Miracle-dz/UniFAR-FTUs huggingface dataset:
Molecular Dynamics Study on Selected Bioactive Phytochemicals as Potential Inhibitors of HIV-1 Subtype C Protease

Acquired immunodeficiency syndrome (AIDS), one of the deadliest global diseases, is caused by the Human Immunodeficiency Virus (HIV). To date, there are no known conventional drugs that can cure HIV/AIDS, and this has prompted continuous scientific efforts in the search for novel and potent anti-HIV therapies. In this study, molecular dynamics simulation (MDS) and computational techniques were employed to investigate the inhibitory potential of bioactive compounds from selected South African indigenous plants against HIV-1 subtype C protease (HIVpro). Of the eight compounds (CMG, MA, UA, CA, BA, UAA, OAA and OA) evaluated, only six (CMG (−9.9 kcal/mol), MA (−9.3 kcal/mol), CA (−9.0 kcal/mol), BA (−8.3 kcal/mol), UAA (−8.5 kcal/mol), and OA (−8.6 kcal/mol)) showed favourable activities against HIVpro and binding landscapes like the reference FDA-approved drugs, Lopinavir (LPV) and Darunavir (DRV), with CMG and MA having the highest binding affinities. Using the structural analysis (root-mean-square deviation (RMSD), fluctuation (RMSF), and radius of gyration (RoG) of the bound complexes with HIVpro after 350 ns, structural evidence was observed, indicating that the six compounds are potential lead candidates for inhibiting HIVpro. This finding was further corroborated by the structural analysis of the enzyme–ligand complexe systems, where structural mechanisms of stability, flexibility, and compactness of the study metabolites were established following binding with HIVpro. Furthermore, the ligand interaction plots revealed that the metabolites interacted hydrophobically with the active site amino residues, with identification of other key residues implicated in HIVpro inhibition for drug design. Overall, this is the first computational report on the anti-HIV-1 activities of CMG and MA, with efforts on their in vitro and in vivo evaluations underway. Judging by the binding affinity, the degree of stability, and compactness of the lead metabolites (CMG, MA, CA, BA, OA, and UAA), they could be concomitantly explored with conventional HIVpro inhibitors in enhancing their therapeutic activities against the HIV-1 serotype.
On Khinchine type inequalities for pairwise independent Rademacher random variables

We consider Khintchine type inequalities on the $p$-th moments of vectors of $N$ pairwise independent Rademacher random variables. We establish that an analogue of Khintchine's inequality cannot hold in this setting with a constant that is independent of $N$; in fact, we prove that the best constant one can hope for is at least $N^{1/2-1/p}$. Furthermore, we show that this estimate is sharp for exchangeable vectors when $p = 4$. As a fortunate consequence of our work, we obtain similar results for $3$-wise independent vectors.
Integral representation of random variables with respect to Gaussian processes

It was shown in Mishura et al. (Stochastic Process. Appl. 123 (2013) 2353-2369), that any random variable can be represented as improper pathwise integral with respect to fractional Brownian motion. In this paper, we extend this result to cover a wide class of Gaussian processes. In particular, we consider a wide class of processes that are H\"{o}lder continuous of order $\alpha>1/2$ and show that only local properties of the covariance function play role for such results.
Práticas de IHC como Apoio à Engenharia de Requisitos: Um Relato de Experiência

As práticas de Interação Humano-Computador (IHC) têm sido utilizadas para apoiar o processo de elicitação e validação de requisitos de sistemas de software. Este artigo apresenta um relato de experiência no projeto de melhorias em um sistema de controle acadêmico de uma universidade pública. A partir dos resultados obtidos num survey com 312 participantes, utilizou-se práticas de IHC para representar os requisitos destes usuários sobre o sistema. Além disso, o conhecimento obtido foi aplicado na criação de um novo projeto de interface para o sistema alinhado com as necessidades e opiniões emitidas pelos usuários.
PLASMA HEATING BY HIGH-CURRENT RELATIVISTIC ELECTRON BEAMS.

