Miracle-dz/UniFAR-FTUs huggingface dataset:
Impact of crystal structure on electron-phonon coupling and phonon-mediated properties, The

The impact of crystal structure on electron-phonon coupling (EPC) was analyzed by computing (i) the electron-phonon mediated superconductivity and (ii) electron-phonon induced eigenenergy renormalizations. Our primary goal is to compare these EPC effects in a wide range of materials with various crystal symmetries and compositions in order to reveal the connection between EPC and crystal structure. First-principles calculations were done employing the density functional theory (DFT) and the density functional perturbation theory (DFPT) within the linear-response approach, for obtaining electron-phonon matrix elements, which were then used in post-processing codes to calculate superconductivity and electronic structure renormalization. The Migdal-Eliashberg formalism and the McMillan equations were used to determine the electron-phonon coupling strength (λ) and the critical temperature (Tc) for sodium (Na) under high pressures. A thorough investigation was performed of superconductivity in Na from ambient pressure to 260 GPa, where the metal-to-insulator transition occurs, and at 15.5 terapascals (TPa), after Na reenters a metallic phase. We evaluated phonon dispersions and the superconducting parameters for body-centered cubic (bcc), fcc, cI16, tI19, and cI24 Na. Our results for the bcc and fcc phases are consistent with prior theory, and the previously unknown critical temperatures and electron-phonon coupling strengths were calculated for the cI16, tI19, and cI24 phases. The peak value of λ, between 0 and 30 TPa, was calculated to be 0.5 for cI16-Na. However, as superconductivity is associated with λ ≥ 1, we conclude that Na is not likely to present scientifically interesting superconductivity, even at ultrahigh pressures, despite favorable comparisons to structurally similar superconducting alkali metals. The second EPC-induced phenomenon we examined is the electronic structure renormalization. Calculations and careful convergence tests were carried out for two silicon (Si)
Potentially Mobilizable Geogenic As and Sb in an Agricultural Wetland Soil

The mobility of arsenic (As) and antimony (Sb) in soils is controlled by several processes (adsorption/desorption, (co)precipitation/dissolution and oxidation/reduction), depending on various environmental factors that are often convoluted and site-dependent. This study investigated: (i) the content and solid-phase distribution of geogenic As and Sb in a vertical soil profile (0–130 cm) of an agricultural wetland subject into alternating oxic and anoxic conditions induced by periodic waterlogging and (ii) identifies the stability of the As and Sb host phases during soil reduction (laboratory incubation) using a sequential extraction procedure (fractions: loosely and strongly adsorbed, carbonates, easily reducible, reducible, oxidable and residual). The field results showed that, in the deeper, permanently water-saturated soil layers (<60 cm), the amounts of As and Sb were relatively low (As: 8 ± 2 µg·g−1 and Sb: 0.9 ± 0.2 µg·g−1) and related to the Fe content. In the periodically flooded upper soil layers (0–40 cm), the amounts of As and Sb were higher compared to the deeper layers (As: 36 ± 3 µg·g−1 and Sb: 1.14 ± 0.05 µg·g−1). The observed enrichment towards the surface was attributed to the higher content of organic matter (for Sb) and metalloids distribution among the easily reducible fraction (for As). The anoxic laboratory incubation of periodically waterlogged soil showed that, during soil reduction, As is largely mobilized from the easily reducible fraction and undergoes partial readsorption. Unlike As, Sb displayed a higher affinity for more stable soil components (e.g., reducible and residual fractions), which highlights its limited mobility in periodically waterlogged soil compared to As. The potentially mobilizable As and Sb estimated as the sum of the acetate-exchangeable, P-exchangeable, easily reducible and H2O2-organic fractions represent up to 83%, 69% and 53% of the total As and up to 53%, 44% and 54% of the total Sb at 0–20-cm, 40–60-cm and 90–110-cm depths, respectively. Thus, unpolluted soils may act as sources of As and Sb to aquatic environments and therefore have negative consequence on the downstream water quality.
The role of servant leadership, self-efficacy, high performance work systems, and work engagement in increasing service-oriented behavior

