Miracle-dz/UniFAR-FTUs huggingface dataset:
A Quantum Chemical Investigation into the Molecular Mechanism of the Atmospheric Reactions of Chemi-Ions with Nitrogen and Nitrogen Oxides

Nitrogen oxides and chemi-ions are atmospheric pollutants with considerable aeronomic interest. These toxicants can react with each other, producing various ionic species and highly reactive by-products that play a crucial role in aerosol clustering and mediate several important atmospheric reactions. Understanding the chemical reactivity of these pollutants can provide essential information for controlling their excess emission into the atmosphere. Computational modeling and electronic structure studies help in predicting the structure, reactivity, and thermodynamics of transient atmospheric chemical species and can guide experimental research by providing vital mechanistic insights and data. In the present study, a computational investigation into the mechanisms of the binary associative reactions between negative ions: O2− and O3− with NO, NO2, and N2 was conducted using the Coupled-Cluster Singles and Doubles (CCSD) theory. Five model reactions between N2/NOx with On− (n = 2, 3) were considered in this work. Our calculations revealed that reactions (2) and (5) are two sequential processes involving intermediates, and all others occur in a concerted manner by direct transitions from the reactants to the products, with no isolable intermediates proceeding via single non-planar transition states. Our study revealed that the higher activation barrier required for the formation of NO3− (2) as compared to NO2− (1) could be the reason for the excess formation of NO2− ions over NO3− ions in the atmosphere. Further, all the investigated reactions except (5) are found to be feasible at room temperature. The energy required to break N-N bonds in the N2 molecule justifies the high barrier for (5). The results obtained from the study are in close agreement with the available experimental data. Moreover, the data from the study can be utilized for the evaluation of experiments and model predictions pertaining to NOx oxidation and molecular modeling of the gas-phase chemistry of pollutants/nucleation precursors formed in the Earth’s atmosphere and aircraft engines.
A VIMOS spectroscopy of photometric variables and straggler candidates in omega Centauri

We report a spectroscopic study of 19 photometric variables and 55 blue, yellow and red straggler candidates in the field of omega Centauri. We confirm the cluster membership of 18 variables and 54 straggler candidates. Velocity variations are detected in 22 objects, and another 17 objects are classified as suspected of being velocity-variable. Velocity data of 11 photometric variables phase with their photometric periods, however none of these objects has a mass function indicating the presence of a massive degenerate component. Based on both photometric and spectroscopic data we find that the fraction of binaries among blue stragglers may be as high as 69 per cent.
Effects of azimuthal temperature distribution and rod internal gas energy on ballooning deformation and rupture opening formation of a 17 × 17 type PWR fuel cladding tube under LOCA-simulated burst conditions

ABSTRACT In order to contribute to better modeling and evaluation of fuel fragmentation, relocation, and dispersal expected under loss of coolant accident (LOCA) conditions, LOCA-simulated cladding burst experiments were performed on as-received nonirradiated 17 × 17 type Zircaloy-4 cladding specimens that were internally pressurized. The experiments were designed to terminate at burst occurrence to focus on ballooning and rupture opening formation and to investigate the effects of various factors. The postburst cladding hoop strain decreased with the increase in azimuthal temperature difference (ATD) of the cladding, as found previously. The rupture opening size increased with the increase in ATD and the increase in energy of the pressurized gas stored inside the pressure boundary of the test sample system. Comparison with the existing database, which included tests on irradiated rods containing fuel pellets, suggested that formation of the rupture opening was influenced by the characteristic behavior of high burnup fuels, such as limited gas migration in the cladding tube due to fuel–cladding bonding and interaction of the ejected fuel fragments with the cladding tube. GRAPHICAL ABSTRACT
Predicting Mortality Using Machine Learning Algorithms in Patients Who Require Renal Replacement Therapy in the Critical Care Unit