A mechanism is proposed for the heating of a plasma with a high-current relativistic electron beam which makes essential use of the plasma return current induced by the beam. From overall energy conservation it is concluded that a large fraction of the beam energy is converted into plasma thermal energy. For reasonable parameters the heating occurs through ion sound turbulence generated by the plasma return current.
Optical mapping by low-cost instrumentation and disposable chemically induced nanochannels

The cost of fabrication and instrumentation presents a significant barrier to uptake of optical mapping as a tool for genomic investigation. Here a low cost optical instrumentation system to perform optical genomic mapping of DNA fragment restriction digestion by nanochannel confinement is presented. Specifically, the system is used for the detection of YOYO-1 labeled DNA within chemically formed nanochannels on a polystyrene chip. The formation of nanochannels on the polystyrene chip is achieved by solvent swelling of an injection moulded polystyrene substrate. The inverted microscope based system is compact and of low-cost but offers the sensitivity to detect individual fragments ranging from 0.56Kb to 9.4Kb of the λ-phage genome within a channels. Conformation of DNA within nanochannels driven by capillary flow is most consistent with modeled polymer extension in nanoslit.
Activation gaps of fractional quantum Hall effect in the second Landau level

We present activation gap measurements of the fractional quantum Hall effect (FQHE) in the second Landau level. Signatures for 14 (5) distinct incompressible FQHE states are seen in a high- (low-) mobility sample with the enigmatic $5∕2$ even-denominator FQHE having a large activation gap of $\ensuremath{\sim}500$ $(\ensuremath{\sim}250)\phantom{\rule{0.3em}{0ex}}\mathrm{mK}$ in the high- (low-) mobility sample. This is the largest gap ever reported for the $5∕2$ FQHE state. Our measured large relative gaps for $5∕2$, $7∕3$, and $8∕3$ FQHEs indicate the emergence of exotic FQHE correlations in the second Landau level, possibly different from the well-known lowest-Landau-level Laughlin correlations. Our measured $5∕2$ gap is found to be in reasonable agreement with the theoretical gap once finite-width and disorder-broadening corrections are taken into account.
Some remarks on the Sudakov minoration

In this paper we discuss Sudakov type minoration for the dependent setting. Sudakov minoration is a well known property first proved for centered Gaussian processes which states that for well separated points there is a natural lower bound on the expectation of the supremum of such a process. We generalize this concept for the dependent setting where we consider log concave random variables and then discuss methods of proving the property.
SGGformer: Shifted Graph Convolutional Graph-Transformer for Traffic Prediction

Accurate traffic prediction is significant in intelligent cities’ safe and stable development. However, due to the complex spatiotemporal correlation of traffic flow data, establishing an accurate traffic prediction model is still challenging. Aiming to meet the challenge, this paper proposes SGGformer, an advanced traffic grade prediction model which combines a shifted window operation, a multi-channel graph convolution network, and a graph Transformer network. Firstly, the shifted window operation is used for coarsening the time series data, thus, the computational complexity can be reduced. Then, a multi-channel graph convolutional network is adopted to capture and aggregate the spatial correlations of the roads in multiple dimensions. Finally, the improved graph Transformer based on the advanced Transformer model is proposed to extract the long-term temporal correlation of traffic data effectively. The prediction performance is evaluated by using actual traffic datasets, and the test results show that the SGGformer proposed exceeds the state-of-the-art baseline.
Bipartite noisy hypercubes have large higher-order Cheeger separation

The expansion of a graph is typically associated with its spectral properties - testing whether a graph is an expander is usually done using Cheeger's inequality. One can also use multiple eigenvalues in a higher-order Cheeger's inequality to test a deeper set of properties on the graph. However Cheeger's inquality, and the higher-order Cheeger's inequality, can be imprecise tools. Recently Lee, Gharan, and Trevisan constructed the Noisy Hypercube to prove the sharpness of the gap between spectral expansion and edge expansion in the higher-order Cheeger's inequality. We are concerned with the dual problem: using the upper end of the Laplacian spectrum to test a graph's bipartite nature. This has been shown to have several applications, and recently a dual version of Cheeger's inequality and a dual version of the higher-order Cheeger's inequality have been presented. We construct the Bipartite Noisy Hypercube and use it to prove the sharpness of the gap between spectral bipartite expansion and bipartite edge expansion in the dual version of the dual higher-order Cheeger's inequality.
Generalized Kuga-Satake theory and rigid local systems, II: rigid Hecke eigensheaves

