Miracle-dz/UniFAR-FTUs huggingface dataset:
Conceptual and technical improvement of the reverse Monte Carlo algorithm

We performed Metropolis Monte Carlo and a comprehensive set of reverse Monte Carlo simulations using the same Lennard-Jones liquid to analyze the algorithmic correctness of the latter method. We found that the present reverse Monte Carlo technique is biased because it samples relatively disordered arrangements more often than ordered ones, which leads to a poor acceptance ratio and questionable relevance to the structure of the real system. On the basis of our results, we propose changes in the algorithm. To remove the deficiency we applied a combined acceptance criterion, which in addition to the very restrictive difference minimization procedure, uses an entropy related factor to select from the possible configurations. Further improvement can be achieved if the simulations are performed on the structure factor and the radial distribution function simultaneously. If the radial distribution function is the target function, incorporation of the r-dependent measurement error in the acceptance criterion is .
Noninvasive detection of glucose concentration by differential absorption OCI with two wavelengths

We present a new method of glucose concentration detection with a differential absorption optical low-coherent interferometry (DAOCI) technique. In our system, we uses two OCI signals recorded by turns in one period with the same detector. Two different light sources are selected corresponding to the different absorption coefficient of the glucose absorption band. The ratio of the two intensities depends on the concentration of the glucose in samples. With the known difference in the absorption cross section or experimental data, it is possible to calculate the mean glucose concentration of samples. In our experiment, we measured a series of glucose solution in a cuvette, and the systemic resolution we got is 16.14mg/dL which achieves the required accuracy(20mg/dL) for practical application. The results prove the feasibility of this method to be used for no-invasive detection of glucose in the aqueous humor.
Wind-Aided Flame Spread Along a Horizontal Fuel Slab

Abstract The American Society of Testing and Materials test E84 is widely employed in North America to characterize the rate of flame spread along samples of material proposed for use in construction of buildings; by this test, materials, in part, are qualified with respect to fire safety for classes of application. In this ten-minute-duration test, an 8 meter slab of the material comprises the ceiling of a sealed duct (termed a Steiner tunnel) through which hot vitiated air (up to about 1150 K) flows after time zero at about 1.2 m/s. Materials are rated according to the distance from the leading edge that the wind-aided flame propagates (or, alternatively for samples that become totally involved, by the elapsed time to flameover at the downwind end). An unsteady two-spatial-dimensional model of this test has been undertaken, as a first step toward the goal of anticipating behavior of a sample from knowledge of its chemical and physical properties. In the formulation, at any fixed position along the sampl.
Displacement field induced by a vacancy in nickel and some implications for the solubility of hydrogen

The displacement field induced by a vacancy in nickel and its possible implications for the hydrogen solubility in the interstitial sites is investigated up to 1100 K. The displacement field is extracted from our previous atomistic-scale density functional theory calculations and is compared with continuous isotropic models with and without image forces due to the distribution of the defects. This procedure put in forward the contribution of the elastic anisotropy and the vacancy concentration on the elastic displacement field. Then, we calculate the dilatation of the interstitial sites due to the presence of the defect and the local hydrostatic stress acting on them. This local hydrostatic stress modifies the hydrogen solubility in the interstitial sites. Elastic distortions contribute to reduce the local solubility inside the vacancy core and the opposite out of it. Finally, we extract the elastic contribution of the trapping energy of hydrogen in the displacement field of the vacancy. We find that the elastic energy is significant only for the closest interstitial sites of the defect core and limits the attractive electronic contribution to the trapping energy. In addition, we show that the elastic anisotropy and the vacancy concentration have moderate effects on the local solubility in the displacement field close to the defect core.
Water flow patterns and pesticide fluxes in an upland soil in northern Thailand

