Miracle-dz/UniFAR-FTUs huggingface dataset:
Cheminformatics Bioprospection of Broad Spectrum Plant Secondary Metabolites Targeting the Spike Proteins of Omicron Variant and Wild-Type SARS-CoV-2

The spike protein (SP) of SARS-CoV-2 (SC-2) is susceptible to high mutation and has contributed to the multiple waves of COVID-19 being experienced. Hence, targeting the SP remains a logical approach in the development of potent therapeutics against SARS-CoV-2. Here, a computational technique was adopted to identify broad-spectrum plant secondary metabolites with indigenous relevance in the management of respiratory infections against the SPs of the SC-2 wild- type (SC-2WT) and omicron variants. Following 100 ns molecular dynamic (MD) simulation and binding free energy calculation of the top five compounds identified through molecular docking, maysin (SC-2WT (−34.85 kcal/mol), omicron (−38.88 kcal/mol)) and geraniin (SC-2WT (−36.90 kcal/mol) omicron (−31.28 kcal/mol)) had better broad-spectrum activities for the investigated SPs than zafirlukast (SC-2WT (−33.73 kcal/mol) omicron (−22.38 kcal/mol)). Furthermore, 6-hydroxycyanidin-3-rutinoside (−42.97 kcal/mol) and kaempferol-7-glucoside (−37.11 kcal/mol) had the best affinity for the SPs of omicron and SC-2WT, respectively. Interestingly, except for Kaempferol-7-glucoside against omicron SP, all the top-ranked compounds were thermodynamically stable with the SP of both variants, and this observation was linked to the number, nature, and bond length in the resulting complexes in each case. Also, except for geraniin, all the top-ranked compounds had lower toxicity profiles compared to zafirlukast and this could be attributed to their phenolic moieties. Nevertheless, the in vitro and in vivo confirmation of the activities observed in this study is recommended, especially for maysin and geraniin with the best broad-spectrum activity, towards development of COVID-19 drug candidates.
The sequence of low- and high-mass star formation in the young stellar cluster IRAS 19343+2026

BVRIJHK photometry, Spitzer-GLIMPSE photometry and HK-band spectroscopy were used to study the stellar content of IRAS 19343+2026, a (proto)star/cluster candidate, located close to the Galactic plane. The data suggest that IRAS 19343+2026 is a rich cluster associated with a massive protostar of 7.6 M ⊙ with an age of ∼10 5 yr. Three point sources in the vicinity of the far-infrared peak are also found to be early B-type stars. The remaining (predominantly low mass) members of the cluster are best represented by a 1–3 Myr pre-main-sequence (PMS) population. HK-band spectra of two bright and five faint point sources in the cluster confirm that the results obtained from the photometry are good representations of their young stellar object (YSO) nature. Thus, IRAS 19343+2026 is a young cluster with at least four early B-type stars classified as young (10 4 –10 5 yr), that are surrounded by a somewhat older (1–3 Myr) population of low-mass YSOs. Together, these results argue for a scenario in which low-mass stars form prior to massive stars in a cluster forming environment. We compute the initial mass function (IMF) for this cluster using the K-band luminosity function; the slope of the IMF is shallower than predicted by the Salpeter's mass function. The cluster mass, Mtotal, is estimated to be in the range ∼307 M ⊙ (from the data completeness limit) to 585 M ⊙ (extrapolated down to the brown dwarf limit, assuming a certain IMF).
The response of dark matter haloes to elliptical galaxy formation: a new test for quenching scenarios

