Miracle-dz/UniFAR-FTUs huggingface dataset:
Options for the future of Veterans' Home Care (VHC)

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Phosphate release coupled to rotary motion of F1-ATPase

Significance F1-ATPase is the catalytic domain of FoF1-ATP synthase, the rotary molecular motor at the core of the energy transduction machinery in all of life. We use atomistic molecular dynamics simulations to study a key event in its catalytic cycle, the release of inorganic phosphate (Pi) produced by the hydrolysis of ATP. We determine the timing, kinetics, and molecular mechanism of Pi release and clarify its role in torque generation. We also obtain an atomically detailed structure of a crystallographically unresolved intermediate formed after the 40° substep. Our results help reconcile conflicting interpretations of earlier biochemical, crystallographic, and single-molecule studies; shed light on the functional requirements of efficient ATP synthesis; and establish connections to other motors such as myosin. F1-ATPase, the catalytic domain of ATP synthase, synthesizes most of the ATP in living organisms. Running in reverse powered by ATP hydrolysis, this hexameric ring-shaped molecular motor formed by three αβ-dimers creates torque on its central γ-subunit. This reverse operation enables detailed explorations of the mechanochemical coupling mechanisms in experiment and simulation. Here, we use molecular dynamics simulations to construct a first atomistic conformation of the intermediate state following the 40° substep of rotary motion, and to study the timing and molecular mechanism of inorganic phosphate (Pi) release coupled to the rotation. In response to torque-driven rotation of the γ-subunit in the hydrolysis direction, the nucleotide-free αβE interface forming the “empty” E site loosens and singly charged Pi readily escapes to the P loop. By contrast, the interface stays closed with doubly charged Pi. The γ-rotation tightens the ATP-bound αβTP interface, as required for hydrolysis. The calculated rate for the outward release of doubly charged Pi from the αβE interface 120° after ATP hydrolysis closely matches the ∼1-ms functional timescale. Conversely, Pi release from the ADP-bound αβDP interface postulated in earlier models would occur through a kinetically infeasible inward-directed pathway. Our simulations help reconcile conflicting interpretations of single-molecule experiments and crystallographic studies by clarifying the timing of Pi exit, its pathway and kinetics, associated changes in Pi protonation, and changes of the F1-ATPase structure in the 40° substep. Important elements of the molecular mechanism of Pi release emerging from our simulations appear to be conserved in myosin despite the different functional motions.
Nurses' exhaustion: the role of flow at work between job demands and job resources.

AIM In the light of the job demands-resources model, this study aimed to detect the mediating role of flow at work between job demands and job resources on one side, and exhaustion on the other. BACKGROUND In a historical period where it is necessary to reduce the abandonment of nursing profession, flow is a useful tool to investigate the factors that can promote work motivation and prevent psychological distress. METHOD A cross-sectional study was conducted in a hospital, and 279 nurses completed a questionnaire. Analyses conducted are descriptive statistics, alphas, correlations and a structural equations model that considers the mediating role of flow at work. RESULTS Findings show both the central role of job resources in determining flow at work, and the mediating role of flow at work in decreasing exhaustion, starting from job resources, and in decreasing the effect of job demands on exhaustion. Moreover, flow at work directly decreases exhaustion. CONCLUSIONS Results show the relevance of containing job demands and provide job resources to promote positive experiences at work. IMPLICATIONS FOR NURSING MANAGEMENT To promote flow at work, organizations should offer specific resources, such as supervisors' support, job autonomy, and psychological support to manage the emotional charge.
Qualitative systematic reviews: their importance for our understanding of research relevant to pain

This article outlines what a qualitative systematic review is and explores what it can contribute to our understanding of pain. Many of us use evidence of effectiveness for various interventions when working with people in pain. A good systematic review can be invaluable in bringing together research evidence to help inform our practice and help us understand what works. In addition to evidence of effectiveness, understanding how people with pain experience both their pain and their care can help us when we are working with them to provide care that meets their needs. A rigorous qualitative systematic review can also uncover new understandings, often helping illuminate ‘why’ and can help build theory. Such a review can answer the question ‘What is it like to have chronic pain? ’ This article presents the different stages of meta-ethnography, which is the most common methodology used for qualitative systematic reviews. It presents evidence from four meta-ethnographies relevant to pain to illustrate the types of findings that can emerge from this approach. It shows how new understandings may emerge and gives an example of chronic musculoskeletal pain being experienced as ‘an adversarial struggle’ across many aspects of the person’s life. This article concludes that evidence from qualitative systematic reviews has its place alongside or integrated with evidence from more quantitative approaches.
Smooth Approximations to Nonlinear Complementarity Problems

