Miracle-dz/UniFAR-FTUs huggingface dataset:
Interpolated potential energy surface and reaction dynamics for O(3P)+H3+(1A1′) and OH+(3Σ−)+H2(1Σg+)

An ab initio potential energy surface for the triplet state of OH3+ has been constructed at the MP2/6-311G(2d,p) level of theory. Classical simulations of the title collisions have been carried out to evaluate the rate coefficients for three reactions, including H3++O→H2O++H. Examination of the singlet-triplet energy gap across the triplet surface has shown no evidence for significant surface crossing effects on the dynamics.
Isoelectronic oxygen in II‐VI semiconductors

The properties of isoelectronic oxygen in II‐VI semiconductors were studied by photoluminescence measurements. It was found that oxygen in CdTe, CdS, and ZnS can act as an acceptor as well as in ZnSe, and that the acceptor levels of oxygen in CdTe, CdSe, and ZnS are shallower than those of typical acceptors such as Na. Charge transfer from the host lattice to the oxygen atom may play an important role in oxygen acting as an acceptor. Based on the charge‐transfer model, it can be qualitatively interpreted that there are two roles of oxygen in II‐VI compounds: acting as an acceptor or as a trap, and that they are classified by the ionicity of the compound. We also now understand better the chemical trend of the oxygen‐acceptor levels becoming more shallow compared to the typical acceptors.
Highly flexible, tailorable and all-solid-state supercapacitors from carbon nanotube–MnOx composite films

Carbon nanotube (CNT) films are promising materials for constructing highly flexible composites for supercapacitor electrodes. Here, we prepared composite films with a sandwich structure and outstanding electrochemical properties by electrodepositing manganese oxide (MnOx) on the flexible CNT macrofilms. All-solid-state supercapacitors were then fabricated from the CNT–MnOx composite films using poly(vinylalcohol)–potassium hydroxide as the gel electrolyte. The supercapacitors have a high performance with a specific capacitance of 73.4 F g−1 and an energy density of 6.2 W h kg−1. The supercapacitors also exhibit high flexibility and stability under bending and kneading. When cut into small parts, the supercapacitor fragments can still work independently. The highly flexible and tailorable supercapacitors have great potential in flexible electronics in the future.
"A Ground Water Resources Study of a Pacific Ocean Atoll ? Tarawa, Gilbert Islands"

: The geology and fresh ground water lens development in a typical Pacific atoll are described together with a method for hydrogeological investigation. The fresh water resources of such lenses are investigated using Tarawa as an example. It is shown that simple steady state solutions cannot be realistically applied, and that despite the paucity of hydrogeological data, which is considered typical of such islands, practical nonsteady state solutions allow resource assessments. The susceptability of lens resources to drought conditions is demonstrated.
Changes in nitrogen and chlorophyll density and leaf area of Sweet Basil (Ocimum basilicum L.) affected by biofertilizer and nitrogen application.

Management of fertilizer was successful major factor in the planting of medicinal plant and in between identification of consistence fertilizers viability to environment and suitable for plant can be desired effects on the quantity and quality plant indexes. In order to study of chemical and bio-fertilizer effects on Sweet Basil (Ocimum basilicum L.) was experiment in the year 2010 in green house of Tabriz University. Two kinds of fertilizer (chemical and biological) at four levels (control (T1), chemical fertilizer (T2), biological fertilizer (T3) and combination of chemical and biological fertilizers (T4)) and two landraces of basil (Tabriz and Mazandaran) were evaluated. Experiment was factorial based on randomized complete block design in three replications. Biological fertilizer treatment was inoculated in the time of implanting and chemical fertilizer was used in the time of germination and setting. Results of experiment was suggested that use biofertilizer chlorophyll (a) and (b) concentration was increased significantly (2.929 mg/g.f.w.t) and (1.788 mg/g.f.w.t) respectively and the highest value of leaf area (233.5 cm2) and nitrogen density (4.84%) obtained in biofertilizer treatment. According to results high correlation was toward chlorophyll b density with chlorophyll a density (r = 0.99**) and nitrogen density (r = 0.92**). The results showed that biofertilizer can be raised as an alternative chemical fertilizer in Sweet Basil. Also positive relations was shown between percent nitrogen with leaf area, chlorophyll a and b density, that with increased percent nitrogen increases leaf area and chlorophyll a and b density. Also because of conversion chlorophyll b to chlorophyll a, decreases chlorophyll b density ratio to chlorophyll density. * Corresponding Author: Samane Bakhshande Larimi  sb_farming@yahoo.com International Journal of Biosciences | IJB | ISSN: 2220-6655 (Print) 2222-5234 (Online) http://www.innspub. net Vol. 5, No. 9, p. 256-265, 2014
Automatic Contextual Facilitation in Readers of Three Ages.

