Miracle-dz/UniFAR-FTUs huggingface dataset:
Structural and electronic properties of YH 3 at high pressure – band calculation by the GW approximation

Using the GW calculation for one particle energy of electrons, we studied the pressure dependence of the band gaps in YH 3 for controversial structures reported in experimental and theoretical studies. For some types of band structures, perturbational treatment taking only diagonal matrix elements of the self-energy into account, which is the most commonly used method in the GW calculation, fails to give band gaps. In those cases, calculations in which the non-diagonal matrix elements of the self-energy are taken into account are needed to get the band gaps. In the fcc-YH 3, band gap disappears around 5 GPa which is much lower pressure than those reported in experimental studies for the metallization in YH 3. The band gap by the GW calculation in the C2/m structure, which is theoretically predicted to be most probable up to around 40 GPa, survives to much higher pressures than those predicted by the generalized gradient approximation (GGA), and probably to over 60 GPa. The very recent report of metallization pressure around 70 GPa on the YH 3 metallization by means of DC conductivity measurements suggests that some structures other than the C 2/m should appear as an intermediate structure before the fcc-YH 3 will appear by the pressurization.
A global model for SF6 plasmas coupling reaction kinetics in the gas phase and on the surface of the reactor walls

Gas phase and reactor wall-surface kinetics are coupled in a global model for SF6 plasmas. A complete set of gas phase and surface reactions is formulated. The rate coefficients of the electron impact reactions are based on pertinent cross section data from the literature, which are integrated over a Druyvesteyn electron energy distribution function. The rate coefficients of the surface reactions are adjustable parameters and are calculated by fitting the model to experimental data from an inductively coupled plasma reactor, i.e. F atom density and pressure change after the ignition of the discharge. The model predicts that SF6, F, F2 and SF4 are the dominant neutral species while and F− are the dominant ions. The fit sheds light on the interaction between the gas phase and the reactor walls. A loss mechanism for SFx radicals by deposition of a fluoro-sulfur film on the reactor walls is needed to predict the experimental data. It is found that there is a net production of SF5, F2 and SF6, and a net consumption of F, SF3 and SF4 on the reactor walls. Surface reactions as well as reactions between neutral species in the gas phase are found to be important sources and sinks of the neutral species.
An Asymmetric Genetic Signal Associated with Mechanosensory Expansion in Cave-Adapted Fish

A key challenge in contemporary biology is connecting genotypic variation to phenotypic diversity. Quantitative genetics provides a powerful technique for identifying regions of the genome that covary with phenotypic variation. Here, we present a quantitative trait loci (QTL) analysis of a natural freshwater fish system, Astyanax mexicanus, that harbors two morphs corresponding to a cave and surface fish. Following their divergence ~500 Kya, cavefish have adapted to the extreme pressures of the subterranean biome. As a consequence, cavefish have lost numerous features, but evolved gains for a variety of constructive features including behavior. Prior work found that sensory tissues (neuromasts) present in the “eye orbit” region of the skull associate with sensitivity to vibrations in water. This augmented sensation is believed to facilitate foraging behavior in the complete darkness of a cave, and may impact on evolved lateral swimming preference. To this point, however, it has remained unclear how morphological variation integrates with behavioral variation through heritable factors. Using a QTL approach, we discovered the genetic architecture of neuromasts present in the eye orbit region, demonstrating that this feature is under genetic control. Interestingly, linked loci were asymmetric-signals were detected using only data collected from the right, but not left, side of the face. This finding may explain enhanced sensitivity and/or feedback of water movements mediating a lateral swimming preference. The locus we discovered based on neuromast position maps near established QTL for eye size and a facial bone morphology, raising the intriguing possibility that eye loss, sensory expansion, and the cranial skeleton may be integrated for evolving adaptive behaviors. Thus, this work will further our understanding of the functional consequence of key loci that influence the evolutionary origin of changes impacting morphology, behavior, and adaptation.
Engaging Students in Early Exploration of Nanoscience Topics Using Hands-On Activities and Scanning Tunneling Microscopy.