ABSTRACT By integrating job demand-resources and social learning theories, the mediation effects of work engagement between servant leadership and service-oriented behavior; and moderating effects of self-efficacy and high-performance work systems (HPWS) on the connection between servant leadership and work engagement were examined. Partial least squares was applied to analyze survey data of 381 customer-contact hotel employees from three cities in Cambodia. Servant leaders have a positive and significant influence on employee-level service-oriented behavior directly and indirectly via work engagement. Both HPWS and self-efficacy significantly and positively moderates the association of servant leadership and work engagement. Overall, findings indicated the importance of servant leadership, engaged employees, HPWS, and self-efficacy in fostering service-oriented behavior. The novelty of this study is the extension of job demand-resources and social learning theories by investigating the mediating role of work engagement and the combined moderating role of HPWS and self-efficacy. Practical and theoretical implications are described. 通过整合工作需求资源和社会学习理论, 研究了工作投入在服务型领导和服务型行为之间的中介作用; 此外, 还考察了自我效能感和高绩效工作系统(HPWS)对仆人领导与工作投入之间关系的调节作用. 偏最小二乘法用于分析柬埔寨三个城市381名顾客接触酒店员工的调查数据. 服务型领导通过工作投入直接或间接地对员工层面的服务导向行为产生积极而显著的影响. HPWS和自我效能感显著且积极地调节了仆人领导和工作投入的关联. 总的来说, 研究结果表明了仆人领导, 敬业的员工, HPW和自我效能感在培养服务导向行为方面的重要性. 本研究的创新之处在于通过调查工作投入的中介作用以及HPWS和自我效能感的联合调节作用,扩展了工作需求学习描述. 了实了实际和理论意义
Belonging and participation as portrayed in the curriculum guidelines of five European countries

ABSTRACT This study seeks to explore how the belonging and participation, as well as its related concepts, are framed in the national curriculum guidelines of the Netherlands, Finland, Iceland, Norway, and Sweden. We employed a scoping study with concept-mapping methodology. The results reveal macro level principles related to human rights and values, multiliteracy and language, policy measures and ideologies. Meso level principles stressed that education is supposed to guarantee a child’s overall development and skills acquisition, participation involvement in the activities related to a child’s environment and cultural heritage. The micro level principles were indicative of the need for inclusive and accessible physical and social environments, along with teaching methods which foster positive attitudes about diversity and teachers’ expertise levels to address diversity. We also found the importance of designing opportunities that encourage socializing, building relationships, and belongingness. Additionally, the results show how frequently the chosen key concepts are represented in the guidelines. Based on our study we can conclude that curriculum guidelines do not provide sufficent frameworks for promoting children’s belonging and participation. Further exploration on those concepts is needed, along with increased scholarly attention within the spheres of ECEC and compulsory education practice to enable inclusion for all children.
Safety and Toxicity Issues of Therapeutically Used Nanoparticles from the Oral Route

The emerging science of nanotechnology sparked a research attention in its potential benefits in comparison to the conventional materials used. Oral products prepared via nanoparticles (NPs) have garnered great interest worldwide. They are used commonly to incorporate nutrients and provide antimicrobial activity. Formulation into NPs can offer opportunities for targeted drug delivery, improve drug stability in the harsh environment of the gastrointestinal (GI) tract, increase drug solubility and bioavailability, and provide sustained release in the GI tract. However, some issues like the management of toxicity and safe handling of NPs are still debated and should be well concerned before their application in oral preparations. This article will help the reader to understand safety issues of NPs in oral drug delivery and provides some recommendations to the use of NPs in the drug industry.
Does high investment lead to high efficiency in Chinese Super League clubs?

