Miracle-dz/UniFAR-FTUs huggingface dataset:
Characterisation of the Molecular Mechanism of Permeation of the Prodrug Me-5ALA across the Human Stratum Corneum Using Molecular Dynamics Simulations

The barrier imposed by the outer layer of the skin, the stratum corneum, creates an almost impermeable environment for exogenous substances. Few lipophilic drugs with low molecular mass can passively diffuse through this layer, highlighting the need to develop methods to enable the delivery of more drugs via the transdermal route. The prodrug approach involves modifying the structure of a drug molecule to enhance its permeability across the skin, but it is often difficult to predict how exactly changes in chemical structure affect permeation. This study uses molecular dynamics simulations to predict permeability values and adequately characterise the molecular mechanism of permeation of the prodrugs Me-5ALA and its parent compound 5ALA across a molecular model of the lipid bilayers of the human stratum corneum. The influence of increased hydrophobicity in Me-5ALA on its permeation revealed a reduction in hydrogen bonding capability that enables it to interact more favourably with the hydrophobic region of the bilayer and diffuse at a faster rate with less resistance, thus making it a better permeant compared to its more hydrophilic parent compound. This molecular simulation approach offers a promising route for the rational design of drug molecules that can permeate effectively across the stratum corneum.
Intercomparison of Variational Data Assimilation and the Ensemble Kalman Filter for Global Deterministic NWP. Part II: One-Month Experiments with Real Observations

Abstract An intercomparison of the Environment Canada variational and ensemble Kalman filter (EnKF) data assimilation systems is presented in the context of producing global deterministic numerical weather forecasts. Five different variational data assimilation approaches are considered including four-dimensional variational data assimilation (4D-Var) and three-dimensional variational data assimilation (3D-Var) with first guess at the appropriate time (3D-FGAT). Also included among these is a new approach, called Ensemble-4D-Var (En-4D-Var), that uses 4D ensemble background-error covariances from the EnKF. A description of the experimental configurations and results from single-observation experiments are presented in the first part of this two-part paper. The present paper focuses on results from medium-range deterministic forecasts initialized with analyses from the EnKF and the five variational data assimilation approaches for the period of February 2007. All experiments assimilate exactly the same ful.
Protection Schemes in HPON Networks Based on the PWFBA Algorithm

In this paper, possibilities for network traffic protection in future hybrid passive optical networks are presented, and reasons for realizing and utilizing advanced network traffic protection schemes for various network traffic classes in these networks are analyzed. Next, principles of the Prediction-based Fair Wavelength and Bandwidth Allocation (PFWBA) algorithm are introduced in detail, focusing on the Prediction-based Fair Excessive Bandwidth Reallocation (PFEBR) algorithm with the Early Dynamic Bandwidth Allocation (E-DBA) mechanism and subsequent Dynamic Wavelength Allocation (DWA) scheme. For analyzing various wavelength allocation possibilities in Hybrid Passive Optical Networks (HPON) networks, a simulation program with the enhancement of the PFWBA algorithm is realized. Finally, a comparison of different methods of the wavelength allocation in conjunction with specific network traffic classes is executed for future HPON networks with considered protection schemes. Subsequently, three methods are presented from the viewpoint of HPON network traffic protection possibilities, including a new approach for the wavelength allocation based on network traffic protection assumptions.
Merging of Data on NMC, Octagonal and Mercator Grids for Hemispheric Analysis

Abstract Time and zonally averaged grid-point and spectral domain statistics calculated from NMC analyses of wind and temperature which are used as input for the NMC temperate latitudes and tropical operational forecast models have been compared in the overlap zone 2IN to 33N for the periods 00 GMT 1–15 August 1970 and 00 GMT 3–17 January 1971 at 700 mb and 300 mb and have been compared with pertinent general circulation data published by Oort and Rasmusson (1971) for the months of August and January. It was desired to find the best 6° latitude ring within the zone studied in which to merge the two analyses to obtain a horizontally continuous hemispheric data field, with merging to occur in the same latitude ring in the vertical and for both wind and temperature. Considerable discrepancy between the representation of the same wind and temperature observations by the two analyses is possible at all latitudes, particularly 21N to 30N and in the January period. Due to the discrepancies which were seen, the c.
Pointing control system for the Eclipse mission

This paper describes the high precision pointing control system for the Eclipse telescope. Eclipse is a mission under study at the Jet propulsion Laboratory. Eclipse is a space telescope that uses a coronagraph for high-contrast optical astronomy to study planets around nearby stars. Eclipse observations require very precise pointing, 0.01 arcseconds (3- σ) during the exposure periods that could be as long as 1000 seconds. This study shows a two layer pointing approach for achieving these requirements. In the first layer, the spacecraft ACS stabilizes the line-of-sight to 0.15 arcseconds (3- σ). In the second layer, a Fine Steering Mirror centers the star in the occulting mask to the 0.01 arcseconds (3-σ). The knowledge needed to achieve the desired pointing accuracy is provided by a Fine Guidance Camera. In addition, structural and thermal induced jitter is minimized by design, and through the use of reaction wheel isolators and operational constraints.
Myocardial strain analysis of echocardiography based on deep learning