It is well known that a nonlinear complementarity problem (NCP) can be formulated as a system of nonsmooth equations. Chen and Mangasarian [Comput. Optim. Appl. , 5 (1996), pp. 97--138] proposed a class of parametric smooth functions by twice integrating a probability density function. As a result, the nonsmooth equations can be approximated by smooth equations. This paper refines the smooth functions proposed by Chen and Mangasarian and investigates their structural properties. The refinement allows us to establish the existence, uniqueness, and limiting properties of the trajectory defined by the solutions of these smooth equation approximations. In addition, global error bounds for the NCP with a uniform P-function are obtained.
Electronegativity, Hardness and Atomic number: Mutual relationships explored via novel isoelectronic series methodology

The novel isoelectronic methodology proposed recently, reveals electronic configuration dependent relationship between the hardness and atomic number, and electronegativity and hardness. Â In eight out of the first ten isoelectronic series, the hardness measure (I-A)/2 is an excellent linear function of atomic number (Z), and the electronegativity measure, (I+A)/2 is a quadratic function of the hardness measure; Hence, it is inferred that hardness (I·) is proportional to atomic number (I· I± Z) and electronegativity (I‡) is proportional to square of hardness (I‡ I± I·2). In both the cases, the two inert gas series species are the exceptions where I· I± Z2 and I‡ I± I·, respectively. These relationships are slightly in discord with the previously reported mutual connections. Previous reports do not indicate electronic configuration dependency as well. The linear (I-A)/2 versus Z plots arises as a result of cancellation of Z2 terms, and the slopes of these plots are sensitive indicator of the electron spin pairing and orbital change. A potential use of (I-A)/2 versus Z, and (I+A)/2 versus (I-A)/2 plots in pointing the incorrect ionization potentials and their evaluation has been elaborated by the striking example of the sixth ionization potential of phosphorous. The (I-A)/2 versus Z relations also provides us a new way to obtain hardness values of cationic and anionic atomic species.
Evaluating The Validity Of Capm In The Egyptian Stock Market

Measuring stocks’ expected return and determining the factors that affect this return are the main concerns of market practitioners and academic scientists. The most famous and simplest model that is used to calculate expected return for securities under risk is: Capital Asset Pricing Model (CAPM). The purpose of this study is to test the validity of CAPM in the Egyptian Stock Market for the period from June 2005 to June 2013 using portfolios instead of individual stock, to determine whether beta is a sufficient measure of risk according to CAPM. The study found that CAPM didn’t hold in the Egyptian market, as beta was found to be not the only source of risk, also it was found that the intercept of CAPM was not equal to the risk free rate available in the Egyptian market. However the results confirmed the existence of positive linear relationship between risk and return. 1.Introduction Analyzing the performance of the stocks' return is the main topic of finance, there was always an interest and concern about the models and theories that can be used to determine the proper value of any stock at any time, also finding out the portfolio that reflects the preferences of every investor. It started with the equilibrium market concept which proposed that the prices of the stocks would increase if the demand on it increases, which is not the case in real markets. Using these models would enable market participants to identify mispriced assets either the overpriced or the underpriced ones, moreover they can be used to estimate cost of equity for corporations which will provide help for the budgeting process (Sawa
Semi-Supervised Learning for Few-Shot Image-to-Image Translation

In the last few years, unpaired image-to-image translation has witnessed Remarkable progress. Although the latest methods are able to generate realistic images, they crucially rely on a large number of labeled images. Recently, some methods have tackled the challenging setting of few-shot image-to-image ranslation, reducing the labeled data requirements for the target domain during inference. In this work, we go one step further and reduce the amount of required labeled data also from the source domain during training. To do so, we propose applying semi-supervised learning via a noise-tolerant pseudo-labeling procedure. We also apply a cycle consistency constraint to further exploit the information from unlabeled images, either from the same dataset or external. Additionally, we propose several structural modifications to facilitate the image translation task under these circumstances. Our semi-supervised method for few-shot image translation, called \emph{SEMIT}, achieves excellent results on four different datasets using as little as 10\% of the source labels, and matches the performance of the main fully-supervised competitor using only 20\% labeled data. Our code and models are made public at: \url{https://github.com/yaxingwang/SEMIT}.
Optical coherence tomography microscopy in experimental traumatic brain injury