WEST, RICHARD F. , and STANOVICH, KEITH E. Automatic Contextual Facilitation in Readers of Three Ages. CHILD DEVELOPMENT, 1978, 49, 717-727. Fourth graders, sixth graders, and adults read words preceded by either a congruous, incongruous, or no-sentence context. Congruous contexts facilitated the reading times of all 3 groups. Incongruous contexts slowed the responses of the fourth and sixth graders, but not those of the adults. The same subjects completed another task, using similar materials, in which they had to name the color of the target word. The results of this and another control task indicated that context effects are mediated, at least in part, by automatic processes. However, the relative importance of these automatic contextual processes appears to decrease with age and reading ability as automatic word-recognition processes become more dominant.
The Melting Reaction Mechanism of NaOH in Decomposing Ca2SiO4

The solid Ca2SiO4 is synthesized through solid-state reaction using analytical reagent CaSiO3 and CaO as raw materials. The conditions of melting reaction between Ca2SiO4 and NaOH are optimized through an orthogonal experimental method. The optimized experimental conditions are a reaction temperature of 873 K, a reaction time of 180 min, and an alkali to ore ratio of 6:1. Based on the optimized conditions, in situ detection for the melting reaction process between the Ca2SiO4 and NaOH is made by Raman spectroscopy analysis. Furthermore, an X-ray diffraction (XRD) and infrared spectrometer (IR) analysis are used to test the residue, which is separated from the post-reaction Ca2SiO4--NaOH melt after water leaching. The results show that the Si-O bond in the SiO44− is destroyed, and the Na+ inserts itself into the silicate lattice to produce an intermediate product, Na2CaSiO4, in the process of reaction. After the alkali melting reaction, Ca2+ can be fully separated from the SiO44− array structure and react with OH− in Ca2SiO4--NaOH melt to form Ca (OH)2.
A Comparison of In Situ Analytical Methods for Trace Element Measurement in Gold Samples from Various South African Gold Deposits

Trace element concentrations in gold grains from various geological units in South Africa were measured in situ by field emission‐electron probe microanalysis (FE‐EPMA), laser ablation‐inductively coupled plasma‐mass spectrometry (LA‐ICP‐MS) and synchrotron micro X‐ray fluorescence spectroscopy (SR‐μ‐XRF). This study assesses the accuracy, precision and detection limits of these mostly non‐destructive analytical methods using certified reference materials and discusses their application in natural sample measurement. FE‐EPMA point analyses yielded reproducible and discernible concentrations for Au and trace concentrations of S, Cu, Ti, Hg, Fe and Ni, with detection limits well below the actual concentrations in the gold. LA‐ICP‐MS analyses required larger gold particles (> 60 μm) to avoid contamination during measurement. Elements that measured above detection limits included Ag, Cu, Ti, Fe, Pt, Pd, Mn, Cr, Ni, Sn, Hg, Pb, As and Te, which can be used for geochemical characterisation and gold fingerprinting. Although LA‐ICP‐MS measurements had lower detection limits, precision was lower than FE‐EPMA and SR‐μ‐XRF. The higher variability in absolute values measured by LA‐ICP‐MS, possibly due to micro‐inclusions, had to be critically assessed. Non‐destructive point analyses of gold alloys by SR‐μ‐XRF revealed Ag, Fe, Cu, Ni, Pb, Ti, Sb, U, Cr, Co, As, Y and Zr in the various gold samples. Detection limits were mostly lower than those for elements measured by FE‐EPMA, but higher than those for elements measured by LA‐ICP‐MS.
On the Temporal Dynamics of Tool Use

