Miracle-dz/UniFAR-FTUs huggingface dataset:
Cheminformatics identification of phenolics as modulators of penicillin binding protein (PBP) 2x of Streptococcus pneumoniae towards interventive antibacterial therapy

Infections caused by multidrug-resistant Streptococcus pneumoniae remain the leading cause of pneumonia-related deaths in children < 5 years globally, and mutations in penicillin-binding protein (PBP) 2x have been identified as the major cause of resistance in the organism to beta-lactams. Thus, the development of new modulators with enhanced binding of PBP2x is highly encouraged. In this study, phenolics, due to their reported antibacterial activities, were screened against the active site of PBP2x using structure-based pharmacophore and molecular docking techniques, and the ability of the top-hit phenolics to inhibit the active and allosteric sites of PBP2x was refined through 120 ns molecular dynamic simulation. Except for gallocatechin gallate and lysidicichin, respectively, at the active and allosteric sites of PBP2x, the top-hit phenolics had higher negative binding free energy (ΔGbind) than amoxicillin [active site (−19.23 kcal/mol), allosteric site (−33.75 Kcal/mol)]. Although silicristin had the best broad-spectrum effects at the active (−38.41 kcal/mol) and allosteric (−50.54 kcal/mol) sites of PBP2x, the high thermodynamic entropy (4.90 Å) of the resulting complex might suggest the need for its possible structural refinement for enhanced potency. Interestingly, silicristin had a predicted synthetic feasibility score of < 5 and quantum calculations using the DFT B3LYP/6-31G+ (dp) revealed that silicristin is less stable and more reactive than amoxicillin. These findings point to the possible benefits of the top-hit phenolics, and most especially silicristin, in the direct and synergistic treatment of infections caused by S. pneumoniae. Accordingly, silicristin is currently the subject of further confirmatory in vitro research.
Workloads of Different Soccer-Specific Drills in Professional Players

Abstract Soccer is a predominantly tactical sport and, therefore, tactical training has become the most widely used strategy to improve players' performance. The objective of the present study was to assess the workload of soccer-specific drills in professional players over a two-season period in an established context. GPS technology was used to record the data. One hundred and thirty-two (n = 132) soccer-specific drills were studied and grouped by categories. The individual demands of each task were related to the individual competitive profile of each player. The level of physical demand was significantly different in relation to the specific soccer drills analysed. Total distance covered, high-speed running, and the total number of high accelerations and decelerations were significantly higher in competition than in drills used for training sessions (p < .001). The Large-Sided Games (LSG), Big-Position Games (BPG) and Position Games (PG) showed higher maximum running speed values than the rest of the exercises (p < .01). The sum of high accelerations and decelerations values was greater in the Small-Sided Games (SSG) than in BPG (p < .001), Small-Position Games (SPG) (p < .001) and Physical-Technical Circuits (PTC) (p < .001). Significant differences were observed in the exercises analysed according to the player’s position. The current findings provide a detailed description of conditional demands placed on soccer players in different soccer-specific drills during training sessions, in a professional soccer context and according to their playing position, which may be helpful in the development of individualized training programs in other contexts.
3D Model of Hricov Castle Enhanced by Real Textures

Abstract The authors present the law protection of cultural monuments in the Slovak Republic and the outputs of an interesting case study, more specifically the creation of a 3D model with real textures of Hricov Castle, which was created in 2019 with additional improvements done in 2022. Ruins of Hricov Castle are located in the village of Hricovske Podhradie, 15 km from Zilina. For model creation, devices obtained within the project of the Broker centre of air transport for the transfers of technology and knowledge into transport and transport infrastructure was used. The 3D model of Hricov Castle created by team leader Tomas Cesnek currently presents one of the most realistic Slovak digital 3D models created by laser scanning technology. This model will be a part of the permanent exhibition of Hricov Castle in the historical toll building from 1556 in Dolny Hricov, Slovakia, the reconstruction of which is ensured by the members The Association of Friends of Hricov Castle. Model creation methodology and the use of special textures should be used to produce more realistic laser scan 3D models.
A Frostman-Type Lemma for Sets with Large Intersections, and an Application to Diophantine Approximation