Background: General severity of illness scores are not well calibrated to predict mortality among patients receiving renal replacement therapy (RRT) for acute kidney injury (AKI). We developed machine learning models to make mortality prediction and compared their performance to that of the Sequential Organ Failure Assessment (SOFA) and HEpatic failure, LactatE, NorepInephrine, medical Condition, and Creatinine (HELENICC) scores. Methods: We extracted routinely collected clinical data for AKI patients requiring RRT in the MIMIC and eICU databases. The development models were trained in 80% of the pooled dataset and tested in the rest of the pooled dataset. We compared the area under the receiver operating characteristic curves (AUCs) of four machine learning models (multilayer perceptron [MLP], logistic regression, XGBoost, and random forest [RF]) to that of the SOFA, nonrenal SOFA, and HELENICC scores and assessed calibration, sensitivity, specificity, positive (PPV) and negative (NPV) predicted values, and accuracy. Results: The mortality AUC of machine learning models was highest for XGBoost (0.823; 95% confidence interval [CI], 0.791–0.854) in the testing dataset, and it had the highest accuracy (0.758). The XGBoost model showed no evidence of lack of fit with the Hosmer–Lemeshow test (p > 0.05). Conclusion: XGBoost provided the highest performance of mortality prediction for patients with AKI requiring RRT compared with previous scoring systems.
Scaling the Gibbs posterior credible regions

In some applications, the relationship between the observable data and unknown parameters is described via a loss function rather than likelihood. In such cases, the standard Bayesian methodology cannot be used, but a Gibbs posterior distribution can be constructed by appropriately using the loss in place of a likelihood. Although misspecified by definition, Gibbs posteriors have a number of desirable properties; for example, we show that the Gibbs posterior converges at the same rate as the corresponding M-estimator. Inference based on the Gibbs posterior is not straight- forward, however, because the finite-sample performance is highly sensitive to the scale of the loss function. To meet this challenge, we propose a Gibbs Posterior Scaling (GPS) algorithm that adaptively selects the scaling in order to calibrate the corresponding Gibbs posterior credible regions. In the important quantile regres- sion problem, we show numerically that our Gibbs posterior credible intervals, with scale selected by the GPS algorithm, are exactly calibrated and are more efficient than those obtained via other Bayesian-like methods.
HAT-P-50b, HAT-P-51b, HAT-P-52b, AND HAT-P-53b: THREE TRANSITING HOT JUPITERS AND A TRANSITING HOT SATURN FROM THE HATNET SURVEY

We report the discovery and characterization of four transiting exoplanets by the HATNet survey. The planet HAT-P-50b has a mass of 1.35 ? > M J ? > and radius of 1.29 ? > R J ? > , and orbits a bright ( V = 11.8 ? > mag) M = 1.27 ? > M ⊙ ? > , R = 1.70 ? > R ⊙ ? > star every P = 3.1220 ? > days. The planet HAT-P-51b has a mass of 0.31 ? > M J ? > and radius of 1.29 ? > R J ? > , and orbits a V = 13.4 ? > mag, M = 0.98 ? > M ⊙ ? > , R = 1.04 ? > R ⊙ ? > star with a period of P = 4.2180 ? > days. The planet HAT-P-52b has a mass of 0.82 ? > M J ? > and radius of 1.01 ? > R J ? > , and orbits a V = 14.1 ? > mag, M = 0.89 ? > M ⊙ ? > , R = 0.89 ? > R ⊙ ? > star with a period of P = 2.7536 ? > days. The planet HAT-P-53b has a mass of 1.48 ? > M J ? > and radius of 1.32 ? > R J ? > , and orbits a V = 13.7 ? > mag, M = 1.09 ? > M ⊙ ? > , R = 1.21 ? > R ⊙ ? > star with a period of P = 1.9616 ? > days. All four planets are consistent with having circular orbits and have masses and radii measured to better than 10% precision. The low stellar jitter and favorable R p ? > / R ⋆ ? > ratio for HAT-P-51 make it a promising target for measuring the Rossiter–McLaughlin effect for a Saturn-mass planet.
Fighting lies with facts or humor: Comparing the effectiveness of satirical and regular fact-checks in response to misinformation and disinformation