We humans have a proclivity for materiality as evidenced by our ability to use and make tools or build constructions. Over generations, this proclivity has led to considerably modify the surface of the Earth, a phenomenon known as cumulative technological culture (Osiurak and Reynaud, 2020). This is a fact: we are nowadays surrounded by artifacts (defined here as tools made for a specific purpose). In this context, the epistemological belief can emerge that humans have become mere manipulators, much more concerned with how to manipulate artifacts to make them work than to understand how they work (Osiurak et al., 2020). At a neurocognitive level, this belief has led to the hypothesis that the human brain has developed adaptive mechanisms enabling the selection and planning of the appropriate motor actions1 to manipulate artifacts (Heilman et al., 1982; Rothi et al., 1991; Buxbaum, 2001; van Elk et al., 2014). Thus, when we see an artifact, we might automatically activate not only the motor representation of how to grasp it (so-called structural affordance; e.g., a power grip to grasp and move a hammer from one location to another) but also the motor representation of how to use it in a functional way2 (so-called functional affordance; e.g., a power grip and a broad oscillation of the elbow joint to grasp and use a hammer to pound a nail; Buxbaum and Kalénine, 2010; Thill et al., 2013; see also Bach et al., 2014; Kourtis and Vingerhoets, 2015; Kourtis et al., 2018). This is the automatic activation hypothesis of functional affordances3. In this Opinion article, we question the theoretical and empirical validity of the strong
Six-Week Exercise Training With Dietary Restriction Improves Central Hemodynamics Associated With Altered Gut Microbiota in Adolescents With Obesity

Purpose Obesity in children and in adolescents can lead to adult cardiovascular diseases, and the gut microbiota plays a crucial role in obesity pathophysiology. Exercise and diet interventions are typical approaches to improve physical condition and to alter the gut microbiota in individuals with obesity. However, whether central hemodynamic parameters including subendocardial viability ratio, the augmentation index standardized to a heart rate of 75/min (AIx75), resting heart rate, and blood pressure, correlate with gut microbiota changes associated with exercise and diet is unclear. Methods Adolescents (n = 24, 12.88 ± 0.41 years) with obesity completed our 6-week program of endurance and strength exercises along with dietary restriction. Blood and fecal samples were collected, and physical parameters were measured before and 24 h after the last session of the intervention program. Pulse wave analysis using applanation tonometry provided the subendocardial viability ratio, a surrogate measure of microvascular myocardial perfusion, and AIx75, a measure of arterial stiffness and peripheral arteriolar resistance. Correlation analysis detected any associations of anthropometric or central hemodynamic parameters with gut microbiome composition. Results Exercise and diet interventions significantly reduced body weight, body mass index, body fat, and waist-to-hip ratio, and lowered levels of fasting blood glucose, serum triglycerides, and high-density lipoprotein cholesterol. AIx75 and resting heart rate were also significantly reduced after the intervention without changes to systolic or diastolic blood pressure. The ratio of intestinal microbiota Firmicutes to Bacteroidetes displayed a marked increase after intervention. Interventional changes in gut microbiota members were significantly associated with anthropometric and metabolic parameters. Microbial changes were also significantly correlated with central hemodynamic parameters, including subendocardial viability ratio, AIx75, and resting heart rate. Conclusion Exercise and diet interventions significantly improved measures of central hemodynamics, including subendocardial viability ratio, AIx75, and resting heart rate, which were correlated with altered gut microbiota in adolescents with obesity. Our findings shed light on the effects and mechanisms underlying exercise and diet interventions on obesity and suggest this approach for treating patients with both cardiovascular disease and obesity.
Analysis of Cyclin-Dependent Kinase 1 as an Independent Prognostic Factor for Gastric Cancer Based on Statistical Methods

