Miracle-dz/UniFAR-FTUs huggingface dataset:
On the prediction of transport properties of ionic liquid using 1-n-butylmethylpyridinium tetrafluoroborate as an example

Abstract The Green–Kubo and Einstein–Helfand approaches are examined for calculating diffusion coefficient, electronic conductivity and shear viscosity of ionic liquid using 1-n-butylmethylpyridinium tetrafluoroborate [C4PY][BF4] as an example. Both methods suffer numerical errors accumulated at long simulation time, resulting divergences in the integrated autocorrelation time (IAT) and nonlinearity in the mean square displacement (MSD). The numerical errors can be reduced using smaller time step in the simulation. By identifying a converged plateau in IAT and a linear segment in MSD both approaches yield consistent predictions. Using a validated force field, the predicted diffusion coefficient and electrical conductivity agree reasonably well with the experimental data. However, the shear viscosity is significantly underestimated. Analysis of the simulation data indicates that a much slow relaxation in the pressure tensor must be considered, which is unfortunately infeasible due to the accumulated numerical error. Alternatively, the non-equilibrium periodic perturbation method shows promising improvement in the prediction.
Effects in the short-term of combining an eco-friendly slag cement and several lightweight aggregates in relation to the microstructure and water ingress ability of mortars

: Improving the sustainability of the construction sector is now a major issue. In order to reach more eco-friendly buildings and structures, the use of cements which incorporate additions as clinker replacement has reached a great development. Furthermore, the use of lightweight aggregates has a great interest regarding the sustainability of construction industry. In this research, the effects at early hardening ages of combining a sustainable cement with high content of ground granulated blast furnace slag (type CEM III/B) and different lightweight aggregates in the microstructure and durability of mortars have been studied. In these mortars, 50% of the sand volume has been replaced by lightweight aggregates, such as natural cork, expanded cork and expanded clay. Reference mortars with an ordinary Portland cement (type CEM I) have also been prepared, as well as mortars without lightweight aggregates. The samples were kept submerged in water until the testing age. The microstructure has been studied using mercury intrusion porosimetry and scanning electron microscopy. Regarding the durability influencing parameters, water absorption has been analyzed. According to the results obtained, the incorporation of slag improved the overall performance of the mortars with the studied lightweight aggregates
Fabrication of an Effective Gold Nanoparticle/Graphene/Nafion® Modified Glassy Carbon Electrode for High Sensitive Detection of Trace Cd2+, Pb2+ and Cu2+ in Tobacco and Tobacco Products

The heavy metal contamination in tobacco (nicotania tabacum) and tobacco products was investigated in this study. Samples of commercially available cigarettes and traditional Philippine cigars, dried tobacco leaves, tobacco stalk, and soil were tested to confirm their heavy metal content. The World Health Organization (WHO) limits for Cd 2+ , Pb 2+ , and Cu 2+ are 3 ppb, 10 ppb and 2 ppm, respectively. All the cigarette brands and variants in this study are all way above the WHO’s toxicity limits for the aforementioned heavy metals. Henceforth, all the cigarette variants in this study can be inferred to be dangerously toxic. The heavy metal detection was done with a glassy carbon electrode modified with gold nanoparticles (AuNP), graphene and Nafion® using the drop coating method. The modified electrodes were optimized by varying the concentration of graphene and AuNP and their effects were subsequently determined by the measurement of their analytical sensitivity, limits of detection, and limits of quantitation. Atomic absorption spectroscopy was performed to validate the concentrations of the heavy metals detected via anodic stripping voltammetry. The statistically insignificant difference between the concentrations detected through anodic stripping voltammetry and atomic absorption spectroscopy shows that the modified electrodes exhibited optimum detection properties. In addition, the transfer factors from soil to tobacco stalk, as well as, soil to tobacco leaf were also computed.
Breve aproximación teórica al modelo de aula invertida y su posible contribución al desarrollo de habilidades investigativas en estudiantes universitarios