ABSTRACT The cost of operating Chinese football clubs has increased, prompting the need to examine their operating efficiency. Hence, this study proposes an integrated approach to analyse the efficiency of Chinese Super League (CSL) football clubs from 2014 to 2019. We used data envelopment analysis (DEA) model with three dimensions of output indicators and a bootstrap DEA model to find that CSL clubs, particularly high-input clubs, have low efficiency. These results are robust to other alternative estimation methods. Further research revealed that the scale of CSL club inputs is negatively correlated with operating efficiency, with low scale efficiency acting as a major impediment to the growth of CSL clubs. The comprehensive evaluation model proposed in this study provides an in-depth analysis of the overall efficiency of football clubs and helps managers evaluate and provide feedback based on the realities of the market.
Potential application of Thermomyces lanuginosus lipase (TLL) immobilized on nonporous polystyrene particles

The crescent demand for biocatalyst application, associated with the production costs and the need to reduce the dependence for the fossil fuels combined with waste recovery, which could be used as an alternative to resources, increased the interests for the enzyme immobilization. In this work, low‐cost nonporous polystyrene (PS) particles were studied as a support to Thermomyces Lanuginosus lipase (NS‐40116) immobilization. The results showed that immobilized lipase on PS matrix showed better thermal and pH stability when compared to soluble NS‐40116 lipase, with an increase of 84% in the hydrolytic activity at pH 12. Kinetic constants showed that immobilization process increased enzyme specificity by the substrate. In addition, immobilized lipase on PS matrix was effectively applied in the production of free fatty acids from commercial soybean oil demonstrating operational stability after five reuse cycles as well as potential application in the transesterification and esterification reactions by using abdominal chicken fat as substrate. © 2018 American Institute of Chemical Engineers Environ Prog, 38: 608–613, 2019
Computational and neural mechanisms of affected beliefs

The feedback people receive on their behavior shapes the process of belief formation and self-efficacy in mastering a given task. The neural and computational mechanisms of how the subjective value of these beliefs and corresponding affect bias the learning process are yet unclear. Here we investigate this question during learning of self-efficacy beliefs using fMRI, pupillometry, computational modeling and individual differences in affective experience. Biases in the formation of self-efficacy beliefs were associated with affect, pupil dilation and neural activity within the anterior insula, amygdala, VTA/SN, and mPFC. Specifically, neural and pupil responses map the valence of the prediction errors in correspondence to the experienced affect and learning bias people show during belief formation. Together with the functional connectivity dynamics of the anterior insula within this network our results hint towards neural and computational mechanisms that integrate affect in the process of belief formation.
Oxidative Stress and Energy Metabolism in the Brain: Midlife as a Turning Point

Neural tissue is one of the main oxygen consumers in the mammalian body, and a plentitude of metabolic as well as signaling processes within the brain is accompanied by the generation of reactive oxygen (ROS) and nitrogen (RNS) species. Besides the important signaling roles, both ROS and RNS can damage/modify the self-derived cellular components thus promoting neuroinflammation and oxidative stress. While previously, the latter processes were thought to progress linearly with age, newer data point to midlife as a critical turning point. Here, we describe (i) the main pathways leading to ROS/RNS generation within the brain, (ii) the main defense systems for their neutralization and (iii) summarize the recent literature about considerable changes in the energy/ROS homeostasis as well as activation state of the brain’s immune system at midlife. Finally, we discuss the role of calorie restriction as a readily available and cost-efficient antiaging and antioxidant lifestyle intervention.
Forensic Odontology Knowledge Analysis among Undergraduates Dental Students in Saudi Aribia