This manuscript reports on efforts to introduce beginning college students to the modern nanoscience field. These include: implementing selected experiments into sequencing core first-year and second-year chemistry laboratory courses; providing students with a first research experience; and engaging them in service learning and outreach programs where they act as activity presenters. The various projects, emphasizing hands-on learning, have affected a large number of science and engineering students and also thousands of students in grades K–12. The program provides students with experiences working with nanomaterials and using scanning tunneling microscopy. By participating in these projects, students have increased their awareness and knowledge of different areas of nanoscience and improved their attitudes toward chemistry.
DRIVING FACTORS OF COMMUNITY EMPOWERMENT AND DEVELOPMENT THROUGH RENEWABLE ENERGY FOR ELECTRICITY IN INDONESIA

Yogyakarta Special Region (DIY) is one of the provinces in Indonesia which does not have fossil energy potential. Almost all of the energy needs in DIY such as fuel oil (BBM) is supplied from outside the area with increasing use every year. Therefore, this research aims to find out and analyze the driving factors of empowerment and development of rural communities through the development of electrical energy derived from Hybrid Power Plants in Pantai Baru, DIY, Indonesia. Data are analyzed by employing structural equation modeling based partial least square (SEM-PLS). The results reveal that the driving factors of empowerment and development of rural communities are influenced by individual characteristics, environment, and group support.
Mandated and Voluntary Social Distancing during the COVID-19 Epidemic

ABSTRACT:The COVID-19 epidemic upended social and economic life in the United States. To reduce transmission, people altered their mobility and interpersonal contact, and state and local governments acted to induce social distancing through across-the-board policies. The epidemic and the subsequent social distancing response led to high unemployment and to efforts to reopen the economy using more-targeted virus mitigation policies.This paper makes five contributions to studying epidemic policy and mobility. First, we review COVID-19 research on mobility, labor markets, consumer behavior, and health. Second, we sketch a simple model of incentives and constraints facing individuals. Third, we propose a typology of government social distancing policies. Fourth, we review new databases measuring cellular mobility and contact. Fifth, we present regression evidence to help disentangle private versus policy-induced changes in mobility.During the shutdown phase, large declines in mobility occurred before states adopted stay-at-home (SAH) mandates and in states that never adopted them, suggesting that much of the decline was a private response to the risk of infection. Similarly, in the reopening phase mobility increased rapidly, mostly preceding official state reopenings, with policies explaining almost none of the increase.
Effect of Curriculum-Based Video Games on Students' Performance: An Experimental Study

This experimental study investigated the effect of the use of video games based on the curriculum on students' performance levels in Fourth, Fifth and Sixth grade Mathematics compared to traditional learning methods. The participants were seven hundred and eighty-nine female students from Fourth, Fifth and Sixth grades, and nineteen teachers, from different six schools in Riyadh city in Saudi Arabia. Three research null hypotheses were tested to explore students’ performance when they received two different instructional treatments: traditional learning methods (textbooks or worksheets) and a video game based on the Mathematics curriculum. The results indicate that video games based on Mathematics curriculum had a positively effect on students’ performance based on their score average in standard tests, when compared to traditional learning methods.
Effects of the salivary flow rate, pH, viscosity and buffering capacity on dental caries experience in government school children in Bangalore city

Background: The present study was undertaken to evaluate effect of the salivary flow rate, pH, viscosity and buffering capacity on caries experience in government school children. Methods: This case-control study was conducted amongst the Government school children of Bangalore city aged 614 years. A total of 180 school children were selected out of what 90 were selected for the test group based on the presence of one or more active dental caries and another 90 were selected for the control group who were free of dental caries at the time of examination. Saliva samples were collected from all subjects and were estimated for flow rate, pH, viscosity and buffering capacity. Results: Mean salivary flow rate, pH and buffer capacity have been found to be significantly lower and mean salivary viscosity has been found to be significantly higher among children with dental caries. Conclusions: The physical and biochemical properties of saliva, such as salivary flow rate, pH, buffering capacity and viscosity are significantly related with the caries experience in children.
A scalable approximate Bayesian inference for high-dimensional Gaussian processes

