggle?

Each year since 1971, the World Economic Forum (WEF) Annual Meeting in Davos, Switzerland, has attracted the leadership of global corporations, governmental and non-governmental organizations, as well as other public figures. However, attending the Davos summit is costly for companies with estimated costs of US$40,000 per delegate. On the one hand, WEF attendance could generate a value added for companies if it generates a business network and buys valuable political support. On the other hand, it could be wasteful in the sense that it generates only private benefits to the attendees themselves without measurable effects for their companies. Our paper is the first to study whether companies draw economic benefits from attending Davos. We introduce a novel database on WEF attendees over the 2009— 2018 period and match it with firm-level data on stock market performance and corporate ratings. We then use fixed-effects estimations and—in a future version of this paper—a synthetic control method to test whether companies present at Davos perform better. Our donor pool of counterfactual companies consists of MSCI-ACWI corporations from the same sector. Our preliminary findings do not provide evidence that the most famous summit of global leaders creates direct value to businesses. JEL Codes: F53, G24, G32, G39, O19
THE NUMERICAL SOLUTION OF THREE STOCHASTIC DIFFERENTIAL GAMES-f

Abstract-In this paper stochastic versions of three differential games, namily: the blocking game[l] (Chap. 6) the game of patrolling channel[l] (Chap. 9) and the collision avoidance game[2] (Chap. 8) are considered. The common factor of these differential games is that all three of them are modelled by the same set of stochastic differential equations. In each of the games; sufficient conditions on optimal strategies in the case of complete observation; and sufficient conditions on weak optimal strategies in the case of partial observations; are derived. In the cases of complete observation, optimal strategies are computed for a variety of cases. In the cases of partial observation, procedures for computing weak suboptimal strategies are suggested, and these are computed for a variety of examples.
Chromatographic And Mass Spectral Analyses Of Oligosaccharides And Indigo Dye Extracted From Cotton Textiles With Manova And Ano

Research was conducted on thirteen 100% cotton denim samples using an acid wash, established by Murray, to extract oligosaccharides from the cellulosic material. The oligosaccharide ion groups ([M+H], [M+NH4], and [M-OH]) for molecules with degrees of polymerization between two and seven (DP2-DP7) were analyzed using liquid chromatography coupled to mass spectrometry with an electrospray ionization interface (LC-ESI-MS). The results were compared using the least-squares means in a Multivariate ANOVA (MANOVA) test followed by Univariate ANOVA and Tukey HSD tests and demonstrated that the method could correctly determine that two samples were statistically different 85.9% of the time when analyzing the amount (ng) of each of the oligosaccharide ion groups separately, and 82.0% when analyzing the total moles of monosaccharide units released. A dye extraction was performed on the denim materials and the extract analyzed using gas chromatography coupled with mass spectrometry (GC-MS). Indigo dye was present in all of the denim samples except one. When these results were combined with the two oligosaccharide statistical analyses, the discriminating power was increased to 88.5% and 85.9%, respectively. Additional cellulosic materials were also investigated including four white 100% cotton t-shirts as well as five raw cotton samples grown in Tajikistan, Uzbekistan, Egypt, Iran, and Benin West Africa. The analytical methodology gave results for the white cotton t-shirts and raw cotton samples that were inconsistent with those obtained from the denim samples.
In vivo assessment of impact of titanium oxide nanoparticle on zebrafish embryo

Technologies and innovations have attended a new height with recent development in nanotechnology in last few decades. With these developments there has a great raise in demand of metal oxides like TiO2, ZnO having versatile physical, chemical and biological application. However the great rise has raised concern over the effect of these nanoparticles in biological system. In this study, we have assessed the impact of titanium oxide nanoparticles synthesized by high energy ball milling (HEBM) by milling bulk TiO2 particles for 15h. The synthesized particles were characterized with XRD, UV-Visible spectroscopy and DLS for their physiochemical properties. Biological impact of these nanoparticles was then studied on zebrafish embryo as invivo model. Mortality and hatching rate were calculated for 48hpf and 96hpf treatment. To determine the mechanism of mortality effect, Reactive oxygen species (ROS) was determined with the help of flow cytometry. 15h nanoparticles were found to have a LC50 of ( ) for zebrafis.
Short-Term Load Forecasting with Missing Data using Dilated Recurrent Attention Networks