The objective of this study is to determine the contribution of the flipped classroom to the development of research skills in university students. The flipped classroom is an eclectic pedagogical model, strengthened by the developmentofcurrentcomputertools,theproper implementation would contribute to establish a favorable environment for the full performance of the knowledge acquisition process in the university space, through collaborative work, self-discipline and, ultimately, the culture of self-knowledge. This model would also be conducive to the development and strengthening of research skills in university students.
Effect of bonding technique on microleakage around ceramic laminate veneers (In-vitro comparative study)

This In-vitro study was conducted to assess the marginal sealing provided by Self-Adhesive resin cement compared to the traditional Total-Etch cement on Porcelain laminate veneers, by studying Microleakage. 24 intact human upper premolars extracted without caries and restorations. They were stored in physiologic saline solution. An Incisal Overlapp preparation was made on enamel surface to receive 24 Porcelain laminate veneers (PLV). The lithium disilicate PLV were fabricated by burnout/ heat pressing of wax pattern with a thickness of 0.5 mm. Sample was divided into two groups of twelve teeth each according to the bonding techniques. Group1: Total-Etch, light cure resin cement (Variolink Esthetic LC, Ivoclar Vivadent) was used. Group2: Self-Adhesive resin cement (SA cement plus, Panavia, Kuraray Noritake) was used without any pre-conditioning of the tooth surfaces of the teeth. The sample was immersed in 0.5% methylene blue dye, temperature of 37C for 12 hours. Each tooth was sectioned Longitudinally and horizontally and evaluated using a stereomicroscope (1500 stereo microscope Nikon Stereo Microscopes-SMZ). The values of dye penetration were recorded. values were documented and statistically analyzed by Mann-Whitney U-test. There were significant differences in the values of microleakage between the two groups. Study concluded that the use of Total Etch technique reduced the microleakage around PLV.
Prognostic value of ST2 for MACEs and all-cause mortality in patients with coronary artery disease during a long-term follow up

Background: Suppression of tumorigenesis-2 is implicated in the myocardial overload and it was long been recognized as an inflammation marker related to heart failure and acute coronary syndromes, but the data on prognostic value of suppression of tumorigenesis-2 on patients with coronary artery disease remains limited. The study ought to investigate the prognostic value of suppression of tumorigenesis-2 in patients with established coronary artery disease.Methods: In this prospective cohort study, a total of 3641 consecutive patients were included. The primary end point was major adverse cardiovascular events. Kaplan-Meier survival estimates indicated that the patients with higher levels of ST2 (ST2> 19 ng/ml) had a significantly increased risk of MACEs (log-rank p＜0.001) and all-cause death (log-rank p＜0.001). The secondary end point was all-cause death. The association between suppression of tumorigenesis-2 and outcomes was investigated using multivariable COX regression.Results: During a median follow up of 6.4 years, there were 775 patients had the occurrence of major adverse cardiovascular events and 275 patients died. Kaplan-Meier survival estimates indicated that the patients with higher levels of ST2 (ST2> 19 ng/ml) had a significantly increased risk of MACEs (log-rank p＜0.001) and all-cause death (log-rank p＜0.001). Multiple COX regression models showed that higher level of suppression of tumorigenesis-2 was an independent predictor in developing major adverse cardiovascular events (HR=1.36, 95% CI 1.17-1.56, p＜0.001) and all-cause death (HR=2.01, 95%CI 1.56-2.59, p＜0.001). The addition of suppression of tumorigenesis-2 to established risk factors significantly improved risk prediction of the composite outcome of major adverse cardiovascular events and all-cause death (c-statistic, net reclassification index, and integrated discrimination improvement, all p＜0.05). Conclusions: Higher level of suppression of tumorigenesis-2 is significantly associated with long-term all-cause death and major adverse cardiovascular events. Suppression of tumorigenesis-2 may provide incremental prognostic value beyond traditional risk factors.
Galvanic Skin Response As a Measure of Engagement During Play in Virtual Reality