Abstract We consider classes of subsets of [0, 1], originally introduced by Falconer, that are closed under countable intersections, and such that every set in the class has Hausdorff dimension at least s. We provide a Frostman-type lemma to determine if a limsup set is in such a class. Suppose that E = lim sup En ⊂ [0, 1], and that μn are probability measures with support in En. If there exists a constant C such that for all n, then, under suitable conditions on the limit measure of the sequence (μn), we prove that the set E is in the class . As an application we prove that, for α > 1 and almost all λ ∈ (½, 1), the set where and ak ∈ {0, 1}}, belongs to the class . This improves one of our previously published results.
The Influence of Anticipation of Movement Starting Time on Feedforward Activation of Trunk Muscles during Rapid Shoulder Joint Movements

Abstract This study aimed to clarify the differences in the onset of trunk muscle activity with and without anticipation of the movement starting time during rapid shoulder movements. Ten healthy men in a relaxed upright position performed rapid 135° flexion, 135° abduction, and 45° extension of the shoulder on the dominant hand side with and without anticipation of the movement starting time. They moved their shoulder joints following a 3-s countdown and a light stimulus in the anticipation and non-anticipation conditions, respectively. Electromyography of the anterior and posterior quadratus lumborum, transversus abdominis, internal oblique, external oblique, rectus abdominis, lumbar multifidus, lumbar erector spinae on the non-dominant hand side, and the middle deltoid on the dominant hand side were measured. The onset of activity of each trunk muscle relative to the onset of the middle deltoid was calculated. Two-way analysis of variance (eight trunk muscles × two anticipation conditions) was used to compare the onset of electromyographic activity of the trunk muscles in each direction of the shoulder movement. There were significant interactions between the muscles and anticipation conditions during shoulder abduction and extension. The onset of activity in the anterior and posterior quadratus lumborum, transversus abdominis, and internal oblique occurred earlier with anticipation of the movement starting time than without anticipation during shoulder abduction and extension. The anticipation of movement starting time may contribute to a reliable center of mass control within the support base and improve lumbar spine stability by hastening the onset of activity of the deep trunk muscles.
Strength and Power Performance Changes During an In-Season Resistance Training Program in Elite Futsal Players: A Case Study

Abstract In this study, we aimed to analyze (i) the strength and power changes after resistance training (RT) in elite futsal players, and (ii) the associations between the session rate of perceived exertion (sRPE) and perceived total quality recovery (TQR), and the sRPE and TQR with the volume load of the RT program. Ten elite futsal players (24.8 ± 5.4 years; 76.2 ± 7.1 kg; 1.77 ± 0.05 m) performed an in-season 8-week RT program twice per week. RT consisted of 2-3 sets x 3-6 reps at 45-65% of one-repetition maximum (1RM) with maximal velocities in the full squat and complementary exercises with the same volume. We assessed the TQR before every session, while the sRPE was calculated after each RT session. One week before and after the intervention, we measured the countermovement jump (CMJ) height, isometric hip adduction strength (IHAS), 1RM, and peak power (PP) in the full squat progressive loading test. After the 8-week training program, there was a significant improvement in most outcomes, yet the gains (%Δ) remained below the minimal detectable change (MDC), except for IHAS (CMJ: p < 0.05, %Δ = 6.7, MDC% = 7.2; IHAS: p < 0.001, %Δ = 19.1, MDC% = 14.6; 1RM: p > 0.05, %Δ = 9.2, MDC% = 21.5; PP: p < 0.05; %Δ = 14.4, MDC% = 22.4). We also found a significant negative correlation between TQR and the sRPE (r = -0.45, p < 0.001). Our data suggest that RT based on low-volume and low-to-moderate loads may not produce a sufficient stimulus to induce meaningful dynamic strength and power gains in elite futsal players, although it improves isometric strength. Furthermore, monitoring TQR before sessions may show coaches how the elite futsal player will perceive the session's intensity.
On a Higher Dimensional Version of the Benjamin-Ono Equation