Forecasting the dynamics of time-varying systems is essential to maintaining the sustainability of the systems. Recent studies have discovered that Recurrent Neural Networks (RNN) applied in the forecasting tasks outperform conventional models. However, due to the structural limitation of vanilla RNN which holds unit-length internal connections, learning the representation of time series with missing data can be severely biased. We propose Dilated Recurrent Attention Networks (DRAN), a robust architecture against the bias from missing data. This has a stacked structure of multiple RNNs, with each layer leveraging a diﬀerent length of internal connections to incorporate previous information at diﬀerent time scales, and updates its output state by a weighted average of the states in the layers. In order to focus more on speciﬁc layers that carries reliable information against missing data bias, our model leverages attention mechanism which learns the distribution of attention weights among the layers. The proposed model achieves a higher forecast accuracy than conventional ones from two benchmark time series with missing data that include a real-world electricity load dataset.
INFLUENCE OF BASSET HISTORY FORCE ON PREFERENTIAL CONCEN- TRATION OF SMALL PARTICLES AND BUBBLES IN TURBULENCE

Computation of the Basset history force can be very expensive, and hence, in past studies, either the whole part or some fraction of the history has been neglected even in the cases where its contribution may be important. Here the effects of the Basset history force on preferential concentration of small particles in a homogeneous isotropic turbulence under a wide range of the particle-to-fluid mass density ratio (from 0 up to 10000) have been investigated by direct simulations of the Navier-Stokes equations. The Basset force is numerically approximated by the method of van Hinsberg et al. (J. Comput. Phys. 230 (2011) 1465). Compared with the traditional window method where the Basset integral is evaluated only over the latest period of size twin, the method of van Hinsberg that approximates the tail of the Basset force kernel by exponential functions is found to give a better result by using a much shorter (typically, two-order-of-magnitude smaller) twin. It is clearly revealed that the presence of the Basset force weakens the level of preferential concentration to some extent, especially under the conditions of the mass density ratio of around 1.5− 10 for heavy particles and smaller than 0.7 for light particles.
Quality Metrics and Oracles for Autonomous Vehicles Testing

The race for deploying AI-enabled autonomous vehicles (AVs) on public roads is based on the promise that such self-driving cars will be as safe as or safer than human drivers. Numerous techniques have been proposed to test AVs, which however lack oracle definitions that account for the quality of driving, due to the lack of a commonly used set of metrics.Towards filling this gap, we first performed a systematic analysis of the literature concerning the assessment of the quality of driving of human drivers and extracted 126 metrics. Then, we measured the correlation between such metrics and the human perception of driving quality when AVs are driving. Lastly, we performed a study based on mutation analysis to assess whether the 26 metrics that best capture the quality of AV driving according to the human study can be used as functional oracles. Our results, targeting the Udacity platform, indicate that our automated oracles can kill a high proportion of mutants at a zero or very low false alarm rate, and therefore can be used as effective functional oracles for the quality of driving of AVs.
Empirical analysis and evaluation of a metadata scheme for representing pedagogical resources in a digital library for educators

: This paper introduces the Just-in-Time Teaching (JiTT) digital library and describes the pedagogical nature of the resources that make up this library for educators. Because resources in this library are stored in the form of metadata records, the utility of the metadata scheme, its elements and its relationships is central to the ability of the library to address the pedagogical needs of instructors in the work domain of the classroom. The analytic framework provided by cognitive work analysis (CWA) is proposed as an innovative approach for evaluating the effectiveness of the JiTT metadata scheme. CWA is also discussed as an approach to assessing the ability of this extensive networked library to create a common digital environment that fosters cooperation and collaboration among instructors.
Interface Velocity Consistency in time-accurate flow simulations on dynamic meshes

An Interface Velocity Consistency (IVC) condition for compressible flow computations on moving grid is presented, which relates the local interface velocity to the time derivative of the portion of the cell volume pertaining to the interface itself, thus allowing a consistent evaluation of the finite volume integrals of the fluxes at cell interfaces. The IVC condition is demonstrated to be a sufficient condition for fulfilling the well-known Geometric Conservation Law (GCL), which guarantees that a uniform flow is correctly computed by the flow solver. Indeed, the IVC condition generalizes the GCL to possibly nonuniform flows and it amounts to solve an additional system of ODE for the interface velocities together with the ODE system representing the space-discrete flow equations over moving domains. The flow solver is presented in a general form by introducing a suitable transformation matrix that allows for virtually any numerical flux to be readily available within the Arbitrary Lagrangian Eulerian (ALE) framework. The correct treatment of boundary conditions on dynamic meshes is also thoroughly detailed. A simple but effective approach to mesh movement, based on a description of the grid elements as deformable bodies is presented; the new grid at each time step is obtained as the solution of a constrained elastic continuum problem. A suitable treatment of boundary conditions guarantees a high grid quality as the simulation progresses. Both twoand threedimensional cases are thoroughly studied and numerical simulations are presented to investigate the accuracy of the present approach for different time discretization techniques including Backward Differences Formulae (BDF) schemes with nonuniform time-step. Numerical results for a three-dimensional aeroelastic analysis of the Agard 445.6 wing are found to agree fairly well with available experimental data.
Fluorescence properties of p-tert-butyldihomooxacalix[4]arene derivatives and the effect of anion complexation