Worldwide elderly traumatic brain injury (TBI) patients tend to become an increasing burden to the society. Thus, a faster and less expensive way of evaluating TBI victims is needed. In the present study we investigated if optical coherence tomography (OCT) could be used as such a method. By using an animal model, we established if OCT can detect cortical changes in the acute phase of a penetrating TBI, in young (5–7 months) and old (20–22 months) rats. Due to the long‐term evolution of TBI's, we wanted to investigate to what extent OCT could detect changes within the cortex in the chronic phase. Adult (7–12 months) male rats were used. Surprisingly, OCT imaging of the normal hemisphere was able to discriminate age‐related differences in the mean gray values (MGV) of recorded pixels (p = .032). Furthermore, in the acute phase of TBI, OCT images recorded at 24 hr after the injury showed differences between the apparent damaged area of young and aged animals. Changes of MGV and skewness were only recorded 48 hr after injury. Monitoring the chronical evolution of the TBI with OCT revealed changes over time exceeding the normal range recorded for MGV, skewness and kurtosis, 14 and 21 days after TBI. Although in the present study we still used an extremely invasive approach, as technology improves, less invasive and non‐harmful ways of recording OCT may allow for an objective way to detect changes within the brain structure after brain injuries.
Studies of the cations in semen.

The results of studies of cations in mammalian semen are reviewed. Sodium and potassium are the predominant cations in human dog rabbit ram bull and fowl semen. Sodium is more highly concentrated in spermatozoa than seminal plasma while the reverse holds for potassium. Potassium disappears from spermatozoa and sodium accumulates in the cells when dog semen is cooled to 5 degrees C; incubation to 37 degrees C reverses the process. It is apparent that cation transport in dog spermatozoa is strongly influenced by metabolism. The dilution and washington of semen even in an isotonic medium containing a glycolysable sugar impairs the motility metabolism and fertilizing capacity of spermatozoa. This is thought to be due to the removal of essential components from inside the cell. Exposure of spermatozoa to cold shock results in irreversible loss of motility and also causes a decrease in the rate of fructose breakdown oxygen uptake and a decline in ATP. Cold shock often results in the loss of potassium and magnesium from and the accumulation of sodium and calcium in bull and ram spermatozoa and to a lesser extent in human dog rabbit and fowl spermatozoa. The movement of ions after cold shocking and deep-freezing is in the direction of the concentration gradient. Low concentrations of potassium have beneficial effects on the motility and metabolism of washed diluted or dialysed bull and ram spermatozoa but high concentrations will impair their viability. However cation analyses of human seminal plasma did not reveal a correlation between sperm viability and seminal plasma concentrations of sodium potassium calcium and magnesium. It has been confirmed that low concentrations of potassium stimulate the oxidative metabolism and aerobic glycolysis of glucose or fructose in spermatozoa.
Genetic diversity assessment among advanced breeding lines of castor (Ricinus communis L.)

Castor (Ricinus communis L.) a non edible oilseed crop belongs to the family Euphorbiacea. Castor is cultivated mainly for industrial trade as non edible oil, since it has no food value.Based on the D2 statistic 51 castor genotypes were grouped into three clusters. Cluster I was the largest with maximum number of genotypes (49). Cluster II and cluster III were solitary cluster with single genotype.Plant height up to primary spike ranked first for 340 times with a maximum contribution of 26.67% to the total divergence followed by number of capsules on primary spike. The inter-cluster distances varied from 31.64 (between clusters I and II) to 40.31 (between clusters I and III). All the other inter-cluster D2 values were lying between these values. These values suggest that the genotypes from distant clusters exhibit wide diversity. Hence genotypes from divergent clusters should be selected for breeding programme for generating wide spectrum of variability and for selecting superior lines. Cluster I had maximum intracluster distance followed by cluster II. Therefore, it would be desirable to attempt crosses between genotypes belonging to distant clusters for getting highly heterotic crosses. The intracluster D2 values of any cluster were less than the intercluster D2 values of any two closely related clusters. Genotypes grouped into the same cluster presumably diverge little from one another. Theoretically, crossing of genotypes belonging to the same cluster is not expected to yield superior hybrids or segregants.
Thermodynamic Properties of Individual Substances

v. 1. Elements O, HD, T, F, Cl, Br, I, He, Ne, Ar, Kr, Xe, Rn, S, N, P, and their compounds. pt. 1. Methods and computation. pt. 2. Tables v. 2. Elements C, Si, Ge, Sn, Pb, and their compounds. pt. 1. Methods and computation. pt. 2. Tables v. 3. Elements B, Al, Ga, In, Tl, Be, Mg, Ca, Sr, Ba, and their compounds. pt. 1. Methods and computation. pt. 2. Tables.
Different Modulatory Effects of Four Methicillin-Resistant Staphylococcus aureus Clones on MG-63 Osteoblast-Like Cells