Competition is a common design strategy used to enhance user engagement and participation. However, it remains unclear how winning or losing might influence player’s engagement. In a recent study, we used behavioral metrics to quantify player engagement during competitive gameplay in virtual reality. To control for players’ status of winning or losing, we programmed a virtual opponent to either under-perform, over-perform, or tie with them. We conducted a series of experiments and found that players’ engagement was higher when they were losing, compared to when they played alone. Nevertheless, players’ engagement did not change during competition with an under-performing or equally-performing opponent. By applying the information-theoretic notion of transfer entropy, we unveiled a causal relationships between relative performance and engagement, whereby players monitored the scores and adapted their behavior accordingly. However, behavioral metrics are not detached from volition and may be influenced by confounding factors. This limitation is addressed by the use of physiological metrics, which offer largely unbiased measurements of cognitive and emotional processes. In the present study, we sought to strengthen our prior findings by measuring engagement with a physiological correlate. We conducted experiments in the same experimental setting and we measured players’ galvanic skin response during competition. We discovered that players’ skin conductance was higher when they were outperformed by their opponent, indicating that they were experiencing less flow. The results inform the design of technology-mediated applications toward sustaining user engagement and participation.
Hedging Valuation Adjustment: Fact and friction

We develop a simple and generic expression for the impact of transaction costs on the value of a derivative portfolio, expressed as a 'Hedging Valuation Adjustment' (HVA). We provide expressions for the HVA in two cases: when it is included as part of the value to be hedged, and when it is left as an unhedged reserve. The hedged case shows an interesting feature we term 'imaginary volatility'. We show numerical results, and extend the formalism to the pricing of individual trades and to the multi-asset case.
MODULAR SEARCH SPACE FOR AUTOMATED DESIGN OF NEURAL ARCHITECTURE

The past years of research have shown that automated machine learning and neural architecture search are an inevitable future for image recognition tasks. In addition, a crucial aspect of any automated search is the predefined search space. As many studies have demonstrated, the modularization technique may simplify the underlying search space by fostering successful blocks’ reuse. In this regard, the presented research aims to investigate the use of modularization in automated machine learning. In this paper, we propose and examine a modularized space based on the substantial limitation to seeded building blocks for neural architecture search. To make a search space viable, we presented all modules of the space as multisectoral networks. Therefore, each architecture within the search space could be unequivocally described by a vector. In our case, a module was a predetermined number of parameterized layers with information about their relationships. We applied the proposed modular search space to a genetic algorithm and evaluated it on the CIFAR-10 and CIFAR-100 datasets based on modules from the NAS-Bench-201 benchmark. To address the complexity of the search space, we randomly sampled twenty-five modules and included them in the database. Overall, our approach retrieved competitive architectures in averaged 8 GPU hours. The final model achieved the validation accuracy of 89.1% and 73.2% on the CIFAR-10 and CIFAR- 100 datasets, respectively. The learning process required slightly fewer GPU hours compared to other approaches, and the resulting network contained fewer parameters to signal lightness of the model. Such an outcome may indicate the considerable potential of sophisticated ranking approaches. The conducted experiments also revealed that a straightforward and transparent search space could address the challenging task of neural architecture search. Further research should be undertaken to explore how the predefined knowledge base of modules could benefit modular search space.
City-Level Action in a City-Wide Urban Commons. Amsterdam, 1977-1983