We use cosmological hydrodynamical zoom-in simulations with the SPH code gasoline of four haloes of mass M_{200} \sim 10^{13}\Msun to study the response of the dark matter to elliptical galaxy formation. Our simulations include metallicity dependent gas cooling, star formation, and feedback from massive stars and supernovae, but not active galactic nuclei (AGN). At z=2 the progenitor galaxies have stellar to halo mass ratios consistent with halo abundance matching, assuming a Salpeter initial mass function. However by z=0 the standard runs suffer from the well known overcooling problem, overpredicting the stellar masses by a factor of > 4. To mimic a suppressive halo quenching scenario, in our forced quenching (FQ) simulations, cooling and star formation are switched off at z=2. The resulting z=0 galaxies have stellar masses, sizes and circular velocities close to what is observed. Relative to the control simulations, the dark matter haloes in the FQ simulations have contracted, with central dark matter density slopes d\log\rho/d\log r \sim -1.5, showing that dry merging alone is unable to fully reverse the contraction that occurs at z>2. Simulations in the literature with AGN feedback however, have found expansion or no net change in the dark matter halo. Thus the response of the dark matter halo to galaxy formation may provide a new test to distinguish between ejective and suppressive quenching mechanisms.
Validating the Structure of Proximal and Distal Factors within the Sexual Minority Adolescent Stress Inventory

Minority stress theory is a model for understanding health disparities among sexual minorities, defined as those who experience a level of same-sex attraction, identity, or behavior. Methods for assessing minority stress among youth included only adult measures until the development of the Sexual Minority Adolescent Stress Inventory (SMASI). The SMASI appears to be a robust scale in its ability to measure specific stressors and global minority stress among adolescents; however, it does not measure the domain-level constructs of proximal and distal stress, which are integral features of the underlying theory. This study tests the psychometric defensibility of including these domain-level factors within an updated SMASI measurement model. Results provide evidence for the structural validity of the proximal and distal domains within the SMASI measurement model and suggest this updated model has more informational value than the original model for capturing minority stress.
Prevalence of coronary heart disease and its risk factors by working environment among Japanese male workers

Work is a major social determinant of health. We conducted a cross-sectional study to explore the association between coronary heart disease (CHD), its risk factors, and the working environment among Japanese male workers. We collected data from 10,572 workers (mean age 49.9 yr) who underwent annual medical check-ups in Toyama, Japan, in 2016. This study included data from health check-ups and questionnaires on medical history of CHD, hypertension, and diabetes, and the use of medication. The working environment included company size and industry categories. Company size was classified into 4 categories according to the number of full-time workers (1–20, 21–100, 101–300, 301–). The industry category was classified into 10 categories. Logistic regression analysis was performed to explore the association. In total, 1.5% of patients had a history of CHD and 31.5% and 11.0% of participants were suffering from hypertension and diabetes, respectively. Compared to workers in a large company, those in a smaller company were more likely to have CHD. Moreover, there was a significant association between CHD’s risk factors and working in the transportation industry. Health providers, including medical doctors, should consider employee working environment as a potential risk factor for CHD.
THE EVOLUTION OF STELLAR POPULATIONS IN THE OUTER DISKS OF SPIRAL GALAXIES

We investigate recent star formation in the extended ultraviolet (XUV) disks of five nearby galaxies (NGC 0628, NGC 2090, NGC 2841, NGC 3621, and NGC 5055) using a long wavelength baseline comprised of ultraviolet and mid-infrared imaging from the Galaxy Evolution Explorer and the Spitzer Infrared Array Camera. We identify 229 unresolved stellar complexes across targeted portions of their XUV disks and utilize spectral energy distribution fitting to measure their stellar ages and masses through comparison with Starburst99 population synthesis models of instantaneous burst populations. We find that the median age of outer-disk associations in our sample is ∼100 Myr with a large dispersion that spans the entire range of our models (1 Myr to 1 Gyr). This relatively evolved state for most associations addresses the observed dearth of Hα emission in some outer disks, as Hα can only be observed in star-forming regions younger than ∼10 Myr. The large age dispersion is robust against variations in extinction (in the range E(B − V) = 0–0.3 mag) and variations in the upper end of the stellar initial mass function (IMF). In particular, we demonstrate that the age dispersion is insensitive to steepening of the IMF, up to extreme slopes.
Ultraviolet Spectropolarimetry of Narrow-Line Radio Galaxies