We consider a higher dimensional version of the Benjamin--Ono equation, $\partial_t u -\mathcal{R}_1\Delta u+u\partial_{x_1} u=0$, where $\mathcal{R}_1$ denotes the Riesz transform with respect to the first coordinate. We first establish space--time estimates for the associated linear equation, many of which are sharp. These estimates enable us to show that the initial value problem for the nonlinear equation is locally well-posed in $L^2$-Sobolev spaces $H^{s}(\mathbb{R}^d)$, with $s>5/3$ if $d=2$ and $s>d/2+1/2$ if $d\ge 3$. We also provide ill-posedness results.
Planar Ising magnetization field II. Properties of the critical and near-critical scaling limits

In [CGN12], we proved that the renormalized critical Ising magnetization fields $\Phi^a:= a^{15/8} \sum_{x\in a\, \Z^2} \sigma_x \, \delta_x$ converge as $a\to 0$ to a random distribution that we denoted by $\Phi^\infty$. The purpose of this paper is to establish some fundamental properties satisfied by this $\Phi^\infty$ and the near-critical fields $\Phi^{\infty,h}$. More precisely, we obtain the following results. \bi [(i)] If $A\subset \C$ is a smooth bounded domain and if $m=m_A := 0$ such that {equation*} \log \Pb{m > x} \underset{x\to \infty}{\sim} -c \; x^{16}\,. {equation*} In particular, this provides an alternative proof that the field $\Phi^\infty$ is non-Gaussian (another proof of this fact would use the $n$-point correlation functions established in \cite{CHI} which do not satisfy Wick's formula). [(ii)] The random variable $m=m_A$ has a smooth {\it density} and one has more precisely the following bound on its Fourier transform: $|\Eb{e^{i\,t m}} |\le e^{- \tilde{c}\, |t|^{16/15}}$. [(iii)] There exists a one-parameter family $\Phi^{\infty,h}$ of near-critical scaling limits for the magnetization field in the plane with vanishingly small external magnetic field. \ei
A Hiring Story: Experiences of Employers in Hiring CS Graduates in Software Startups

Software startups develop products under extreme conditions of uncertainty. Therefore, in this study, we perform an interview study through semi-structured interviews with 11 employers of software startups in a developing country (Bangladesh). We find out about employers’ experiences and practices while hiring CS graduates. Our findings reveal several aspects of the hiring process such as showing bias toward candidates of particular institutions and giving more priority to technical skills rather than communication skills. We uncover that employers give additional effort to hire suitable candidates impeding their productivity. Further, we elaborate on notable similarities and differences in trends in the hiring process by comparing our findings with existing literature.
Quantum Hydrodynamics for Plasmas – a Thomas‐Fermi Theory Perspective

The idea to describe quantum systems within a hydrodynamic framework (quantum hydrodynamics, QHD) goes back to Madelung and Bohm. While such a description is formally exact for a single particle, more recently the concept has been applied to many‐particle systems by Manfredi and Haas [Phys. Rev. B 64, 075316 (2001)] and received high popularity in parts of the quantum plasma community. Thereby, often the applicability limits of these equations are ignored, giving rise to unphysical predictions. Here we demonstrate that modified QHD equations for plasmas can be derived from Thomas‐Fermi theory including gradient corrections. This puts QHD on firm grounds. At the same time this derivation yields a different prefactor, γ = (D – 2/3D), in front of the quantum (Bohm) potential which depends on the system dimensionality D. Our approach allows one to identify the limitations of QHD and to outline systematic improvements. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Multiple stellar populations in the globular cluster M3 (NGC 5272): a Strömgren perspective