Rapid percolation of water through soil facilitates both the recharge and the contamination of groundwater reservoirs. We have studied the variation of water flux and pesticide leaching through a soil in northern Thailand. At a depth of 55 cm, two pits were equipped with tensiometer‐controlled glass suction lysimeters that were connected to a novel on‐line solid‐phase extraction device. Nine insecticides varying in water solubility from 10−2 to 10+6 mg l−1 were applied on the soil surface, and leaching was monitored for 8 weeks. Measured water fluxes were compared with simulated values. Total recovery ranged from traces (malathion, triazophos) to 1.3% (dimethoate) of the applied amount, showing a decreasing retardation with increasing polarity of the substances. All pesticides were detectable in the soil solution during the first rain after application. Due to fingering, 83% of the leachate was transported through 38% of the area at leaching rates of < 2 mm per day. A new adaptation of the Simpson Index revealed that the diversity of the flow pattern increased exponentially with decreasing rates of seepage water flux (R2 = 0.80). No such correlation was found when leaching was faster, indicating that the flow pattern switched from a fingering‐ to a matric‐dominated flux. No long‐term leaching of insecticides was observed. The two profiles studied behaved similarly in terms of both water and pesticide transport. Therefore we suggest that the flow pattern is a stable property of the soil that can be accurately described by our combination of novel experimental setup and statistical analysis of the flow field.
A CLAY-METAL COMPLEX ULTRATHIN FILM AS PREPARED BY THE LANGMUIR-BLODGETT TECHNIQUE

A clay-metal complex hybrid film with the thickness of 5.0 ± 1.0 nm was prepared by the Langmuir-Blodgett technique. According to the method, a hectorite clay dispersed in an aqueous subphase was adsorbed by a cationic monolayer of amphiphilic Ru(II) complex. The surface structure of a film deposited onto a hydrophilic glass plate was studied with an atomic force microscope (AFM).
Advances in Modeling of New Phase Growth

The growth of the stationary new phase formed from supersaturated liquid has a significant role in many areas, such as the growth of bubbles in heavy oil and the growth of crystalline solids in hydrate engineering. The simplified governing equations for new phase growth in a solution have been formulated and solved for a single nucleate, assuming that mass transfer is the rate-limiting step. This problem is of interest to the heavy-oil solution gas drive process and gas transportation. Applications to the growth of the hydrate as a new phase in a hydrate-water slurry and bubble as a new phase in heavy oil were shown. It can also be applied to the analysis of the growth of a stationary gas bubble as a result of the mass transfer of one component from the liquid to the gas forming the bubble. The growth behavior of a single nucleate is needed in order to study population growth.
Spatial temperature oscillations during hydrogen oxidation on a nickel foil

Temperature waves were observed on the surface of a nickel disk on which oxidation was carried out. The temperature front moved at a velocity of about 1 cm/s and had a width of about 1 cm. Complex dynamic local temperatures of overall reaction rate may be due to interaction among temperature waves triggered at different positions rather than an exotic reaction mechanism.
THz Spectroscopy, Holographic Approach and Phantoms Design for the Diagnostics of Socially Significant Diseases

This work describes the promising approach for the diagnostic of diseases, such as diabetes, by using the THz spectroscopy and THz holography method. In this paper, dry pellets consisting of human blood plasma (normal and diabetic) were designed; these objects were analyzed in various THz Russian laboratories, PCA-analysis of THz spectra was applied to separate the normal and diabetic groups; the holographic approach was proposed that provides sufficient information to reconstruct the spatial distribution of complex refractive index of the samples.
Magnetoresistance and Hall effect in thin metal foils and films

Soffer's angular-dependent model of the scattering of electrons at a metal surface is applied to both the longitudinal and the transverse magnetoresistance of thin foils and films. In the transverse case the Hall effect is also evaluated. The results of these calculations are presented in graphical form. For the case of a longitudinal field the results are very similar to those obtained by Way and Kao using the Fuchs model of surface scattering. In the case of the field transverse to the current and normal to the plane of the sample, oscillations in conductivity as a function of magnetic field are found which, although similar to Sondheimer's results based on the Fuchs model, differ in the interesting regime of thin, rough samples at low magnetic fields. Furthermore, while the Hall coefficient shows the Sondheimer plateau behaviour at low fields, its variation at higher fields is significantly different.
A Novel Power Efficient CP Block Selection Procedure for Delay- Tolerant Services to Handle CP Outages in 5G and Beyond