Background Strain analysis provides more thorough spatiotemporal signatures for myocardial contraction, which is helpful for early detection of cardiac insufficiency. The use of deep learning (DL) to automatically measure myocardial strain from echocardiogram videos has garnered recent attention. However, the development of key techniques including segmentation and motion estimation remains a challenge. In this work, we developed a novel DL-based framework for myocardial segmentation and motion estimation to generate strain measures from echocardiogram videos. Methods Three-dimensional (3D) Convolutional Neural Network (CNN) was developed for myocardial segmentation and optical flow network for motion estimation. The segmentation network was used to define the region of interest (ROI), and the optical flow network was used to estimate the pixel motion in the ROI. We performed a model architecture search to identify the optimal base architecture for motion estimation. The final workflow design and associated hyperparameters are the result of a careful implementation. In addition, we compared the DL model with a traditional speck tracking algorithm on an independent, external clinical data. Each video was double-blind measured by an ultrasound expert and a DL expert using speck tracking echocardiography (STE) and DL method, respectively. Results The DL method successfully performed automatic segmentation, motion estimation, and global longitudinal strain (GLS) measurements in all examinations. The 3D segmentation has better spatio-temporal smoothness, average dice correlation reaches 0.82, and the effect of target frame is better than that of previous 2D networks. The best motion estimation network achieved an average end-point error of 0.05 ± 0.03 mm per frame, better than previously reported state-of-the-art. The DL method showed no significant difference relative to the traditional method in GLS measurement, Spearman correlation of 0.90 (p < 0.001) and mean bias −1.2 ± 1.5%. Conclusion In conclusion, our method exhibits better segmentation and motion estimation performance and demonstrates the feasibility of DL method for automatic strain analysis. The DL approach helps reduce time consumption and human effort, which holds great promise for translational research and precision medicine efforts.
Current pharmacological strategies for symptomatic reduction of persistent breathlessness – a literature review

ABSTRACT Introduction Persistent breathlessness is a debilitating symptom that is prevalent in the community, particularly in people with chronic and life-limiting illnesses. Treatment includes different steps, including pharmacological treatment aiming to improve the symptom and optimize people’s wellbeing. Areas covered PubMed and Google Scholar were screened using ‘chronic breathlessness’ OR ‘persistent breathlessness,’ AND ‘pharmacological treatment,’ OR ‘opioids. ’ This review focuses on pharmacological treatments to reduce persistent breathlessness and discusses possible mechanisms involved in the process of breathlessness reduction through pharmacotherapy. Research gaps in the field of persistent breathlessness research are outlined, and future research directions are suggested. Expert opinion Regular, low-dose (≤30 mg/day), sustained-release morphine is recommended as the first-line pharmacological treatment for persistent breathlessness. Inter-individual variation in response needs to be investigated in future studies in order to optimize clinical outcomes. This includes 1) better understanding the centrally mediated mechanisms associated with persisting breathlessness and response to pharmacological therapies, 2) understanding benefit from the perspective of people experiencing persistent breathlessness, small and meaningful gains in physical activity.
The targeted heating and current drive applications for the ITER electron cyclotron system

A 24 MW Electron Cyclotron (EC) system operating at 170 GHz and 3600 s pulse length is to be installed on ITER. The EC plant shall deliver 20 MW of this power to the plasma for Heating and Current Drive (H&CD) applications. The EC system is designed for plasma initiation, central heating, current drive, current profile tailoring, and Magneto-hydrodynamic control (in particular, sawteeth and Neo-classical Tearing Mode) in the flat-top phase of the plasma. A preliminary design review was performed in 2012, which identified a need for extended application of the EC system to the plasma ramp-up, flattop, and ramp down phases of ITER plasma pulse. The various functionalities are prioritized based on those applications, which can be uniquely addressed with the EC system in contrast to other H&CD systems. An initial attempt has been developed at prioritizing the allocated H&CD applications for the three scenarios envisioned: ELMy H-mode (15 MA), Hybrid (∼12 MA), and Advanced (∼9 MA) scenarios. This leads to the .
URANS simulation of flow over smooth topography