We present Stromgren photometry of the Galactic Globular Cluster M3 to study its multiple generations phenomenon. The use of different colour-magnitude diagrams (CMDs) and especially of the notoriously efficient cy index allowed us to detect a double red giant branch in the cluster CMD. After decontamination from fore- and background sources, the two sequences turned out to be equally populated. The two components also show a bimodal radial distribution well corresponding to that predicted by numerical simulations for clusters living in an intermediate dynamical evolutive state and with a population with modified chemical composition that was born more centrally concentrated than the primordial. The analysis of high-resolution spectra quantitatively demonstrates that the two detected sequences correspond to the first (Na-poor) generation and the second (Na-rich) generation, thus confirming the importance of synergy between photometry and spectroscopy.
More Than Just Gameplay: Making a Case for “Let’s Plays” in Education

In the following paper, we discuss the use of Let’s Play video production in formal educational settings. We outline previous findings regarding the diverse skill set addressed by actively creating Let’s Plays and discuss the methodology of StreamIT! , a project aiming to create teaching concepts and materials in order to playfully foster collaboration, digital literacy, communicative and creative skills in the classroom and inspire interest in technology. We outline our workshop procedure and discuss how Let’s Play video production may accommodate constructionist learning approaches. Finally, we present a first implementation of the playful workshop concept in two sessions in a fourth grade class in primary school. While the workshop was well received by students, some remaining practical hurdles are identified and addressed.
Independent Validation of the Video Game Dispositional Flow Scale With League of Legends Players

Flow is a highly influential concept across many research domains. Because of the close links between enjoyment and flow, it is also a central concept in game research. Accordingly, many measurement instruments in the form of questionnaires have been developed to measure flow in video games. However, limited independent validation work has been carried out to date. In this project, we evaluated the recently developed Video Game Dispositional Flow Scale (VGDFS) in the context of League of Legends. An online survey posted on the online community reddit.com yielded a sample of N = 140. Confirmatory factor analysis did not support the originally proposed structure. Subsequent exploratory factor analysis resulted in inconclusive findings. Convergent validity with other questionnaires for the measurement of interest, enjoyment, and flow could be demonstrated in our data, although with unusually high correlations between the VGDFS and another flow measure. For divergent validity, correlations with questionnaires for the measurement of boredom and trait anxiety in the hypothesized direction could be found. Findings suggest that the VGDFS needs further evaluation in different video game contexts while also hinting at measurement problems possibly related to conceptual issues with flow.
Quadrant: a cloud-deployable NF virtualization platform

Network Functions (NFs) now process a significant fraction of Internet traffic. Software-based NF Virtualization (NFV) promised to enable rapid development of new NFs by vendors and leverage the power and economics of commodity computing infrastructure for NF deployment. To date, no cloud NFV systems achieve NF chaining, isolation, SLO-adherence, and scaling together with existing cloud computing infrastructure and abstractions, all while achieving generality, speed, and ease of deployment. These properties are taken for granted in other cloud contexts but unavailable for NF processing. We present Quadrant, an efficient and secure cloud-deployable NFV system, and show that Quadrant's approach of adapting existing cloud infrastructure to support packet processing can achieve NF chaining, isolation, generality, and performance in NFV. Quadrant reuses common cloud infrastructure such as Kubernetes, serverless, the Linux kernel, NIC hardware, and switches. It enables easy NFV deployment while delivering up to double the performance per core compared to the state of the art.
Consistent individual positions within roosts in Spix’s disc-winged bats

Individuals within both moving and stationary groups arrange themselves in a predictable manner; for example, some individuals are consistently found at the front of the group or in the periphery and others in the center. Each position may be associated with various costs, such as greater exposure to predators, and benefits, such as preferential access to food. In social bats, we would expect a similar consistent arrangement for groups at roost-sites, which is where these mammals spend the largest portion of their lives. Here we study the relative position of individuals within a roost-site and establish if sex, age, and vocal behavior are associated with a given position. We focus on the highly cohesive and mobile social groups found in Spix’s disc-winged bats (Thyroptera tricolor) given this species’ use of a tubular roosting structure that forces individuals to be arranged linearly within its internal space. We obtained high scores for linearity measures, particularly for the top and bottom positions, indicating that bats position themselves in a predictable way despite constant roost-switching. We also found that sex and age were associated with the use of certain positions within the roost; for example, males and subadults tend to occupy the top part (near the roost’s entrance) more often than expected by chance. Our results demonstrate, for the first time, that bats are capable of maintaining a consistent and predictable position within their roosts despite having to relocate daily, and that there is a link between individual traits and position preferences.
Schrodinger equations, deformation theory and $tt^*$-geometry