The intrinsic electronic absorption and fluorescence properties of several multifluorophoric dihomooxacalix[4]arenes are studied. The contributions of phenyl and/or benzyl groups (lower rim) and p-tert-butylphenyl ethers (upper rim) to the absorption and fluorescence are established. Fluorescence titrations were undertaken to investigate the calixarene complexes with nitrate and hydrogen sulfate. A comparison with UV-Vis titrations in the same concentration range showed that similar values for the association constants are obtained by both techniques. Fluorescence is thus demonstrated to be a good method for the determination of calixarene–anion association constants.
The Comparison Of Extraction Method And Solvent Variation On Yield And Antioxidant Activity Of Brassica Oleracea L. Var. Capitata F. Rubra Extract

Red Cabbage (Brassica oleracea L. Var. Capitata f. rubra) has a high anthocyanin content therefore it can be potential as a natural antioxidant. In this research, the antioxidant activity of the red cabbage extract was evaluated quantitatively with a spectroscopy method using DPPH reagent to obtain the value of IC 50 . This research was divided into 2 stages. First, the influence of solvent variant to the extract yield of red cabbage powder and the maximum wavelength (λ) using a maceration protocol. The kind of solvent (70%, 80%, 95%, and 96% of ethanol) with addition 3% of citric acid. Second, the influence of extraction methods in neutral condition to the antioxidant activity. The results show the red cabbage powder maceration with 96% ethanol solvent (acid condition) exhibits the highest yield. The fresh red cabbage soxhletation with 96% ethanol (neutral condition) exhibits 288,5 nm maximum wavelength (λ) and 168,78 mg/mL of IC 50 value.
Activation of Ternary Transition Metal Chalcogenide Basal Planes through Chemical Strain for the Hydrogen Evolution Reaction.

Catalytically inactive basal planes pose challenges for the efficient hydrogen evolution reaction (HER) in two-dimensional (2 D) transition metal chalcogenide (TMC) nanosheets. Herein, a new hybrid structure is reported in which zero-dimensional TMC nanodots (NDs) are decorated on the basal planes of 2 D nanosheets of TMCs to enhance their catalytic activity towards the HER process. A novel process is developed to fabricate a hybrid Cu2 MoS4 (2 D ternary transition metal chalcogenide Cu2 MoS4 nanosheets)/MoSe2 (0 D binary transition metal chalcogenide MoSe2 ND) nanostructure by controlling the size of the MoSe2 NDs to enhance the HER activity. In acidic media, this optimal hybrid Cu2 MoS4 /MoSe2 nanostructure achieves excellent catalytic activity for HER, which exhibits a low overpotential of 166 mV at a current density of 10 mA cm-2 , which corresponds to a Tafel slope of 74.7 mV dec-1 . In addition, the synthesized hybrid nanostructure shows excellent stability when under acidic medium for 16 h of continuous electrolysis. Therefore, it is suggested that our strategy may open a new path for the design of hybrid nanostructures by using ternary transition metal chalcogenides (TTMCs) with binary transition metal chalcogenides (BTMCs) for alternative non-noble metal catalysts towards HER.
Molecular Dynamics Simulation of Liquid Water

The microcanomical ensemble of liquid water was studied by using molecular dynamics simulation at temperatures ranging from 150 to 376K. The structure and the thermodynamic properties were investigated. Flexible water-water interaction potential MCYL was used in the simulation. The effects of temperature on the geonetry of water molecules and on the structure of liquid water were averaged over both the time and space. The analysis of the radial distribution functions shows that there are 2-3 hydrogen bonds formed for each water molecule, and the molecule in liquid form acts both as donor and receptor. The studies on the vibrational spectra indicate that network structure of water at lower temperature mingt turn into the small chuster structure as temperature goes higher.