Abstract In this paper, we adopt a Bayesian point of view, based on Gaussian processes, for classifying high-dimensional data. Since computing the exact marginal likelihood remains difficult, if not impossible, for discrete likelihoods and high-dimensional inputs, we introduce two different methods to improve the efficiency and the scalability of Gaussian processes for classification: scalable Laplace approximation and scalable expectation propagation, together with an embedding for dimension reduction. The proposed methods are shown to handle multimodal posteriors and improve the prediction quality, jointly. Various numerical tests on simulated and real data provide a comparison with alternative Bayesian and non Bayesian predictors. More particularly, the comparison study confirms that the ability of our proposed methods to estimate the marginal likelihood efficiently yields better predictions, especially for complex tasks.
Effects of selenium and iodine supplementation on the growth rate, mohair production, and thyroid status of Angora goat kids

Abstract The aim of this study was to examine the effect of supplementation with either selenium (Se) or iodine (I), or both, on growth rate, mohair production, and plasma concentrations of thyroid hormones in Angora goat kids. Kids were treated with 0 or 1 intraruminal Se pellet, or treated intramuscularly with iodised oil at doses of 0, 200, or 400 mg I in a 2 × 3 factorial design. The concentrations of Se and I in the lucerne diet were 0.02 and 0.09 mg/kg dry matter (DM), respectively. Supplementary Se enhanced (P < 0.05) liveweight gain by 26% during the final month of the study, however mohair growth was not affected by either treatment. The plasma concentration of total thyroxine was increased (P < 0.001) by I treatment but decreased (P < 0.001) by Se treatment. The plasma concentration of total triiodothyronine was reduced (P < 0.001) by I treatment but unaffected by Se treatment. Thus, Se supplementation improved the liveweight gain of Angora goats but I supplementation had no effect on growth. Bo.
Higher Undercarboxylated to Total Osteocalcin Ratio Is Associated With Reduced Physical Function and Increased 15‐Year Falls‐Related Hospitalizations: The Perth Longitudinal Study of Aging Women

Evidence from animal models suggests that undercarboxylated osteocalcin (ucOC) is involved in muscle mass maintenance and strength. In humans, the ucOC to total (t)OC ratio may be related to muscle strength and perhaps physical function and falls risk, but data are limited. We tested the hypothesis that ucOC and ucOC/tOC ratio are associated with muscle function (muscle strength and physical function) in older women and 15‐year falls‐related hospitalizations. Serum tOC and ucOC were assessed in 1261 older women (mean age 75.2 ± 2.7 years) forming the Perth Longitudinal Study of Aging Women (1998 to 2013). Timed‐up‐and‐go (TUG) and grip strength were assessed at baseline and at 5 years. Falls‐related hospitalizations (14.5‐year follow‐up) were captured by the Hospital Morbidity Data Collection, via the Western Australian Data Linkage System. At baseline, women with higher ucOC/tOC ratio (quartile 4) had slower TUG performance compared with quartile 1 (~0.68 seconds, p < .01). Grip strength and 5‐year change of TUG and grip were not different (p > .05) between quartiles. Fear of falling limiting house, outdoor, and combined activities was significantly different across quartiles (p < .05). Higher ucOC/tOC was significantly associated with poorer TUG performance at baseline and 5‐year change in performance, increased walking aid use, and fear of falling (all p < .05). Higher ucOC was related to lower grip strength at baseline (p < .05) but not 5‐year change in strength. Those with the highest ucOC/tOC had greater falls‐related hospitalizations (unadjusted log rank, p = .004) remaining significant after adjusting for key variables (hazard ratio [HR] = 1.31, 95% confidence interval [CI] 1.09–1.57, p = .004). We identified a large proportion of older women with high ucOC/tOC ratio who had reduced physical function, including its long‐term decline and increased risk of falls‐related hospitalizations. Early identification of women at higher risk can enable prevention and intervention strategies to occur, reducing risk for injurious falls. © 2020 American Society for Bone and Mineral Research (ASBMR).
Oxidative Processes Occurring When Pulsed High Voltage Discharges Degrade Phenol in Aqueous Solution