ABSTRACT This study tested the effectiveness of fact-check format (regular vs. satirical) to refute different types of false information. Specifically, we conducted a pre-registered online survey experiment (N = 849) that compared the effects of regular fact-checkers and satirist refutations in response to mis- and disinformation about crime rates. The findings illustrated that both fact-checking formats – factual and satirical – were equally effective in lowering issue agreement and perceived credibility in response to false information. Instead of a backfire effect, moreover, the regular fact-check was particularly effective among people who agreed with the fact-check information; for satirical fact-checking, the effect was found across-the-board. Both formats were ineffective in decreasing affective polarization; it rather increased polarization under specific conditions (satire; agreeing with the fact-check).
Food insecurity and changes in social citizenship. A comparative study of Rome, Barcelona and Athens

ABSTRACT Food insecurity is a pressing issue not only in low-income countries and rural areas, but also in affluent societies and major cities all around the world. Inequality related to access to food has, thus, become one of the main challenges to the social inclusion model based on social citizenship that is a characteristic feature of European societies. Starting from the multidimensional nature of food security, access to food is considered a necessary entitlement to make social citizenship effective, but this is not guaranteed in European societies. This contribution sets out to analyse the social inclusion/exclusion processes related to the status of food deprivation. This outcome is assessed in terms of social citizenship initiatives’ ability to stimulate a demand for institutional change, in a more inclusive direction. This aim is achieved through a comparative analysis of three different case studies of social citizenship initiatives, in three major cities of Southern Europe: Rome, Barcelona and Athens. Since food is not only a means of survival, but also holds multiple emotional, cultural and social meanings, this article shows – under what conditions – people, participating in social citizenship initiatives, can get social recognition and autonomy which can lead to reconnecting food and effective citizenship.
The Adhesion GPCR VLGR1/ADGRV1 Regulates the Ca2+ Homeostasis at Mitochondria-Associated ER Membranes

The very large G protein-coupled receptor (VLGR1, ADGRV1) is the largest member of the adhesion GPCR family. Mutations in VLGR1 have been associated with the human Usher syndrome (USH), the most common form of inherited deaf-blindness as well as childhood absence epilepsy. VLGR1 was previously found as membrane–membrane adhesion complexes and focal adhesions. Affinity proteomics revealed that in the interactome of VLGR1, molecules are enriched that are associated with both the ER and mitochondria, as well as mitochondria-associated ER membranes (MAMs), a compartment at the contact sites of both organelles. We confirmed the interaction of VLGR1 with key proteins of MAMs by pull-down assays in vitro complemented by in situ proximity ligation assays in cells. Immunocytochemistry by light and electron microscopy demonstrated the localization of VLGR1 in MAMs. The absence of VLGR1 in tissues and cells derived from VLGR1-deficient mouse models resulted in alterations in the MAM architecture and in the dysregulation of the Ca2+ transient from ER to mitochondria. Our data demonstrate the molecular and functional interaction of VLGR1 with components in MAMs and point to an essential role of VLGR1 in the regulation of Ca2+ homeostasis, one of the key functions of MAMs.
COVID-19 AS A POTENTIAL RISK FACTOR FOR ISCHEMIC STROKE: A CASE REPORT

Background: Corona virus disease 2019 (COVID-19) is a pandemic disease with a wide spectrum of symptoms. Neurological symptoms are often found in this disease. Stroke on the other hand is a multifactorial disease that can be caused by a lot of underlying problems. Case: We report a case of a 67 years old man with a weakness on the right side that was worsened one day before arrival in hospital and a shortness of breath. the patient had history of stroke before, and controlled hypertension. Head Ct-scan showed a stroke infarct, and Swab RT-PCR showed + SARS-CoV-2. Discussion: Infection may become the risk factor of stroke. inflammatory mediators such as TNF-a , and CRP support the procoagulant state which leads to stroke. Conclusion: COVID-19 may increase the risk of stroke due to the inflammation state that leads to procoagulant state
Governance and Employee Retention: An Industry Risk and Outlook During Pandemic