Objective The aim of this study was to investigate the expression of cyclin-dependent kinase 1 (CDK1) in gastric cancer (GC), evaluate its relationship with the clinicopathological features and prognosis of GC, and analyze the advantage of CDK1 as a potential independent prognostic factor for GC. Methods The Cancer Genome Atlas (TCGA) data and corresponding clinical features of GC were collected. First, the aim gene was selected by combining five topological analysis methods, where the gene expression in paracancerous and GC tissues was analyzed by Limma package and Wilcox test. Second, the correlation between gene expression and clinical features was analyzed by logistic regression. Finally, the survival analysis was carried out by using the Kaplan–Meier. The gene prognostic value was evaluated by univariate and multivariate Cox analyses, and the gene potential biological function was explored by gene set enrichment analysis (GSEA). Results CDK1 was selected as one of the most important genes associated with GC. The expression level of CDK1 in GC tissues was significantly higher than that in paracancerous tissues, which was significantly correlated with pathological stage and grade. The survival rate of the CDK1 high expression group was significantly lower than that of the low expression group. CDK1 expression was significantly correlated with overall survival (OS). CDK1 expression was mainly involved in prostate cancer, small cell lung cancer, and GC and was enriched in the WNT signaling pathway and T cell receptor signaling pathway. Conclusion CDK1 may serve as an independent prognostic factor for GC. It is also expected to be a new target for molecular targeted therapy of GC.
Temporal Trends and Outcomes of Percutaneous and Surgical Aortic Valve Replacement in Patients With Atrial Fibrillation

Objectives: The aim of this study was to evaluate the temporal trends of transcatheter aortic valve replacement (TAVR) in severe aortic stenosis (AS) patients with atrial fibrillation (AF) and to compare the in-hospital outcomes between TAVR and surgical aortic valve replacement (SAVR) in patients with AF. Background: Data comparing TAVR to SAVR in severe AS patients with AF are lacking. Methods: National inpatient sample database in the United States from 2012 to 2016 were queried to identify hospitalizations for severe aortic stenosis patients with AF who underwent isolated aortic valve replacement. A propensity score-matched analysis was used to compare in-hospital outcomes for TAVR vs. SAVR for AS patients with AF. Results: The analysis included 278,455 hospitalizations, of which 124,910 (44.9%) were comorbid with AF. Before matching, TAVR had higher in-hospital mortality than SAVR (3.1 vs. 2.2%, p < 0.001); however, there was a declining trend during the study period (Ptrend < 0.001). After matching, TAVR and SAVR had similar in-hospital mortality (2.9 vs. 2.9%, p < 0.001) and stroke. TAVR was associated with lower rates of acute kidney injury, new dialysis, cardiac complications, acquired pneumonia, sepsis, mechanical ventilation, tracheostomy, non-routine discharge, and shorter length of stay; however, TAVR was associated with more pacemaker implantation and higher cost. Of the patients receiving TAVR, the presence of AF was associated with an increased rate of complications and increased medical resource usage compared to those without AF. Conclusions: In-hospital mortality and stroke for TAVR and SAVR in AF, AS are similar; however, the in-hospital mortality in TAVR AF is declining and associated with more favorable in-hospital outcomes.
Is There Association Between Stress and Bruxism? A Systematic Review and Meta-Analysis