3GPP has proposed implement Control Plane (CP) block functions now implemented as a software entity, when some of these functions go for an upgrade, it requires to purge all the connections. This leads to reattach procedure for all the User Equipments (UEs) that are attached to updating CP and hence UE power consumption and spectrum wastage. In this paper, we propose to exploit the nature of services, such as Guaranteed Bit Rate (GBR) and Best Effort (BE), to select the CP in the case of CP software upgrades. We also propose an algorithm to exploit the delay-tolerant nature of the BE services to save the power consumption and time to reestablish the connection during CP software upgrade. To achieve this, we propose to save the UE's context, exploiting BE services, in the CP, and use it once CP is upgraded. To maintain the timed recovery of such UEs, we have also introduced a stale timer, which is maintained between CP, UP, and UE. When the stale timer expires, the UE will be attached to another available CP. With extensive simulation, we have demonstrated that there exists an optimal timer value to obtain the best results. We have observed that the proposed method provides better results at the optimal stale timer value than that of the existing method to reestablish the connection.
HPLC DETERMINATION OF CLOBETASOL PROPIONATE IN COSMETIC PRODUCTS

A simple and rapid HPLC method for the determination of clobetasol 17-propionate in cosmetic formulations, with antidranduff and antiseborrheic activity, has been developed. The chromatographic separation was carried out on a 5 μm Purospher-Lichrocart column using water-acetonitrile (40:60, v/v) as the mobile phase and UV detection at 237 nm. The extraction procedure has been validated analysing samples spiked with known amounts of the active principle. The recoveries were greater than 94% and the reproducibility was within 3.0%.
Environmental Feasibility of the Recycling of Carbon Fibers from CFRPs by Solvolysis Using Supercritical Water

Originally developed for high-tech applications in the aeronautic and aerospace industry, carbon/epoxy composites have been increasingly used in the automotive, leisure, and sports industries for several years. Nevertheless, the carbon reinforcement is an expensive constituent, and it has been recently shown that it is also the most environmentally impacting in a composite part manufacturing. Recycling these materials (even restricted to the reinforcement recovery) could lead to economic and environmental benefits, while satisfying legislative end-of-life requirements. The solvolysis of the matrix by water under supercritical conditions is an efficient solution to recover the carbon fiber reinforcement with mechanical properties closed to the ones of virgin fibers. This paper aims at demonstrating the environmental feasibility of the recycling of carbon fiber/thermoset matrix composites by solvolysis of the matrix in supercritical water. This demonstration is based on life cycle assessment that evaluates .
Don’t fear the meter: How longer time limits bias managers to prefer hiring with flat fee compensation

Time limits and deadlines are pervasive in organizational settings. Managers work undertime limits themselves and also manage time limits for others. While the motivationaleffect of time limits on individual and group performance has been studied extensively,little is known about how time limits shape people’s reasoning about others’ behavior anddecisions based on such reasoning. We investigate the effect of time limits on managers’beliefs about productivity and consequent contract choices for hiring temporary workersusing incentive-compatible games. We find a biased preference among managers forflat-fee (vs. time-metered) contracts, particularly under longer time limits, resulting inlost earnings for managers. The sub-optimal contract choices occur because of a bias inestimates of task completion time and are not explained by normative risk preferences orinformation conveyed by time limits. The bias is observed regardless of whether taskquality is fixed or variable, and persists for experienced managers.
Theoretical Study of Dissolved Gas at a Hydrophobic Interface