This paper focused on the assessment of governance risks and its effects to employee retention of service-based businesses in Laguna, Philippines. The study exclusively adopted the governance risks from LaConte’s Strategic Risks Model and Job Embeddedness’ Theory for employee retention. Descriptive research and purposive sampling were employed with 360 retrieved questionnaires. The questionnaire used in this study were subjected to reliability testing with acceptable to good internal consistency. Data were evaluated using statistical tools of frequency, rank, mean, weighted mean and ANOVA. The highest governance risks experienced by business owners during the pandemic in relation to planning is the suspended implementation of goals and objectives while in terms of monitoring and control, unpreparedness on future risks was ranked first. Management support to the professional needs of its employees is significant for reduced turnover of employee retention. Moreover, for the employee productivity, involvement of the employees to the business planning got the highest mean. Planning, and monitoring and control have strong significant difference when grouped according to service sector while under employee retention, reduced turnover is significantly different when grouped according to profile factor. However, the employee productivity showed only strong significant difference in service sector. The study suggested that LGUs may develop a program for governance management and employee empowerment program to aid the recovery programs for service-based businesses.
Balsam Poplar Buds: Extraction of Potential Phenolic Compounds with Polyethylene Glycol Aqueous Solution, Thermal Sterilization of Extracts and Challenges to Their Application in Topical Ocular Formulations

Phenolic compounds of natural origin have been valued for their beneficial effects on health since ancient times. During our study, we performed the extraction of phenolic compounds from balsam poplar buds using different concentrations of aqueous polyethylene glycol 400 solvents (10–30% PEG400). The aqueous 30% PEG400 extract showed the best phenolic yield. The stability of the extract during autoclave sterilization was evaluated. The extract remained stable under heat sterilization. Ophthalmic formulations are formed using different concentrations (8–15%) of poloxamer 407 (P407) together with hydroxypropyl methylcellulose (0.3%), sodium carboxymethyl cellulose (0.3%) or hyaluronic acid (0.1%). Physicochemical parameters of the formulations remained significantly unchanged after sterilization. Formulations based on 12% P407 exhibited properties characteristic of in situ gels, the gelation point of the formulations was close to the temperature of the cornea. After evaluating the amount of released compounds, it was found that, as the concentration of polymers increases, the amount of released compounds decreases. Formulations based on 15% P407 released the least biologically active compounds. Sterilized formulations remained stable for 30 days.
Stiff and differential-algebraic problems

IV. Stiff Problems - One-Step Methods. - IV.1 Examples of Stiff Equations. - IV.2 Stability Analysis for Explicit RK Methods. - IV.3 Stability Function of Implicit RK-Methods. - IV.4 Order Stars. - IV.5 Construction of Implicit Runge-Kutta Methods. - IV.6 Diagonally Implicit RK Methods. - IV.7 Rosenbrock-Type Methods. - IV.8 Implementation of Implicit Runge-Kutta Methods. - IV.9 Extrapolation Methods. - IV.10 Numerical Experiments. - IV.11 Contractivity for Linear Problems. - IV.12 B-Stability and Contractivity. - IV.13 Positive Quadrature Formulas and B-Stable RK-Methods. - IV.14 Existence and Uniqueness of IRK Solutions. - IV.15 B-Convergence. - V. Multistep Methods for Stiff Problems. - V.1 Stability of Multistep Methods. - V.2 "Nearly" A-Stable Multistep Methods. - V.3 Generalized Multistep Methods. - V.4 Order Stars on Riemann Surfaces. - V.5 Experiments with Multistep Codes. - V.6 One-Leg Methods and G-Stability. - V.7 Convergence for Linear Problems. - V.8 Convergence for Nonlinear Problems. - V.9 Algebraic Stability of General Linear Methods. - VI. Singular Perturbation Problems and Index 1 Problems. - VI.1 Solving Index 1 Problems. - VI.2 Multistep Methods. - VI.3 Epsilon Expansions for Exact and RK Solutions. - VI.4 Rosenbrock Methods. - VI.5 Extrapolation Methods. - VI.6 Quasilinear Problems. - VII. Differential-Algebraic Equations of Higher Index. - VII.1 The Index and Various Examples. - VII.2 Index Reduction Methods. - VII.3 Multistep Methods for Index 2 DAE. - VII.4 Runge-Kutta Methods for Index 2 DAE. - VII.5 Order Conditions for Index 2 DAE. - VII.6 Half-Explicit Methods for Index 2 Systems. - VII.7 Computation of Multibody Mechanisms. - VII.8 Symplectic Methods for Constrained Hamiltonian Systems. - Appendix. Fortran Codes. - Driver for the Code RADAU5. - Subroutine RADAU5. - Subroutine RADAUP. - Subroutine RODAS. - Subroutine SEULEX. - Problems with Special Structure. - Use of SOLOUT and of Dense Output. - Symbol Index.
New substrate medium mixture can improve the initial growth of Hylocereus costaricensis (Haw)