This paper uses rigid Hecke eigensheaves, building on Yun's work on the construction of motives with exceptional Galois groups, to produce the first robust examples of `generalized Kuga-Satake theory' outside the Tannakian category of motives generated by abelian varieties. To strengthen our description of the `motivic' nature of Kuga-Satake lifts, we digress to establish a result that should be of independent interest: for any quasi-projective variety over a (finitely-generated) characteristic zero field, the associated weight-graded of its intersection cohomology arises from a motivated motive in the sense of Andre, and in particular from a classical homological motive if one assumes the Standard Conjectures. This extends work of de Cataldo and Migliorini.
Lexicographic Probabilities and Equilibrium Refinements

This paper develops a decision-theoretic approach to normal-form refinements of Nash equilibrium and provides characterizations of (normal-form) perfect equilibrium and proper equilibrium. The approach relies on a theory of single-person decision-making that is a non-Archimedean version of subjective expected utility theory. Copyright 1991 by The Econometric Society.
Integration of Lipidomics and Transcriptomics Reveals the Efficacy and Mechanism of Qige Decoction on NAFLD

The prevalence of nonalcoholic fatty liver disease (NAFLD) is increasing as obesity and diabetes become more common. There are no drugs approved for NAFLD yet. Qige decoction (QGD), a traditional Chinese medicine (TCM) formula, is used for NAFLD and hyperlipidemia treatment in TCM and has shown hypolipidemic and hepatoprotective effects. This study tried to interpret the pharmacology and molecular mechanisms of QGD in NAFLD rats. Firstly, the therapeutic effects of QGD on high-fat diet (HFD)-induced NAFLD rats were evaluated. Then, integration of lipidomics and transcriptomics was conducted to explore the possible pathways and targets of QGD against NAFLD. QGD at low dosage (QGL) administration reduced serum total cholesterol (TC), triglyceride (TG), and low-density lipoprotein cholesterol (LDL-C) (P < 0.05). Liver histopathology indicated that QGL could alleviate hepatic steatosis. The main differential lipids (DELs) affected by QGD were glycerolipids. KEGG enrichment analysis suggested that the main pathways by which QGD improved NAFLD may be cholesterol metabolism, glycerolipid metabolism, and insulin resistance. Transcriptome sequencing identified 179 upregulated and 194 downregulated mRNAs after QGD treatment. An interaction network based on DELs and differential genes (DEGs) suggested that QGD inhibited hepatic steatosis mainly by reducing hepatic insulin resistance and triglyceride biosynthesis via the PPP1R3C/SIK1/CRTC2 and PPP1R3C/SIK1/SREBP1 signal axis, respectively. These findings indicated that QGD could protect against NAFLD induced by HFD. The improvement of hepatic insulin resistance and the reduction of triglyceride biosynthesis might be the potential mechanisms.
Equations of hyperelliptic Shimura curves

By constructing suitable Borcherds forms on Shimura curves and using Schofer’s formula for norms of values of Borcherds forms at CM points, we determine all of the equations of hyperelliptic Shimura curves $X_{0}^{D}(N)$ . As a byproduct, we also address the problem of whether a modular form on Shimura curves $X_{0}^{D}(N)/W_{D,N}$ with a divisor supported on CM divisors can be realized as a Borcherds form, where $X_{0}^{D}(N)/W_{D,N}$ denotes the quotient of $X_{0}^{D}(N)$ by all of the Atkin–Lehner involutions. The construction of Borcherds forms is done by solving certain integer programming problems.
Noncommutative Khintchine and Paley inequalities via generic factorization

We reprove an inequality for Rademacher series with coefficients in the Schatten class $S_1$. Our method yields the same estimate for coefficients after suitable gaps in $S_1$-valued trigonometric series; this was known for scalar-valued functions. A very similar method gives a new proof of the extension to $S_1$-valued $H^1$ functions of Paley's theorem about lacunary coefficients.
Hausdorff Dimension and Diophantine Approximation