This systematic review and meta-analysis aimed to investigate a possible association between stress and bruxism in humans. This study was conducted according to Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) guidelines under the code CRD42020188862, and the searches were performed on the following databases: PubMed, Scopus, Web of Science, Cochrane, LILACS, OpenGrey, and Google Scholar. This systematic review evaluated observational studies in adult humans with and without stress to verify the association between bruxism and the presence of stress. The risk of bias was evaluated through the Joanna Briggs Institute Critical Appraisal Tools for Analytical Cross-Sectional Studies. In quantitative analysis, the Odds Ratio (OR) and their 95% confidence interval (CI) were calculated through a fixed-effect model. Furthermore, a summary of the overall strength of evidence was presented using the Grading of Recommendations, Assessment, Development, and Evaluation (GRADE). A total of 1,458 studies were identified, and six were included in this systematic review. Two studies included were classified with a low risk of bias, and the others were classified with a moderate risk of bias. In three articles, a meta-analysis was performed and showed an association between these two factors (OR 2.07 [1.51, 2.83], p < 0.00001, I2 = 45%). Besides that, a low certainty of the evidence was detected among this association. Stressed individuals show a higher chance of presenting bruxism when compared to healthy individuals. Despite the low heterogeneity found in the quantitative analysis among the articles reporting an association between stress and bruxism, further studies with similar methods are necessary to understand this relationship better.
Using the VIA Classification to Advance a Psychological Science of Virtue

The VIA Classification of Character Strengths and Virtue has received substantial attention since its inception as a model of 24 dimensions of positive human functioning, but less so as a potential contributor to a psychological science on the nature of virtue. The current paper presents an overview of how this classification could serve to advance the science of virtue. Specifically, we summarize previous research on the dimensional versus categorical characterization of virtue, and on the identification of cardinal virtues. We give particular attention to the three-dimensional model of cardinal virtues that includes moral, self-regulatory, and intellectual domains. We also discuss the possibility that these three clusters be treated as fundamental elements of a virtue model, meaning that they clearly and directly contribute to both individual and communal flourishing across various cultures. This discussion includes a summary of previous speculations about the evolution of adaptations underlying the human capacity for using behavioral repertoires associated with the three virtues, as well as discussing ways in which they simultaneously enhance community and individual, in the last case focusing particularly on evidence concerning mating potential. We then discuss the relationship between the evolutionary perspective on virtues and Aristotle’s concept of the reciprocity of the virtues. Finally, we provide speculations about the nature of practical wisdom. While accepting the potential value of future revisions to the VIA model, that model even under its current conditions has the potential to generate a number of intriguing and testable hypotheses about the nature of virtue.
Where Did All the Sport Go? Negative Impact of COVID-19 Lockdown on Life-Spheres and Mental Health of Spanish Young Athletes

During the 2020, the pandemic caused by the massive spread of the SARS-CoV-2 coronavirus (COVID-19) resulted in a global crisis. In Spain, the COVID-19 pandemic caused a lockdown for almost 100 days and forced the sudden stop of sport practices and competitions. This interruption had a negative impact on high-level athletes’ mental health. However, its impact on young athletes, who are intrinsically developing a high-demanding dual career, remains unclear. Therefore, this study aimed at (1) describing and characterizing the general impact that COVID-19 lockdown had on Spanish young athletes’ life-spheres and mental health, and (2) identifying different profiles of athletes regarding life-conditions and sport-related variables. A sample of 544 young athletes (M = 15.9; SD = 1.51) participated in this study. Measures included life-conditions and sport-related information along with the Holistic Monitoring Questionnaire (HMQ) and the General Health Questionnaire (GHQ-12). After the screening and description of the data, profiles were defined using a two-level cluster analysis using HMQ and GHQ-12 subscales. We explored differences in demographic and sports information between profiles using MANOVA and subsequent ANOVA. Results suggest a general negative impact of COVID-19 on young athletes’ life-spheres and mental health, but with three different clusters regarding the degree of such impact. Cluster 1 grouped the 54.78% of the sample and exhibited a low negative impact of COVID-19 lockdown on life-spheres and few mental health issues. Cluster 2 grouped a 29.96% of the participants who reported a medium negative impact on life-spheres and moderate mental health issues. Cluster 3 represented 15.26% of the sample including participants who showed a high negative impact of the COVID-19 lockdown with high mental health issues. The paradigmatic participant in this third group would be a female student-athlete from a medium or low socioeconomic status with high academic demands and poor or inexistent training conditions during lockdown. Current findings emphasize the need to pay attention to young athletes’ mental health and suggest possible influencing contextual variables. We suggest some applied recommendations aimed at helping clubs and sports institutions to mitigate the negative effects of such difficult circumstances on athletes’ mental health.