In the late 1970s, Amsterdam's squatted domain grew to comprise hundreds of buildings, and a city wide network of workspaces, bars, cultural venues and other infrastructure. The squatted domain, as it developed at the time, can be viewed as an urban commons. For a section of the squatting community, the whole was far greater than merely the sum of its parts, which led to the creation of a horizontal, city level organization. Commoning strategies applied at the city level were organizing squatting days, setting up a collective process for legalization, and promoting alternative urban development. However, evictions prompted confrontational action and a number of groups adopted a confrontational identity. Operating outside the city-level organization, autonomous action teams formed. They perfected the skills involved in the defense of squats, and had informal leaders. Nevertheless, groups with both prefigurative and confrontational collective identities worked together, despite the cooperation being tenuous. The upshot was that a large number of squatter collectives were never evicted, but that squats were legalized instead.
Screening to Identify the Unrecognized Victims in Practice: Implementing an EBP HITS Domestic Violence Tool in Neurology

Domestic violence (DV) or intimate partner violence (IPV) is the cause of major physical and emotional health consequences in neurological patients; yet many are not screened or referred for DV services. A need for the DV screening was identified for this project since the neurology practice did not have a DV screening policy and limited research for screening in neurology practices is in the literature. This pilot quality improvement (QI) study occurred in a 3-office private neurological practice in South Florida that treated 300 to 400 patients per month. The problems associated with the complications of DV among neurological patients can create increased psychological and chronic pain conditions while also leading to reduced quality of life from the sequalae related to the DV trauma. This QI quasi-experimental study aimed to evaluate the Nurse Practitioner (NP) provider screening and referral rates pre and post educational intervention using the evidence-based practice (EBP) HITS DV screening tool (Hurts, Insults, Threatens, Screams). The secondary objectives of the project were to translate this to screening practice by educating the staff on the evidenced based DV training and implementing an organizational policy for universal domestic violence screening. The Ace Star model of evidence-based practice was utilized as the conceptual framework (Permission for use was obtained via email from the author Dr. Kathleen Stevens). The ACE framework offered the 5 steps to evaluate and implement effective practice and organizational policy change. Final results of the study indicated an increase in provider compliance post educational intervention with DV screening and referral rates. The research questions were answered with further data analysis demonstrating an increase in provider DV screening and referrals with pre and post percentage scores. Scores ranged from 0.3% pre intervention screened and 87 % patients screened post intervention. DV referrals pre intervention were 0.6% and post referral were 100 % with the 10 patients that screened positive in the one-month time period. Results were consistent with other literature indicating provider screening barriers and more women screened positive on the HITS tool with 8 women and 2 men out of 10 positive screens in the one-month time period.
Seed Borne Endophytic Fungi Associated with Some Indigenous Rice Varieties of North East India and Their Growth Promotion and Antifungal Potential

Background: Seed borne endophytic fungi play an important role in seed germination and plant health. There are ubiquitous and have been found associated in every plant species investigated so far. They colonize plant seeds without causing any disease and are often vertically transmitted. Despite their occurrence, seed borne endophytic fungi are poorly investigated and their role for application in agriculture is still to be elucidated. Methods: In the present study endophytic fungi associated with seeds of some indigenous rice varieties of North East, India was investigated. The isolates were determined for IAA activity in-vitro and antifungal activity against rice pathogen, Magnaporthe grisea. Crude metabolites obtained from potent isolates were characterized by GCMS analysis to reveal the presence of bioactive compounds. Result: Our result indicated that commonly isolated fungal genera were Aspergillus, Fusarium, Gliocladium, Mucor, Penicillium, Bipolaris, Basidiobolus and Mycelia sterilia. Amongst them, colonization frequency (CF %) of Fusarium (8.8%) was found to be highest and was isolated from seeds of almost all the varieties. It was observed that four isolates of Fusarium showed good IAA production in the medium amended with tryptophan. The isolates also displayed antifungal activity against Magnaporthe grisea. GCMS analysis of the metabolites indicated presence of several bioactive compounds. The study suggests that seed borne endophytes can be explored as bio-inoculants for crop improvement in future research program.
Selenium‐Containing Polymer@Metal‐Organic Frameworks Nanocomposites as an Efficient Multiresponsive Drug Delivery System