Staphylococcus aureus is a Gram-positive bacterium responsible for a variety of mild to life-threatening infections including bone infections such as osteomyelitis. This bacterium is able to invade and persist within non-professional phagocytic cells such as osteoblasts. In the present study, four different S. aureus strains, namely, 2SA-ST239-III (ST239), 5SA-ST5-II (ST5), 10SA-ST228-I (ST228), and 14SA-ST22-IVh (ST22), were tested for their ability to modulate cell viability in MG-63 osteoblast-like cells following successful invasion and persistence. Methicillin-sensitive S. aureus (MSSA) ATCC-12598-ST30 (ST30) was used as control strain. Despite being proven that ST30, ST239, and ST22 have a similar ability to internalize and persist in MG-63 osteoblast-like cells under our experimental conditions, we demonstrated that the observed decrease in cell viability was due to the different behavior of the considered strains, rather than the number of intracellular bacteria. We focused our attention on different biochemical cell functions related to inflammation, cell metabolism, and oxidative stress during osteoblast infections. We were able to show the following: (1) ST30 and ST239 were the only two clones able to persist and maintain their number in the hostile environment of the cell during the entire period of infection; (2) ST239 was the only clone able to significantly increase gene expression (3 and 24 h post-infection (p.i.)) and protein secretion (24 h p.i.) of both interleukin-6 (IL-6) and tumor necrosis factor alpha (TNF-α) in MG-63 osteoblast-like cells; (3) the same clone determined a significant up-regulation of the transforming growth factorbeta 1 (TGF-β1) and of the metabolic marker glyceraldehyde 3-phosphate dehydrogenase (GAPDH) mRNAs at 24 h p.i. ; and (4) neither the MSSA nor the four methicillin-resistant S. aureus (MRSA) strains induced oxidative stress phenomena in MG-63 cells, although a high degree of variability was observed for the different clones with regard to the expression pattern of nuclear factor E2-related factor 2 (Nrf2) and its downstream gene heme oxygenase 1 (HO-1) activation. Our results may pave the way for an approach to S. aureus-induced damage, moving towards individualized therapeutic strategies that take into account the differences between MSSA and MRSA as well as the distinctive features of the different clones. This approach is based on a change of paradigm in antibiotic therapy involving a case-based use of molecules able to counteract pro-inflammatory cytokines activity such as selective cytokine signaling inhibitors (IL-6, TNF-α).
Characterization of Clostridioides difficile Strains, the Disease Severity, and the Microbial Changes They Induce

Background: Clostridioides difficile infection (CDI) is a major nosocomial disease. The characteristics of different strains, the disease severity they cause, their susceptibility to antibiotics, and the changes they inflict on gut microbiome, have not been comprehensively studied in Israel. Methods: A severity score was calculated for 70 patients. Stool samples were tested for toxins presence using a special kit. Bacteria were isolated, identified by matrix-assisted laser desorption ionization-time of flight (MALDI-TOF) and antibiotic susceptibility tests were performed for several antibiotics. Strains were classified by Multi-locus sequence typing (MLST), and changes in gut microbiome were tested. Results: ST04 (22.5%) and ST37 (12.7%) were the most frequent strains. Clade (phylogenetic lineage) 1 was the most (81.4%) prevalent. We found significant associations between ST and age (p = 0.024) and between ST and moxifloxacin susceptibility (p = 0.001). At the clade level, we found significant associations with binary toxin gene occurrence (p = 0.002), and with susceptibility to both metronidazole and vancomycin (p = 0.024, 0.035, respectively). Differences in intestine microbiome were affected by age, clades’ distribution and STs. Conclusions: By defining the characteristics of the different strains and clades, clinicians can choose medical interventions based on the predicted response or disease severity associated with each strain, enabling new advances in the field of personalized medicine.
The Tight Bound for Pure Price of Anarchy in an Extended Miner's Dilemma Game

Pool block withholding attack is performed among mining pools in digital cryptocurrencies, such as Bitcoin. Instead of mining honestly, pools can be incentivized to infiltrate their own miners into other pools. These infiltrators report partial solutions but withhold full solutions, share block rewards but make no contribution to block mining. The block withholding attack among mining pools can be modeled as a non-cooperative game called "the miner's dilemm", which reduces effective mining power in the system and leads to potential systemic instability in the blockchain. However, existing literature on the game-theoretic properties of this attack only gives a preliminary analysis, e.g., an upper bound of 3 for the pure price of anarchy (PPoA) in this game, with two pools involved and no miner betraying. Pure price of anarchy is a measurement of how much mining power is wasted in the miner's dilemma game. Further tightening its upper bound will bring us more insight into the structure of this game, so as to design mechanisms to reduce the systemic loss caused by mutual attacks. In this paper, we give a tight bound of (1, 2] for the pure price of anarchy. Moreover, we show the tight bound holds in a more general setting, in which infiltrators may betray.We also prove the existence and uniqueness of pure Nash equilibrium in this setting. Inspired by experiments on the game among three mining pools, we conjecture that similar results hold in the N-player miner's dilemma game (N>=2).