In this work, the classic density functional approach is applied to describe the interfacial structure and properties of the dissolved gas and liquid in the presence of a hydrophobic wall. In the theoretical approach, the modified fundamental measure theory is adopted for the hard-sphere reference term, and the weighted density approximation is applied for the attractive term. The vapor–liquid phase coexistence curve and the interfacial tensions of Lennard-Jones binary mixtures are first calculated. The results are in good agreement with the corresponding simulation data, indicating that the approach is suitable to study the inhomogeneous properties of fluid mixtures. The density profiles of dissolved gas and liquid in the vicinity of the hydrophobic surface are then calculated. It is shown that distinctive gas enrichment and liquid depletion occur in the interfacial region, and the effects can be reinforced as the dispersion potential and molecule diameter of the gas increase. Based on the supersaturatio.
Microalgae pigment with possible anti-caries activity: In silico evidences

Microalgae such as Spirulina (Arthrospira) platensis are the source of several bioactive compounds. C-phycocyanin (C-PC) is one of these compounds and has been widely used in the food industry. Caries disease is multifactorial and causes destruction of dental tissues. The lesions are sugar dependent, with sucrose being the most cariogenic sugar, which is metabolized by bacteria that cause caries. Thus, our objective was to verify through molecular docking the possible binding of C-PC with sucrose and thus create the possibility of adding C-PC in a mouthwash (which enhances the elimination of sucrose from the dental surface). We used the UFSC Chimera for removing heteroatoms from C-PC, AutoDock Tools for preparing protein (C-PC) and ligand (sucrose), AutoDock Vina for docking simulation, PyMol for viewing and converting files and, finally, the LigPlot+ to check the types of bonds between molecules. The C-PC and sucrose connected with a free bonding energy of -7.0 Kcal/mol. In addition, the molecules established 08 hydrogen bonds and 07 hydrophobic interactions. Our results demonstrate the potential for sucrose sequestration of C-PC and the possibility of adding C-PC in a mouthwash as an aid to dental cleaning and caries preventing.
Review: “Transforming school students’ aspirations into destinations through extended interaction with cutting-edge research: “Physics Research in School Environments””

Abstract. We introduce a scalable framework for protracted research-based engagement with schools called Physics Research in School Environments (PRiSE) which has transformed cutting-edge space science, astronomy, and particle physics into accessible 6-month independent research projects for schools. The programme's theory of change presents how PRiSE aims to impact on a diverse range of 14–18 year-old students, supporting and enhancing their physics aspirations, as well as influencing teachers' practice and their school environments to potentially enable wider impacts. We explore the considerations made in developing the programme to help enact these theorised changes, in particular detailing the structure, support, and resources offered by active researchers as part of PRiSE. Through feedback from participating students and teachers, we assess the provision within this framework. This illustrates that the model appears to provide highly positive experiences that are otherwise not accessible to schools and that the extraordinary level of support offered is deemed necessary with all elements appearing equally important. Researchers and public engagement professionals seem receptive to the PRiSE framework of schools engagement and it has started to spread to other institutions.
Early Age Shrinkage Behavior of Triple Blend Concrete

The early age shrinkage is responsible for the early age cracking of concrete. It is very critical for durability of concrete. The change in volume of concrete due to evaporation of water or dehydration process is known as shrinkage. To reduce the early age shrinkage utilized the supplementary cementitious material (SCM) in concrete. In present research industrial and agricultural waste byproduct like fly ash (FA) and rice husk ash (RHA) along with cement were used as SCM. The triple blend concrete was prepared by the combination of 20%, 30% and 40% partial cement replacement with FA and RHA for 0.30, 0.35 and 0.40 water-cement ratio. The concrete samples were tested by advanced instrument as shrinkage cone meter were used for measure the shrinkage. The result shows that the early age shrinkage reduced with increasing the SCM content. The microstructure characteristics enhanced with raising the content of FA and RHA up to 30% replacement; that was due to the dense particle packing.
Gender Differences in Pelvic and Lower Limb Kinematics during Walking in People with Chronic Low Back Pain