We begin with a brief treatment of Hausdorff measure and Hausdorff dimension. We then explain some of the principal results in Diophantine approximation and the Hausdorff dimension of related sets, originating in the pioneering work of Vojtech Jarnik. We conclude with some applications of these results to the metrical structure of exceptional sets associated with some famous problems. It is not intended that all the recent developments be covered but they can be found in the references cited.
A general weak and strong error analysis of the recursive quantization with an application to jump diffusions

Observing that the recent developments of the recursive (product) quantization method induces a family of Markov chains which includes all standard discretization schemes of diffusions processes , we propose to compute a general error bound induced by the recursive quantization schemes using this generic markovian structure. Furthermore, we compute a marginal weak error for the recursive quantization. We also extend the recursive quantization method to the Euler scheme associated to diffusion processes with jumps, which still have this markovian structure, and we say how to compute the recursive quantization and the associated weights and transition weights.
Transparent ZnO thin-film transistor fabricated by rf magnetron sputtering

We fabricated ZnO thin-film transistors by rf magnetron sputtering on Si substrates held near room temperature. The best devices had field-effect mobility of more than 2 cm2/V s and an on/off ratio>106. These ZnO films had resistivity ∼105 ohm cm, with high optical transparency (>80% for wavelength >400 nm), and compressive stress <0.5 GPa. The combination of transparency in the visible, excellent transistor characteristics, and low-temperature processing makes ZnO thin-film transistors attractive for flexible electronics on temperature sensitive substrates.
Validação de um Dicionário Colaborativo da Língua Brasileira de Sinais utilizando Design Sprint

Segundo o Censo de 2010, realizado pelo IBGE, 9,7 milhões de pessoas têm deficiência auditiva. Essa parte da população enfrenta diversos problemas de acessibilidade, sendo estes agravados pela falta de ferramentas que auxiliem as pessoas surdas em tarefas comuns do dia a dia. O presente trabalho consiste em validar um Produto Mínimo Viável (MVP) relacionado com o desenvolvimento mínimo de um software para cadastro de sinais de Libras. Para isso, foram realizadas entrevistas com 8 usuários aprendizes e 2 especialistas de Libras, seguindo o roteiro da metodologia Design Sprint. Os resultados coletados demonstram que usuários aprendizes de Libras consideraram a ferramenta útil para realizar consultas e cadastro de palavras com o correspondente ao sinal em Libras. As entrevistas realizadas com especialistas de Libras resultou no apontamento de pontos de melhoria na ferramenta em desenvolvimento.
The Effect Of Person Organization Fit On Employee Performance With Organizational Commitment Mediation Variables

The role of employees in fulfilling the company's strategy is shown through performance. How well the performance shown by employees is adjusted to the standards set by the company and can be determined by the management of the performance itself. It is essential for companies to carry out a performance management process and then conduct an employee performance appraisal within a certain period of time. So that in the end, the performance of an organization depends on the performance of its employees. This study aimed to determine the effect of personal organization fit on employee performance and the indirect effect through organizational commitment. This study uses quantitative methods by distributing questionnaires in data collection. The sample of this study was taken from the results of questionnaires to employees of as many as 105 people. The analytical tool used is path analysis (path analysis). The results of this study support the four hypotheses proposed: first, person organization fit has a positive and significant effect on employee performance. Second, personal organization fit positively and significantly affects organizational commitment. Third, organizational commitment has a positive and significant effect on employee performance, and fourth organizational commitment mediates the effect of the personal organization fit on employee performance. So, paying attention to personal organization fit and organizational commitment to improving employee performance is necessary
Tetrabromobisphenol Exposure Impairs Bovine Oocyte Maturation by Inducing Mitochondrial Dysfunction