We present the results of UV spectropolarimetry (λrest ≃ 2000-3000 Å) and far-UV spectroscopy (λrest ≃ 1500-2000 Å) of two low-redshift narrow-line radio galaxies (NLRGs) taken with the Faint Object Spectrograph on board the Hubble Space Telescope (HST). Spectropolarimetry of several NLRGs has shown that, by the presence of broad permitted lines in polarized flux spectrum, they have hidden quasars seen through scattered light. Imaging polarimetry has shown that NLRGs including our targets often have large scattering regions of a few to ≳10 kpc scale. This has posed a problem concerning the nature of the scatterers in these radio galaxies. Their polarized continuum has the spectral index similar to or no bluer than that of quasars, which favors electrons as the dominant scattering particles. The large scattering region size, however, favors dust scattering because of its higher scattering efficiency compared to electrons. In this paper we investigate the polarized flux spectrum over a wide wavelength range, combining our UV data with previous optical/infrared polarimetry data. We infer that the scattering would be often caused by opaque dust clouds in the NLRGs and this would be part of the reason for the apparently gray scattering. In the high-redshift radio galaxies, these opaque clouds could be the protogalactic subunits inferred to be seen in the HST images. However, we still cannot rule out the possibility of electron scattering, which could imply the existence of a large gas mass surrounding these radio galaxies.
Recent Advances in the Treatment of Pulmonary Arterial Hypertension

Pulmonary arterial hypertension (PAH) is a disease in which stenosis or obstruction of the pulmonary arteries (PAs) causes an increase in PA pressure, leading to right-sided heart failure and death. Basic research has revealed a decrease in the levels of endogenous vasodilators, such as prostacyclin, and an increase in the levels of endogenous vasoconstrictors, such as endothelin, in patients with PAH, leading to the development of therapeutic agents. Currently, therapeutic agents for PAH target three pathways that are selective for PAs: the prostacyclin, endothelin, and nitric oxide pathways. These treatments improve the prognosis of PAH patients. In this review, we introduce new drug therapies and provide an overview of the current therapeutic agents.
Numerical approximation to the MEW equation for the single solitary wave and different types of interactions of the solitary waves

The main motivation of the current study is to find out better approximate solutions of the modified equal width wave (MEW) equation. In order to achieve this aim, the power of two numerical methods are combined and an extended literature survey has been carried out. Quartic B-spline base functions have been utilized since the first-order and second-order weighting coefficients that are needed for space discretization are obtained directly. As test problems, twelve different applications of single solitary wave and four different applications of the interaction between the two solitary waves are solved successfully. All of the approximate solutions have been compared to nearly fifty various earlier applications existing in the literature. Also, the rate of the convergence is given with error norms. Comparisons show the fact that the current method obtains improved results than most of the common earlier methods.
Moth image segmentation based on improved Unet

Moths are pests that pose a major threat to food production in China, and the monitoring and prevention of moth infestation is of great significance. To address the problems of a high diversity of moths with minor differences and difficult identification, a semantic segmentation network based on depthwise separable convolution, attention mechanism, pyramid pooling—Depthwise Squeeze-and-Excitation Pyramid network (DSEPNet)—was proposed. The network to extract texture features and wing edge information of moths was enhanced based on the optimization of the model of channel attention mechanism on UNet. The computational speed of the model was increased and the number of parameters of the model was reduced based on the improvement in depthwise separable convolution. A pyramid pooling module was added between the encoder and decoder so that the model could input images of an arbitrary size, while enhancing its ability to learn feature information of different dimensions. DSEPNet was evaluated by ablation and contrast experiments. Compared with UNet, the accuracy, mean intersection over union (mIoU), and F1-Score of DSEPNet were improved by 2.04%, 9.14%, and 4.08%, respectively. Based on the moth dataset, compared with R2AU-Net, the mIoU of DSEPNet was improved by 3.04%. To verify the generalization of the model, comparison experiments were done on the Pascal VOC 2012 dataset. The mIoU of DSEPNet was improved by 0.51% compared with PSPNet and by 0.18% compared with DeepLabv3. Meanwhile, an automatic annotation algorithm for data sets was proposed to solve the time-consuming and laborious process of manual annotation, which can automatically generate semantic segmentation annotation files. DSEPNet can be installed on moth traps to identify moths and monitor the number and species of moths in the area.
Physical point simulation in 2 + 1 flavor lattice QCD