The development of efficient multiresponsive drug delivery systems (DDSs) to control drug release has been widely explored. Herein, a facile strategy is reported that enables the micelles of the selenium‐containing polymer with the drug to be encapsulated in metal‐organic frameworks (MOFs), which serves as multiresponsive drug release by employing the selenium‐containing polymers with redox‐triggered property and the MOFs with pH‐triggered property in DDS. In this case, the micelles of selenium‐containing polymers, as core easily disassembles in the presence of redox agents, can then release the drug in MOFs matrixes. The ZIF‐8 (one type of MOFs) crystal frameworks serving as shell can collapse only under low pH conditions, and the drug can be further released. In the presence of external redox agents as well as the pH stimuli, the prepared nanocomposite (P@ZIF‐8) drug system exhibits the capability of multiresponsive release of the doxorubicin (DOX) and possesses good selectivity in releasing the DOX under low pH conditions instead of normal pH conditions. In addition, the merits of P@ZIF‐8 such as good biocompatibility, multiresponsive release properties, and especially the selective release properties under different pH conditions make the materials highly promising candidates for the realization of controlled drug delivery in tumor tissue systems.
Boron nitride nanotubes: functionalization and composites

Boron nitride nanotubes (BNNTs) are novel because of their wide band gap, superb mechanical properties, high thermal conductivity and robustness to oxidation. These features make BNNTs promising nanofillers that lead to the significant mechanical reinforcement and improvement of thermal conductivity of a composite. However, only in recent years, benefiting from the development of effective syntheses of BNNTs, have the follow-up chemical functionalization and composite studies of BNNTs been initiated. To achieve better solubility and processability of BNNTs, various methods have been developed to functionalize BNNTs via different interactions. Moreover, BNNT polymeric and ceramic composites have been fabricated and property improvements have indeed been documented. In this feature article, we summarize the recent progress in the chemistry and composite research of BNNTs.
La scuola dell’Infanzia alla prova dei LEAD: l’esperienza del territorio marchigiano

The Kindergartens faced an extremely difficult time due to the suspension of face-to-face teaching activities during the health emergency. They were supported by Infancy Commission, who published the document “Pedagogical Guidelines”, with indications for maintaining the relationship through Distance Educational Links (LEADs). They were also supported by territorial training teams for the National Digital School Plan (PNSD). The study was performed during a teachers’ training course in the Marche region, to collect data in order to define the most critical areas in distance learning for younger children. It will promote the next course design. Teamwork teachers emerged as a strength, while critical issues were identified, with reference to the DigCompEdu framework, in the areas: Digital resources, Differentiation and personalization, Responsible use of digital.
Pandemic Disease and Systems Theory. An Ecological View

• reminds us of the pathologies of epistemology that may preclude learning from our relationship with Covid-19. • offers us a way to examine the relationship between an uninvited guest like Covid-19 guests and hosts (human beings) particularly in the light of Rumi’s formulation of being human, namely, as being a “guest house”. While we may never get to a place where we invite Covid-19 into our lives, we can at least respect the fact that it will exist in our lives, as afflictions do, and with this awareness we can begin to find ways to co-exist with it, in the same way that we must do with all other creatures and nature on our only home – Mother Earth. • opens us to telling a story about our afflictions in ways that are uniquely shaped by such afflictions. In this regard the authors examine several human responses (stories) to Covid-19 within the context of our system that continues to change and evolve. • uncovers the need to recover from our state of addiction to a state of sobriety. The state of sobriety returns us to an awareness that we cannot just do one thing because each movement or perturbation necessarily resonates throughout the system. • allows us to shift to an ecological rather than a solely political or economic view of Homo Sapiens. This ecological shift moves us into a moral/ethical realm (we use them interchangeably here) whereby humankind learns to abide by another law. It is a law that is itself punctuated by the distinction between control and restraint. The punctuation of this distinction enables us to become more aware of our attempts to establish a unilateral control over Pandemic Disease and Systems Theory: An Ecological View