An Unsteady Reynolds‐Averaged Navier‐Stokes (URANS) equation method has been applied to compute the flow over two‐dimensional smooth topography and compared with conventional RANS and large‐eddy simulation (LES) results. The URANS calculation with sufficient grid resolution near solid surface and an appropriate near‐wall model has been shown to simulate much of the large‐scale unsteadiness and some of the turbulent motion for flows with and without separation. Although the results with unadjusted model constants do not show an overwhelming improvement over a standard two‐equation model, it is demonstrated that it may be improved and, more importantly, can be generalized to a new simulation technique by refining the model, considering such factors as grid‐dependent length scales and by making a three‐dimensional calculation.
Reflection anisotropy spectroscopy of the Na/Cu(110)(12) surface reconstruction

The optical technique of reflection anisotropy spectroscopy (RAS) has been used to study the $\mathrm{Cu}(110)\ensuremath{-}(1\ifmmode\times\else\texttimes\fi{}2)$ surface reconstruction induced by Na adsorption. Room temperature deposition of submonolayer coverages of Na onto the Cu(110) surface results in the $(1\ifmmode\times\else\texttimes\fi{}2)$ reconstruction and is known to induce energy shifts in both the occupied and unoccupied surface states at the $\overline{Y}$ point on Cu(110). Transitions between these surface states have been associated with a peak observed at 2.1 eV in the RA spectrum. We report RAS studies of the reconstruction and relate changes in the RA spectra at 2.1 eV to changes in the surface states induced by Na adsorption.
Sexting motives and sexting behavior among emerging adults in Malaysia during the COVID-19 pandemic lockdown

Abstract Sexting behavior is a contemporary form of sexual expression where people can send, receive, and exchange sexually suggestive content online. The COVID-19 pandemic lockdown has greatly exposed emerging adults to sexting behavior. The present study aimed to examine the level of engagement in sexting behavior and the sexting motives (intimacy, enhancement, self-affirmation, coping, peer pressure, partner approval) among emerging adults in Malaysia during the pandemic lockdown period. Men and individuals in a relationship were previously observed to have reported a higher engagement in sexting. Therefore, the present study also investigated the differences in gender and relationship status in sexting behavior. A cross-sectional quantitative study was adopted to recruit 252 emerging adult respondents (M age = 22.84, SD age = 2.05, females = 53.1%) through a purposive sampling method. The descriptive statistics indicated that nine in 10 emerging adults sexted and that an independent t-test depicted men and individuals in relationships being more likely to engage in sexting behavior. The hierarchical linear regression too showed that sexting motives of intimacy, enhancement, peer pressure, and partner approval contributed to a higher level of sexting behavior. Overall, the results may serve as resourceful input for future revisions and implementation of sexual reproductive health education.
Gender differences in the characteristics of gaming and esport aspirations in Hungary

ABSTRACT In our paper, we present the research findings of our empirical survey conducted in Hungary related to the gender differences in the use, motivations, habits, and aspirations in video games and esports. The most important theoretical foundations of our research are provided by the critical feminist theory and, within that, the critical agenda and the feminist cultural studies (Birrell, 2000). These writings raise awareness of the fact that sport still has extremely masculine dimensions that have preserved the original uneven distribution of power for centuries. We consider esports as such a domain. Our research question relates to the gender proportions in video gaming, and we include the characteristics of the games played and the motivations of the players in our observations. In order to achieve the desired data, an online inventory was used (N = 338). Our results highlight that although modernisation and technical development profoundly transformed and determined our daily life, including our attitude to free time and sports, regardless of gender, social and geographical situation, the changes at the same time bring about certain forms of inequalities.
Structural design method of integrated optical gyroscope based on particle swarm algorithm

Coupled resonant optical waveguide (CROW) gyroscope is an important type of integrated optical gyroscope based on Sagnac effect. However, the traditional CROW design method relying on empirical adjustment of parameters is deficient in achieving its best capability and the poor Sagnac effect of micro-scale devices leads to unsatisfactory performance of integrated devices. Therefore, the present study proposes a new approach to design CROW gyroscope by applying intelligent optimization algorithm (PSO: particle swarm algorithm) to design CROW gyroscope. Three aspects of work will be explored: Firstly, a new evaluation index is proposed to evaluate the efficiency of integrated optical gyroscope area utilization (EGA). Secondly, The performance limits for different losses and the accuracy limits and related parameters that can be achieved by increasing the resonator area at different losses are also explored. Finally, we designed theoretical performance (The angle random walk) up to 29. 1𝑑𝑒𝑔/√ℎ and only 1mm × 1mm in size.
Human safety and security for sustainable and inclusive settlements