We present the results of the physical point simulation in $2+1$ flavor lattice QCD with the nonperturbatively $O(a)$-improved Wilson quark action and the Iwasaki gauge action at $\ensuremath{\beta}=1.9$ on a ${32}^{3}\ifmmode\times\else\texttimes\fi{}64$ lattice. The physical quark masses together with the lattice spacing is determined with ${m}_{\ensuremath{\pi}}$, ${m}_{K}$ and ${m}_{\ensuremath{\Omega}}$ as physical inputs. There are two key algorithmic ingredients to make possible the direct simulation at the physical point: One is the mass-preconditioned domain-decomposed HMC algorithm to reduce the computational cost. The other is the reweighting technique to adjust the hopping parameters exactly to the physical point. The physics results include the hadron spectrum, the quark masses and the pseudoscalar meson decay constants. The renormalization factors are nonperturbatively evaluated with the Schr\"odinger functional method. The results are compared with the previous ones obtained by the chiral extrapolation method.
The Impact of COVID-19 Lockdown Restrictions on Exercise Behavior Among People With Multiple Sclerosis Enrolled in an Exercise Trial: Qualitative Interview Study

Background During spring and summer 2020, US states implemented COVID-19 pandemic restrictions, resulting in the closure of rehabilitation facilities and, with them, some of the clinical trials that were taking place. One such trial was the Supervised Versus Telerehabilitation Exercise Program for Multiple Sclerosis (“STEP for MS”) comparative effectiveness multiple sclerosis (MS) exercise trial. Although 1 study arm was implemented via telerehabilitation, the comparative arm took place in rehabilitation facilities nationwide and was subsequently closed during this time frame. The experience of the STEP for MS participants provides insights into the impact of lockdown restrictions on exercise behavior by mode of exercise delivery (telerehabilitation vs conventional facility based). Objective This study sought to understand the impact of COVID-19 lockdown restrictions on exercise behavior among people with MS enrolled in an exercise trial at the time of the restrictions. Methods Semistructured phone and video interviews were conducted with a convenience sample of 8 participants representing both arms of the exercise trial. We applied reflexive thematic analysis to identify, analyze, and interpret common themes in the data. Results We identified 7 main themes and 2 different narratives describing the exercise experiences during lockdown restrictions. Although the telerehabilitation participants continued exercising without interruption, facility-based participants experienced a range of barriers that impeded their ability to exercise. In particular, the loss of perceived social support gained from exercising in a facility with exercise coaches and other people with MS eroded both the accountability and motivation to exercise. Aerobic exercises via walking were the most impacted, with participants pointing to the need for at-home treadmills. Conclusions The unprecedented disruption of COVID-19 lockdown restrictions in spring and summer 2020 impacted the ability of facility-based STEP for MS exercise trial participants to exercise in adherence to the intervention protocol. By contrast, the participants in the telerehabilitation-delivered exercise arm continued exercising without interruption and reported positive impacts of the intervention during this time. Telerehabilitation exercise programs may hold promise for overcoming barriers to exercise for people with MS during COVID-19 lockdown restrictions, and potentially other lockdown scenarios, if the participation in telerehabilitation has already been established.
Measurement of the Absolute Photoionization Cross Section of C+ near Threshold

The absolute photoionization cross section of the ground-state C+ ion has been measured from the ionization threshold at 24 eV to 31 eV using a merged ion-photon beam setup with synchrotron radiation from an undulator. The experimental results have been compared with nonrelativistic theoretical data from the Iron Project and the agreement is generally good in the near-threshold region, but differences in the magnitude of the continuum cross section of 15%-35% at higher energies and several deviations in the resonance structure are observed. The present measurements are a part of an experimental program to test the extensive theoretical photoionization cross section calculations performed within the framework of the Opacity Project and the Iron Project.
Adaptation of the Aphasia Impact Questionnaire-21 into Greek: A Reliability and Validity Study