Aims: This study aims to measure the knowledge and awareness level towards Forensic odontology and Bite mark analysis among Dental students in Saudi Arabia. Study Design: This is an observational cross-sectional study. Place and Duration of Study: Conducted in Saudi Arabia from July to August 2021. Methodology: The study’s population consisted of Dental undergraduate in Saudi Arabia. Our Inclusion criteria: Male and Female, Private or Public, Dental Intern and dental students in Saudi national or non-Saudi. And Agree to Participate. The sample size was estimated using the Qualtrics calculator with a confidence level of 95%; a sample size of 386. Google Form was used as study tools the questionnaire contained 8 Questions. The First question includes information about years of study, the second question Name the College of a student, and other questions include questions on knowledge about Forensic odontology and Bite Mark analysis, and would they wish this specialization would be Available to us in Saudi Arabia Results: A total of 386 participants completed the survey questionnaire. The results showed that the 75.4% of the study participants were females compared to 24.6% of them were males. it can be noted that approximately 75% of the study participants were in advance levels of their education (fourth year or after) compared to 25% of students were at inception phase of their study. Conclusion: Every dental student must have knowledge of forensic dentistry because it is important to preserve the rights and assist the legal and security authorities in identifying victims and suspects and gaining awareness to accurately.
Rubiacearum Americanarum Magna Hama Pars XLIX: Overview of the Neotropical Genus Tournefortiopsis (Guettardeae), With Some New Species and Subspecies

Guettarda L. (Rubiaceae) as traditionally circumscribed has been found to be polyphyletic in molecular analyses. Tournefortiopsis Rusby has been separated from it based on details of inflorescence arrangement, pyrene shape, and molecular analyses. We here find additional characters that distinguish this genus: valvate-induplicate corolla lobes and apical horns on the pyrenes. Some features that are usually consistent within species and often genera of Rubiaceae vary within some species of Tournefortiopsis, especially pubescence form and number of corolla lobes and locules. Our taxonomic review of this genus recognizes 12 species found in Central America and perhaps southern Mexico, the Lesser Antilles, and northern and Andean South America, and finds its center of diversity in the Andes of Colombia. Chomelia torrana C. M. Taylor is here transferred to Tournefortiopsis, and four species are newly described here plus one recently recognized variety is raised to species status, all in South America: T. crassifolia (Standl. ex Steyerm.) C. M. Taylor & A. C. Berger, T. deviana C. M. Taylor, T. robusta C. M. Taylor, T. sopkinii C. M. Taylor, and T. tamboana C. M. Taylor. Tournefortiopsis crispiflora (Vahl) Borhidi is here treated as widespread and morphologically variable, with a complex of forms that are not distinctive but completely separable and with notable diversification in Central America and the northern Andes. Four subspecies of T. crispiflora are recognized, with one circumscribed differently than previously and one newly described, T. crispiflora subsp. delicatula C. M. Taylor & A. C. Berger. The identity and characters of T. dependens (Ruiz & Pav.) Borhidi are clarified, and it is more widely distributed than previously noted. Six names are lectotypified.
The performance of the log rank test for different relationships between the hazards: the case of the triangular test in comparison with some other sequential tests

Abstract Sequential designs are widely used in medical research for the reason being one of ethics to terminate or alternate a trial as soon as significant evidence are available that saves time, cost and other resources. The most popular and frequently used sequential framework in real life is the Triangular Test with the Christmas tree correction for the important statistical properties that it possesses. Often the log-rank test is used in clinical medicine, and it has been found to be more efficient when the hazards of intervention groups are proportional. Therefore, this study intends to identify the performance of the log-rank test for different relationships between the Hazards departures from proportional hazards in the framework of the sequential design of the Triangular Test as well as some other sequential designs. The results indicate that the log-rank test maintains the desirable significance level when the interim sample size consists of 200 or a greater number of patients for the Triangular design. Moreover, the study findings include that the power of the test is high when proportional hazard is satisfied. The Triangular design performs better with respect to type I error as well as power.
Clinical study of multiple myeloma and treatment responses in a tertiary care centre