In this investigation, results obtained using a pulsed discharge for organic compound removal are presented. The degradation of phenol by a streamer corona discharge and spark discharge, the effects of hydrogen peroxide additive on removal efficiency, and photochemical oxidation by ultraviolet light from the discharge plasma channel were investigated. The intermediate products and final byproducts formed by the spark discharge were also studied. A preliminary study of the degradation mechanism inside and outside the plasma channel was carried out. It was found that the removal efficiency of organic contaminants in the aqueous solution was higher for the spark discharge than for the streamer corona discharge and was greatly influenced by the discharge type and additive. The energy efficiency was the highest (6.91 × 10-3 μmol/J) for the case with hydrogen peroxide injection and spark discharge. The main intermediate products produced by the spark discharge during the treatment process were hydroquinone, pyr.
Chemical-Physical Characterization of a Binary Mixture of a Twist Bend Nematic Liquid Crystal with a Smectogen

Nematic twist-bend phases (NTB) are new types of nematic liquid crystalline phases with attractive properties for future electro-optic applications. However, most of these states are monotropic or are stable only in a narrow high temperature range. They are often destabilized under moderate cooling, and only a few single compounds have shown to give room temperature NTB phases. Mixtures of twist-bend nematic liquid crystals with simple nematogens have shown to strongly lower the nematic to NTB phase transition temperature. Here, we examined the behaviour of new types of mixtures with the dimeric liquid crystal [4′,4′-(heptane-1,7-diyl)bis(([1′,1″-biphenyl]4″-carbo-nitrile))] (CB7CB). This now well-known twist-bend nematic liquid crystal presents a nematic twist-bend phase below T ≈ 104 °C. Mixtures with other monomeric alkyl or alkoxy -biphenylcarbonitriles liquid crystals that display a smectic A (SmA) phase also strongly reduce this temperature. The most interesting smectogen is 4′-Octyl-4-biphenylcarbonitrile (8CB), for which a long-term metastable NTB phase is found at room and lower temperatures. This paper presents the complete phase diagram of the corresponding binary system and a detailed investigation of its thermal, optical, dielectric, and elastic properties.
Marine ice-sheet experiments with the Community Ice Sheet Model using the MISMIP+ experimental framework. 

<p>Ice sheet models differ in their numerical treatment of dynamical processes. Simulations of marine-based ice are sensitive to the choice of Stokes flow approximation and basal friction law, and to the treatment of stresses and melt rates near the grounding line. We present the effects of these numerical choices on marine ice-sheet dynamics in the Community Ice Sheet Model (CISM). In the experimental framework of the Marine Ice Sheet Model Intercomparison Project (MISMIP+), we compare different treatments of sub-shelf melting near the grounding line. In contrast to recent studies arguing that melting should not be applied in partly grounded cells, it is usually beneficial in CISM simulations to apply some melting in these cells. This suggests that the optimal treatment of melting near the grounding line can depend on ice-sheet geometry, forcing, or model numerics. In the MISMIP+ framework, the ice flow is also sensitive to the choice of basal friction law. To study this sensitivity, we evaluate friction laws that vary the connectivity between the basal hydrological system and the ocean near the grounding line. CISM yields accurate results in steady-state and perturbation experiments at a resolution of &#8764;2 km (arguably 4 km) when the connectivity is low or moderate, and &#8764;1 km (arguably 2 km) when the connectivity is strong. </p>
Computational modeling of AGO-mediated molecular inhibition of ARF6 by miR-145