Dragon fruit is an exotic species that has currently shown great relevance in the world market. Hence, the demand for materials with high genetic potential has increased. Genetic propagation allows selecting materials with high yield and climatic conditions adaptation. The selection of the substrate influences the quality of the seedling, which should provide adequate conditions for germination and root development. This study aimed to evaluate the seed emergence and initial growth of dragon fruit cultivated in different substrates under nursery conditions. The experiment was carried out in a completely randomized design, with 11 treatments, four replications, and 25 seeds per replication. The treatments used were composed of the soil, mixture with organic compost and commercial substrate. First emergence count, emergence percentage, and emergence speed were evaluated up to 50 days after sowing. Data of shoot length, stem diameter, root length, shoot dry matter, and root dry matter were recorded at 88 days after emergence. The treatment of washed sand + coconut fiber and Tropstrato® provided a higher emergence percentage and emergence speed of dragon fruit seeds. The treatment of coconut fiber + Tropstrato® + organic compost allowed better means for stem diameter, shoot dry matter, and root dry matter. Conversely, the treatments of washed sand + Tropstrato® and Tropstrato® resulted in greater root system growth.
Envelopes of positive metrics with prescribed singularities

We investigate envelopes of positive metrics with a prescribed singularity type. First we generalise work of Berman to this setting, proving C^{1,1} regularity of such envelopes, showing their Monge-Ampere measure is supported on a certain "equilibrium set" and connecting with the asymptotics of the partial Bergman functions coming from multiplier ideals. We investigate how these envelopes behave on certain products, and how they relate to the Legendre transform of a test curve of singularity types in the context of geodesic rays in the space of K\"ahler potentials. Finally we consider the associated exhaustion function of these equilibrium sets, connecting it both to the Legendre transform and to the geometry of the Okounkov body.
Bioactive Compounds, Health Benefits and Food Applications of Grape

Grape (Vitis vinifera L.) is one of the most popular fruits worldwide. It contains various bioactive compounds, such as proanthocyanidins, anthocyanins, flavonols, phenolic acids and stilbenes, the contents of which could vary considerably in grape skin, pulp and seed. Many studies have revealed that grape possesses a variety of health benefits, such as antioxidant, anti-inflammatory, gut-microbiota-modulating, anticancer and cardioprotective effects. Grape is eaten as fresh fruit and is also used as raw material to produce various products, such as wine, grape juice and raisins. Moreover, the byproducts of grape, such as grape pomace and grape seed, have many applications in the food industry. In this paper, the bioactive compounds in grape are briefly summarized based on literature published in recent years. In addition, the health benefits of grape and its bioactive components are discussed, with special attention paid to the underlying mechanisms. Furthermore, the applications of grape in the food industry are elucidated, especially the applications of grape pomace and grape seed. This paper can contribute to understanding the health benefits and mechanisms of grape and its bioactive compounds, as well as the promotion of the use of grape in the food industry.
Developing digital competency in HPETE: a heuristic for and analysis of three programs in the Southern Hemisphere

ABSTRACT This paper presents a heuristic tool that can be used to analyse and reflect on the inclusion of digital competences in Health and Physical Education Teacher Education (HPETE) programs. The tool is used to identify and compare how HPETE programs in three Southern Hemisphere countries address digital competency as an aspect of learning to teach Health and Physical Education (HPE). The results reveal that the tool provides an effective way of analysing the development of digital technologies through HPETE. While these programs are concerned with the need for technology education, they do not rely on suggested international frameworks and have a different focus related to future teachers’ digital competences. The lack of a systematic policy to improve digital skills in our data suggests that technology education has emerged from localised efforts. We suggest that our heuristic tool can support educators to refine the inclusion of digital competences in HPETE programs.