Background: Multiple myeloma (MM) evolves from Monoclonal gammopathy of unknown significance (MGUS), a premalignant clinical condition. Second to non-Hodgkin’s lymphoma, MM is the most common haematological malignancy. The aim of the study was to review the clinical profile and response of individuals treated for MM from this part of country.Methods: We evaluated data of patients with MM managed between 2013 and 2019 at a tertiary care cancer hospital in Rajamahenderi, India. Data regarding demographic variables, clinical features, disease characteristics and treatment details were collected and analysed.Results: Total of 54 patients with MM were managed. Mean age was 59.4 years. Males accounted for 63%. Bone pain (90%) was the most common symptom. Elevated serum creatinine was noted in 16.7% and M band in 42 (77.8%). X-ray of skull showed lytic lesions in 41 (75.9%). Mean haemoglobin value was 8.8±1.9 g/dl and serum calcium was 9.12 mg/dl. Majority of subjects, 44 (81.48%) belong to stage IIIA, 9 (16.67%) to stage IIIB, and 1.85% to stage IIA of Durie Salmon staging system. No response was noted in 17 (31.5%), 4 (7.4%) subjects had a progressive disease even on treatment, and 8 (14.8%) subjects had a very good partial response. Median survival of subjects belonging to DSS stage II was 17 months, IIIA was 11.037 months and stage IIIB was 17.463 months.Conclusions: MM has an early onset in India. Though MM is an incurable disease, many promising treatment options are there which lead to increase in survival. Early treatment helps in improving mortality rates, better quality of life and decreases disease burden.
The Determinants of Dividend Policy (an Empirical Study on Manufacturing Companies Listed on the Indonesia Stock Exchange 2016-2019 Period)

This research aims to analyze the factors that affect the company’s opportunities to distribute dividends, and based on those opportunities, this research further identifies the factors that affect the size of dividends to be distributed by the company. The research sample was taken from manufacturing companies listed on the Indonesia Stock Exchange for 2016-2019. The regression models used were logistic regression to analyze the variables affecting the company’s opportunities of dividends and multiple linear regression to analyze the variables affecting the size of the dividends to be distributed. This research finding revealed that the variables affecting the company’s opportunities of distributing dividends were profitability, liquidity, and company size. However, of the three variables, only profitability affected the size of the dividend distributed by the company.
PepSeA: Peptide Sequence Alignment and Visualization Tools to Enable Lead Optimization

Therapeutic peptides offer potential advantages over small molecules in terms of selectivity, affinity, and their ability to target “undruggable” proteins that are associated with a wide range of pathologies. Despite their importance, there are currently no adequate molecular design capabilities that inform medicinal chemistry decisions on peptide programs. More specifically, SAR (Structure-Activity Relationship) analysis and visualization of linear, cyclic, and cross-linked peptides containing non-natural motifs, which are widely used in drug discovery. To bridge this gap, we developed PepSeA (Peptide Sequence Alignment and Visualization), an open-source, freely available package of sequence-based tools (https://github.com/Merck/PepSeA). PepSeA enables multi-sequence alignment of non-natural amino acids and enhanced HELM (Hierarchical Editing Language for Macromolecules) visualization. Via stepwise SAR analysis of a ChEMBL peptide dataset, we demonstrate PepSeA’s power to accelerate decision making in lead optimization campaigns in pharmaceutical settings. PepSeA represents an initial attempt to expand cheminformatics capabilities for therapeutic peptides and to enable rapid and more efficient design–make–test cycles.
Asymptotically Optimal Lagrangian Policies for Multi-Warehouse, Multi-Store Systems with Lost Sales

Simple Algorithms for Complex Multiwarehouse, Multistore Inventory Control Problems Retailers (both brick-and-mortar and e-commerce) have always faced the problem of allocating inventories in their warehouses (or central distribution centers) to the stores (or smaller local warehouses) in order to minimize total costs. The problem is particularly challenging when the network structure is large and complex, the selling season is long, and the replenishment is frequent. For example, giant retail chains such as Macy’s typically have many warehouses and hundreds of stores across the United States, and online retailers such as Amazon have many distribution centers and over one hundred fulfillment centers. The authors develop algorithms to solve this multiwarehouse, multistore (MWMS) inventory control problem. Their algorithms are computationally efficient and asymptotically optimal as the problem becomes large and complex. This feature is very appealing to today’s fast-moving retail industry with rapidly expanding business scale.