Inhibition of ADP-ribosylation factor 6 messenger RNA (ARF6 mRNA) by microRNA-145 (miR-145), mediated by Argonaute (AGO) protein, has been found to play essential roles in several types of cancer and cellular processes. This study aimed to model the molecular interaction between miR-145 and ARF6 mRNA with AGO protein. The sequences of miR-145 and the 3’ untranslated region (UTR) of ARF6 mRNA were retrieved from miRTarBase, followed by miRNA target-site and structure predictions were done using RNAhybrid, RNAfold, and simRNAweb, respectively. The interaction between the miRNA-mRNA duplex and AGO was further assessed via molecular docking, interaction analysis, and dynamics, using PatchDock Server, PLIP, and VMD/NAMD, respectively. The models between miR-145, predicted target site of ARF6 mRNA, and AGO protein returned stable thermodynamic variables with negative free energy. Specifically, the RNA duplex had an energy of -19.80 kcal/mol, while the docking had -84.58 atomic contact energy supported by 70 hydrogen bonds and 14 hydrophobic interactions. However, the stability of the RMSD plot was still unclear due to limited computational resources. Nevertheless, these results computationally confirm favorable interaction of the three molecules, which can be utilized for further transcriptomics-based drugs or treatments.
Interaction of waves in one-dimensional dusty gas flow

Abstract The present study uses the theory of weakly nonlinear geometrical acoustics to derive the high-frequency small amplitude asymptotic solution of the one-dimensional quasilinear hyperbolic system of partial differential equations characterizing compressible, unsteady flow with generalized geometry in ideal gas flow with dust particles. The method of multiple time scales is applied to derive the transport equations for the amplitude of resonantly interacting high-frequency waves in a dusty gas. These transport equations are used for the qualitative analysis of nonlinear wave interaction process and self-interaction of nonlinear waves which exist in the system under study. Further, the evolutionary behavior of weak shock waves propagating in ideal gas flow with dust particles is examined here. The progressive wave nature of nonresonant waves terminating into the shock wave and its location is also studied. Further, we analyze the effect of the small solid particles on the propagation of shock wave.
H-mode characterization for dominant ECRH and comparison to dominant NBI and ICRF heating at ASDEX Upgrade

The influence of pure electron heating versus combined electron and ion heating on a high collisionality H-mode plasma has been investigated in ASDEX Upgrade. This was done by replacing both neutral beam injection (NBI) and ion cyclotron resonance frequency (ICRF) heating in small steps with electron cyclotron resonance heating (ECRH) while keeping the total heating power constant. The stability of the global plasma parameters and the response of the kinetic profiles on the changed heating mix and torque input is shown. The differences in edge localized mode behaviour between the different heating mixes is reported. The data were analysed with an interpretative transport model and linear gyrokinetic simulations were performed to evaluate the underlying transport mechanism.
Let’s Get Engaged: The Nexus between Digital Technologies, Engagement and Learning

The nexus between digital technologies, engagement and learning is often cited as being correlational, but is widely misunderstood. Research is clear that engagement can lead to better academic outcomes and improved learning, but less clear about the role of digital technologies in engaging students and the impact of digital technologies on student learning. Recent research suggests that in light of the increase in digital technologies in education that we must recognize the inherent challenges in increased use of digital technologies. In this article a small-scale case study was conducted to ascertain the level of student engagement and distraction during lectures. The study was repeated for two different cohorts of teacher education students to establish consistency of results. The authors sought to determine the level of academic engagement by having students record the number of digital distractions they encountered throughout the lecture. The students self-reported their distractions during a ~100 min lecture. The researchers found consistency between the two cohorts when looking at the number of self-reported distractions per student. The findings suggest that technology was a major distraction and further could be seen, due to the number of distractions, to be causing disengagement. In this article the authors use this case study to start a conversation about the possible perils of digital technologies with regard to engagement and learning and what this means in a future that may be dictated by technology-enhanced learning.