Tetrabromobisphenol (TBBPA) is the most widely used brominated flame retardant in the world and displays toxicity to humans and animals. However, few studies have focused on its impact on oocyte maturation. Here, TBBPA was added to the culture medium of bovine cumulus–oocyte complexes (COCs) to examine its effect on oocytes. We found that TBBPA exposure displayed an adverse influence on oocyte maturation and subsequent embryonic development. The results of this study showed that TBBPA exposure induced oocyte meiotic failure by disturbing the polar-body extrusion of oocytes and the expansion of cumulus cells. We further found that TBBPA exposure led to defective spindle assembly and chromosome alignment. Meanwhile, TBBPA induced oxidative stress and early apoptosis by mediating the expression of superoxide dismutase 2 (SOD2). TBBPA exposure also caused mitochondrial dysfunction, displaying a decrease in mitochondrial membrane potential, mitochondrial content, mtDNA copy number, and ATP levels, which are regulated by the expression of pyruvate dehydrogenase kinase 3 (PDK3). In addition, the developmental competence of oocytes and the quality of blastocysts were also reduced after TBBPA treatment. These results demonstrated that TBBPA exposure impaired oocyte maturation and developmental competence by disrupting both nuclear and cytoplasmic maturation of the oocyte, which might have been caused by oxidative stress induced by mitochondrial dysfunction.
Monadic Dynamics

We develop a monadic framework formalising an operational notion of dynamics, seen as the setting and evolution of initial value problems, in general physical theories. We identify in the Eilenberg-Moore category the natural environment for dynamical systems and characterise Cauchy surfaces abstractly as automorphisms in the Kleisli category. Our main results formally vindicates the Aristotelian view that time and change are defined by one another. We show that dynamics which respect the compositional structure of physical systems always define a canonical notion of time, and give the conditions under which they can be faithfully seen as actions of time on physical systems. Finally, we construct state spaces and path spaces, and show that our framework to be equivalent to the path space approaches to dynamics. The monadic standpoint is thus as strong as the established paradigms, but the shift from histories to dynamics helps shed new light on the nature of time in physics. In the appendix we present some additional structures of wide applicability, introduce propagators and draft applications to quantum theory, classical mechanics and network theory.
Mapping the electrostatic potential across AlGaN/AlN/GaN heterostructures using electron holography

Electron holography has been used to study the properties of a nominally undoped AlGaN∕AlN∕GaN heterostructures. Important characteristics such as the electrostatic potential and the two-dimensional electron gas (2DEG) distribution have been determined with high spatial resolution across the thin film structure. The origin of 2DEG electrons is directly probed by analyzing the charge distribution in the AlGaN layer. It is shown that the contribution of residual donors is trivial and the ionized donorlike surface states are the major source of the 2DEG electrons.
An Elementary Proof of Dodgson's Condensation Method for Calculating Determinants

In 1866, Charles Ludwidge Dodgson published a paper concerning a method for evaluating determinants called the condensation method. His paper documented a new method to calculate determinants that was based on Jacobi's Theorem. The condensation method is presented and proven here, and is demonstrated by a series of examples. The condensation method can be applied to a number of situations, including calculating eigenvalues, solving a system of linear equations, and even determining the different energy levels of a molecular system. The method is much more efficient than cofactor expansions, particularly for large matrices; for a 5 x 5 matrix, the condensation method requires about half as many calculations. Zeros appearing in the interior of a matrix can cause problems, but a way around the issue can usually be found. Overall, Dodgson's condensation method is an interesting and simple way to find determinants. This paper presents an elementary proof of Dodgson's method.
Clinicians’ Emotional Reactions toward Patients with Depressive Symptoms in Mood Disorders: A Narrative Scoping Review of Empirical Research

The purpose of this article is to narratively review the empirical literature on clinicians’ emotional, cognitive, and behavioral responses (i.e., countertransference) to depressive and other symptoms of patients with mood disorders. Therapist subjective responses (countertransference) can negatively affect both diagnostic and therapeutic processes, especially when they are not recognized and managed promptly. However, at the same time, countertransference recognition, processing, and management can help inform the diagnostic process and improve the therapy process and outcome. In the last couple of decades, the number of studies that empirically explore countertransference toward mood disordered patients, as well as its relationship with various characteristics of both patients and treatment, has increased. Current evidence suggests that patients with depression tend to elicit more positive feelings among clinicians than patients with other severe mental disorders such as borderline personality disorder or schizophrenia. Furthermore, it documents the existence of associations between patients’ severity of depressive symptoms and clinicians’ subjective reactions, although the results regarding which specific countertransference patterns are evoked in relation to the different phases of the treatment are not entirely consistent. Lastly, growing evidence suggests the presence of clinicians’ specific emotional reactions towards patients with suicidal ideation and behavior.