The impact of aphasia on the everyday life of Greek-speaking people with aphasia (PWA) is often underestimated by rehabilitation clinicians. This study explores the adaptation and psychometric properties of the Greek (GR) version of The Aphasia Impact Questionnaire-21 (AIQ-21-GR) to address this issue. The aim of this study is to determine the reliability and validity of the Greek version of the AIQ-21. The AIQ-21-GR was administered to 69 stroke survivors, 47 with aphasia and 22 without aphasia. The data were analyzed to determine reliability and validity. Content validity was based on the Consensus-based Standards for the selection of health Measurement Instruments guidelines. The AIQ-21-GR shows high levels of reliability and validity. The results confirmed high scores of internal consistency (Cronbach’s α = 0.91) and indicated good known—groups validity (Mann–Whitney U = 202, p < 001). Content validity achieved high scores with an overall median score of 4 [Q25 = 4, Q75 = 5]. The psychometric properties of the AIQ-21-GR support the reliability and validity of the tool for investigating the impact of aphasia on the quality of life of Greek-speaking PWA. The AIQ-21-GR can be used for setting functional goals in collaboration with PWA and as a patient reported outcome measure for functional communication training.
Spin-lattice relaxation and the calculation of gain, pump power, and noise temperature in ruby

The use of a quantitative analysis of the dominant source of relaxation in ruby spin systems to make predictions of key maser amplifier parameters is described. The spin-lattice Hamiltonian which describes the interaction of the electron spins with the thermal vibrations of the surrounding lattice is obtained from the literature. Taking into account the vibrational anisotropy of ruby, Fermi's rule is used to calculate the spin transition rates between the maser energy levels. The spin population rate equations are solved for the spin transition relaxation times, and a comparison with previous calculations is made. Predictions of ruby gain, inversion ratio, and noise temperature as a function of physical temperature are made for 8.4-GHz and 32-GHz maser pumping schemes. The theory predicts that ruby oriented at 90 deg will have approximately 50 percent higher gain in dB and slightly lower noise temperature than a 54.7-deg ruby at 32 GHz (assuming pump saturation). A specific calculation relating pump power to inversion ratio is given for a single channel of the 32-GHz reflected wave maser.
Pengembangan LKPD Berbasis Literasi Sains Tema 9 Menjelajah Angkasa Luar Untuk Kelas VI SDN 6 Ulu Musi Kabupaten Empat Lawang

This study aims to develop LKPD based on scientific literacy. The type of research used is research and development (R & D) modifying by the Sugiyono model adopting 6 steps, namely analysis, planning, design, validation, revision, and testing. The research data were obtained through questionnaires, interview guidelines, validation sheets, and student response questionnaires. The validated aspects include the feasibility of the material, language, presentation and graphics involving 6 validators consisting of experts and practitioners. Validation data were analyzed using the Aiken'V formula and reliability. Data on student responses to LKPD were obtained from the responses of 15 students in class VI. The data is in the form of 'yes' 'no' data which is analyzed by Guttman's theory. Based on the results of research and development, it is concluded that scientific literacy-based worksheets are very suitable to be used in learning Tema 9 Menjelajah Angkasa Luar for class VI SDN 6 Ulu Musi, Kabupaten Empat Lawang.
Towards AI as a Creative Colleague in Game Level Design

In Mixed-Initiative Co-Creative tools, the human is mostly in control of what will and can be created, delegating the AI to a more suggestive role instead of a colleague in the co-creative process. Allowing more control and agency for the AI might be an interesting path in co-creative scenarios where AI could direct and take more initiative within the co-creative task. However, the relationship between AI and human designers in creative processes is delicate, as adjusting the initiative or agency of the AI can negatively affect the user experience. In this paper, different degrees of agency for the AI are explored within the Evolutionary Dungeon Designer (EDD) to further understand MI-CC tools. A user study was performed using EDD with three varying degrees of AI agency. The study highlighted elements of frustration that the human designer experiences when using the tool and the behavior in the AI that led to possible strains on the relationship. The paper concludes with the identified issues and possible solutions and suggested further research.