This is the first of a series of papers to construct the deformation theory of the form Schr\"odinger equation, which is related to a section-bundle system $(M,g,f)$, where $(M,g)$ is a noncompact complete K\"ahler manifold with bounded geometry and $f$ is a holomorphic function defined on $M$. This work is also the first step attempting to understand the whole Landau-Ginzburg B-model including the higher genus invariants. Our work is mainly based on the pioneer work of Cecotti, Cecotti and Vafa \cite{Ce1,Ce2,CV}.
Asymptotic behavior of BV functions and sets of finite perimeter in metric measure spaces

In this paper, we study the asymptotic behavior of BV functions in complete metric measure spaces equipped with a doubling measure supporting a $1$-Poincar\'e inequality. We show that at almost every point $x$ outside the Cantor and jump parts of a BV function, the asymptotic limit of the function is a Lipschitz continuous function of least gradient on a tangent space to the metric space based at $x$. We also show that, at co-dimension $1$ Hausdorff measure almost every measure-theoretic boundary point of a set $E$ of finite perimeter, there is an asymptotic limit set $(E)_\infty$ corresponding to the asymptotic expansion of $E$ and that every such asymptotic limit $(E)_\infty$ is a quasiminimal set of finite perimeter. We also show that the perimeter measure of $(E)_\infty$ is Ahlfors co-dimension $1$ regular.
A Spectral Representation for Spin-Weighted Spheroidal Wave Operators with Complex Aspherical Parameter

A family of spectral decompositions of the spin-weighted spheroidal wave operator is constructed for complex aspherical parameters with bounded imaginary part. As the operator is not symmetric, its spectrum is complex and Jordan chains may appear. We prove uniform upper bounds for the length of the Jordan chains and the norms of the idempotent operators mapping onto the invariant subspaces. The completeness of the spectral decomposition is proven.
Stronger between-clan than within-clan contests and their ecological correlates in a non-territorial, fission-fusion species, the Asian elephant

Socioecological theory attributes variation in social organization of female-bonded species to differences in within- and between-group competition, shaped by food distribution. Strong between-group contests are expected over large, monopolisable resources, and are not generally expected in species that feed on low quality resources distributed across large, undefended home ranges. Within groups, frequent contests are expected over discrete feeding sites but not over low-quality, dispersed resources. We report on the first tests of socioecological theory, largely unexplored in non-primate species, in female Asian elephants. Asian elephants show graminivory, overlapping home ranges, and high fission-fusion dynamics, traits that are thought to be associated with infrequent contests. We studied agonistic interactions within and between female elephant clans with respect to food distribution, food abundance, and competitor density effects of group size and clan density, in a grassland habitat around the Kabini backwaters, southern India. We found that the Kabini grassland had three times the grass biomass as adjacent forests, and between-clan encounters were considerably higher than that known from a neighbouring forest. Individual-level agonism was also more frequent between clans than within clans. Thus, the food-rich habitat patch probably enabled strong between-clan contest competition under graminivory. Moreover, the rate of between-clan encounters increased when more clans were present, and the duration of encounters was positively related to grass biomass at the contested sites. Despite fission-fusion dynamics, within-clan agonism was also somewhat frequent, but not influenced by food distribution, in contradiction to classic socioecological predictions, possibly because of intensified competition due to high density. Interestingly, within-clan agonism increased with female group size until intermediate group sizes, suggesting that the tension between within-group and between-group competition might govern group size, since larger groups are advantageous in this strong between-clan contest regime. Our findings refine the current understanding of female elephant socioecology. Despite predominant graminivory and fission-fusion dynamics, within-group agonism can be frequent, especially when large groups face ecological constraints at high density. Further, frequent between-group contests may arise despite graminivory and non-territoriality when food becomes patchy and density is high. These changes may be effected by anthropogenic alteration of habitats.