The 2030 Agenda for Sustainable Development was adopted by all member states of the United Nations (UN) in 2015. One year later, Habitat III, the first UN global summit to adopt the sustainable development agenda, took place in Quito, Ecuador. Habitat III served as a forum for discussing the planning and management of human settlements for promoting sustainability. Global stakeholders are increasingly acknowledging that Agenda 2030 must embrace people-centred approaches to address the interconnectivity of today’s challenges in order to deliver its transformative promise to human settlements. To this end, human safety and security, which is concerned with whether people live in conflict or peace, provides an effective programming framework for promoting inclusive and sustainable human settlements. This paper explores the nexus between human security and the sustainable development of human settlements. Drawing on a broad range of literature, the paper begins by considering the conceptual basis of sustainable development through the lens of inclusivity. This is followed by a detailed explanation of why human security is central to promoting the sustainability of settlements. The paper also offers some insight into measuring and modelling human security for the purpose of sustainable settlement programming. The paper concludes by offering some thoughts about why statutory public safety stakeholders should work with communities and civil society in order to secure and sustain positive gains for human settlements.
Efficient weed management in groundnut (Arachis hypogaea) through appropriate herbicides

A field experiment was conducted during 2017–18 and 2018–19 in kharif season at Instructional Farm of Krishi Vigyan Kendra, Chhatarpur to study the suitable herbicides for effective management of weed flora of groundnut crop. Randomized block design was used with 4 replications consisting of 7 treatments as detailed in methodology. The results showed that combination of two compatible herbicide molecules like Imazethapyr 100 g a.i./ha + Quizalofop @37.5 g a.i/ha were quite effective against dominated mixed weed flora in groundnut, resulting in higher WCE, WCI, yield and economic net return (93.63%, 93.57%, 16.2 q/ha and `44655/ha) fb use of Imazethapyr @100 g a.i./ha + Fenoxaprop @37.5 g a.i/ha (90.44%, 90.5% 15.2 q/ha and `39380/ha respectively) as compared to control plot. Therefore, above herbicides will be better alternative for suppressing weed flora in the groundnut crop than the sole herbicide.
Positronium-atom scattering

Calculations of total cross sections for Ps(1 s) scattering by atomic hydrogen, helium, and argon are reported for the energy range 0–150 eV. The results for atomic hydrogen have been evaluated exactly within the first Born approximation. For collisions with helium and argon in which the target remains in its initial state (so called target elastic collisions) it is assumed that the positronium scatters off a frozen target atom and a coupled positronium pseudostate approximation is then used to calculate the cross sections. For collisions in which the target atom is excited or ionized (target inelastic collisions) the first Born approximation is adopted. Here there is a significant problem in summing over all final states of the target and for this a scheme due to Hartley and Walters has been employed. It is found that for the light targets, hydrogen and helium, target inelastic collisions become dominant above 45 and 105 eV, respectively, while for the heavier argon atom, target elastic scattering is alw.
Complicated Case of Multidrug-Resistant Tuberculosis with Multiple Comorbidities, Successfully Treated After Several Treatment Modifications

A 59-year-old man with relapsed pulmonary TB developed rifampin resistance. He presented with chronic untreated hepatitis B, which developed into liver cirrhosis, type 2 diabetes with diabetic retinopathy, and osteoarthritis of right knee. His initial MDR regimen included levofloxacin, cycloserine, bedaquiline, linezolid, and high-dose isoniazid. He developed episodes of linezolid-induced myelosuppression, resulting in temporary discontinuation and dose reduction, and ultimately, substitution of linezolid. On the seventh month of treatment, he developed severe depression with visual hallucination, resulting in cycloserine dose reduction. We maintained the principle of at least 4 active drugs throughout his treatment. He was considered cured after 26 months of treatment.
Multifocal and combined diffractive elements

A method to compute diffractive elements focusing in a set of lines located in different focal planes along the optical axis is considered. A phase nonlinearity is applied to the phase function of a focusator in a line. It is proven that the selection of the nonlinearity is reduced to the problem of the phase diffraction grating with pre-set energy distribution in the orders. Combined multi-focal elements to focus in two sets of lines simultaneously are considered as well; the first consists of lines located in one plane and the second of lines located in different focal planes along the optical axis.
Handgrip strength and body mass index in Polish and Croatian
female university students of preschool and primary education

Introduction: Recent years have seen a decrease in muscle strength, which may lead to sarcopaenia, and may be associated with a risk of diseases of affluence and premature mortality. Grip strength measurement in young adults is particularly important for teachers because it determines how effectively they are able to perform their duties. Aim of the research: To determine the relationship between handgrip strength (HGS) and normalised grip strength (NGS) and body mass index (BMI) in female university students. Material and methods: The study participants comprised 231 young women from Poland and Croatia. Their handgrip strength was measured, and their BMI and NGS were calculated. Differences between groups of students from Poland and Croatia were determined using Student’s t -test. The relationships between HGS and NGS and somatic traits and BMI were assessed using the Pearson’s correlation coefficient. Differences between BMI categories were assessed using one-way ANOVA. Results: Mean HGS among the participants from Poland and Croatia equalled 29.9 ±4.75, and mean NGS equalled 0.49 ±0.13. Both HGS and NGS among all participants from Poland and Croatia showed a statistically significant correlation with body height, body mass