Mohammad Reza N. Gender Differences in Pelvic and Lower Limb Kinematics during Walking in People with Chronic Low Back Pain a The link between modified pelvic and lower limb range of motion (ROM) and LBP may vary by gender. Therefore, the purpose of this study was to explore gender differences in pelvic and lower limb kinematics during walking in people with chronic low back pain. Participants included 20 individuals with chronic LBP (10 males). Pelvic and lower limb kinematics was tracked using a seven-camera motion capture system. One-way ANOVA was conducted to compare the range of motion of pelvis, hip, knee and ankle joints during walking between males and females. Male group showed less pelvic (P= 0/02) and ankle (P= 0/03) ROM in sagittal plane compared to female. Additionally, male displayed more ankle ROM in transverse plane (P= 0/01) in comparison with female. Males with LBP displayed less motion in the sagittal plane and more motion in the transverse plane in the dominant limb in comparison with females. Therefore, gender specific design of interventions for pelvic and lower limb should be considered to improve CLBP. Abbreviations: CLBP: Chronic Low Back Pain; ROM: Range of Motion; LBP: Low Back Pain; Left Posterior Superior
The Effect of Compatibilizer on the Mechanical Properties and Compression Set of NBR/EPDM Composite

The mechanical properties of the materials are important to be studied to get the usage information of the material. The NBR/EPDM (Nitrile Butadiene Rubber/Ethylene Propylene Diene Rubber) composite is widely used as seal, gasket, and hose because of their excellent properties. This research used compatibilizer in the blending process of NBR/EPDM. This research aimed to study the effect of some compatibilizer on the mechanical properties and compression set of the NBR/EPDM composite. The compatibilizers used in this research were methyl-methacrylate-butadiene-styrene (MBS), montmorillonite (MMT), and silica. The hardness, tensile strength, elongation at break, tear strength, and compression set of the composites were studied using hardness tester, tensile strength tester, and compression set tester. The research showed that montmorillonite as compatibilizer gave the best hardness, tensile strength, tear strength, elongation, and compression set. The aging increased the hardness and the compression set of NBR/EPDM. However, the aging decreased the tensile strength, tear strength, and elongation at break of NBR/EPDM. Montmorillonite was a suitable compatibilizer for improving the mechanical properties and compression set of NBR/EPDM composite
COVID-19 vaccine safety considerations

The SARS-CoV-2 pandemic has produced global health and economic adverse impacts. The main measures being taken to control the spread of SARS-CoV-2 and of the virus-associated diseases (COVID-19) are conceptually those that were taken to control the spread of SARS-CoV in the previous coronavirus-driven pandemic of 2002-2003: good hygiene, facemasks, and quarantine (lockdown). The difference is the larger scale of these measures for SARS-CoV-2. A degraded/dysfunctional immune system appears to be the main determinant of serious/fatal reaction to viral infection (for COVID-19, SARS, and influenza alike). There are four major approaches being employed or considered presently to augment or strengthen the immune system, in order to reduce adverse effects of viral exposure. The three approaches that are focused mainly on augmenting the immune system are based on the concept that pandemics can be controlled/prevented while maintaining the immune-degrading lifestyles followed by much of the global population. The fourth approach is based on identifying and introducing measures aimed at strengthening the immune system intrinsically in order to minimize future pandemics. the four least of delta1-H1N2 influenza A virus (IAV) challenge of after (H1N1pdm09) recombinant (HA) vaccine (HA-SV) virus (LAIV) vaccine, the role of to HA in of Both HA-SV and LAIV high neutralizing to virus with homologous (H1N1pdm09), but not heterologous challenge virus (delta1-H1N2). partially protected reduced virus shedding and faster viral as no in post infection (dpi). HA-SV vaccinated severe and tracheal with following