Miracle-dz/UniFAR-FTUs huggingface dataset:
SAR and pharmacophore models for the rhodanine inhibitors of Plasmodium falciparum enoyl‐acyl carrier protein reductase

Significance of type II fatty acid synthase pathway in the life cycle of malarial parasite has long been established. Enoyl acyl carrier protein (ACP) reductase of Plasmodium falciparum (PfENR) is the rate determining enzyme of its elongation module. Hence, PfENR has been a target for the development of antimalarials as well as vaccines. Towards this endeavour, we had recently identified rhodanine class of compounds as inhibitors of PfENR. Here, we report a number of new inhibitors belonging to this class. These inhibitors have been divided into two broad subclasses: rhodanine‐furans and rhodanine‐phenyls. The inhibitory activity of all compounds was determined against purified PfENR. IC50 of these compounds were found to be in nanomolar to low‐micromolar range. The structure–activity relationship of both the classes has been explored in detail for the first time. Separate 3D pharmacophore models for this enzyme have been generated for both rhodanine furans and phenyls. The pharmacophore model for rhodanine furan has a Hydrogen bond donor, two Hydrogen bond acceptors, two metal ligators, three hydrophobic, and two aromatic ring features, whereas the pharmacophore model for the phenyl subclass has two hydrogen bond donors, two hydrogen bond acceptor, a metal ligator, two hydrophobic, and two aromatic ring features. These models could be used for in silico screening of compound libraries for PfENR inhibitors. © 2010 IUBMB IUBMB Life, 62(3): 204–213, 2010
Taking responsibility for complexity - ODI Briefing Papers 68

• It is crucial to recognise when policy and programming faces complexity, rather than sweeping it under the carpet • Traditional approaches to implementation do not apply when it comes to complex problems, and can have serious sideeffects • Appropriate responses need to work with the constraints on where, when and how knowledge and decision making can be linked Many of the problems that face policy-makers are complex. Implementation must often contend with interlinked problems, navigate non-linear and unpredictable change processes, and engage a diverse range of stakeholders (Ramalingam and Jones, 2008). This Briefing Paper builds on ODI research over three years to review the implications of complexity for policy and programme implementation. It has three aims: to give readers the tools to decide when a problem is complex, outline why this matters, and provide guidance on how to achieve results in the face of complexity. There is a growing collection of models, tools and approaches to intervene effectively in the face of these so-called ‘wicked’ problems to help implementers deal with the challenges more systematically, explicitly and rationally. However, attempting to address complexity is a double-edged sword. On the one hand there are tools to use and growing legitimacy for approaches not previously seen as ‘scientific’ or ‘rigorous’. On the other hand, it means giving visibility to some practices that were once hidden from sight. Actors will find themselves held accountable for aspects of their work that used to slip beneath the radar, such as the political and relational challenges of implementation. This may be an uncomfortable transition. However, it is essential in order to ensure the effective implementation of policies and programmes.
An analytical G/M/1 queueing model for providing guaranteed QoS in multimedia surveillance

Data gathering in a timely and reliable fashion has been a key concern in Wireless Sensor Networks (WSNs) particularly related to military and surveillance applications. The introduction of real time communication has created additional challenges in this area with different communication constraints. Since sensor networks represent a new generation of time-critical applications, it is often necessary for communication to meet real time constraints. However, research dealing with providing QoS guarantees for real time traffic in sensor networks is still immature. Further, recently it has been shown that traffic arrival process in WSN does not follow the traditional Poisson model. Instead, it is found that an ON/OFF model is found to be most suitable to capture the bursty source traffic in WSN. To overcome the limitations in the area of performance evaluation of wireless sensor network, this paper proposes a novel analytical framework. The proposed analytical framework is based on a traffic model which is similar to an ON/OFF process, exhibits self-similar and long-range dependant characteristics. To provide performance guarantees to different applications in WSNs, the traffic model contemplates multiple classes of traffic. We analyze the model on the basis of G/M/1 queuing system with a novel scheduling mechanism and find exact packet delay for corresponding traffic classes.
Expected Constraints on the Generalized Chaplygin Equation of State from Future Supernova Experiments and Gravitational Lensing Statistics

This paper aims to study the use of future Supernova/Acceleration Probe data, together with the result of searches for strong gravitational lenses in future large quasar surveys to constrain the generalized Chaplygin gas (GCG) model, with equation of state p = -A/ρα, where A is a positive constant and 0 < α ≤ 1. The GCG is considered a possible unification scheme for dark matter-dark energy. It is found that both experiments should be able to place important constraints on the model, especially when both tests are used together.
Precision Medicine With Point-of-Care Ultrasound: The Future of Personalized Pediatric Emergency Care

Abstract The Precision Medicine Initiative spearheaded by the National Institute of Health has pioneered a new model of health care focused on health care delivery that is tailored to an individual. Medical advances have already provided clinicians with the tools to better predict treatment outcomes based on the individual needs of each patient's disease process. Three-dimensional printing allows medical devices and implants to be custom made-to-order. Technological advances in preoperative imaging have augmented the ability for surgeons to plan a specific surgical approach for each patient. In a similar vein, point-of-care ultrasound offers the emergency care provider an opportunity to move beyond protocols and provide precise medical care tailored to the acute needs of each ill or injured emergent patient. In this article, we explore several cutting-edge applications of point-of-care ultrasound that can help providers develop a personalized approach to resuscitation and emergent procedures in pediatrics.
Validation of a Chronotype Questionnaire Including an Amplitude Dimension

The aim of this paper was to validate a French version of the Chronotype Questionnaire (Ogińska, 2011, Pers. Individ. Dif. 50:1039–1043), which represents an interesting novelty in the psychometric assessment of chronotype, because it comprises not only an assessment of the morningness-eveningness (ME) dimension, but also a distinctness (DI) dimension (i.e., amplitude), which represents the range of diurnal variation. In study 1, we aimed to confirm the structure of the Chronotype Questionnaire, with two different samples, young adults (n = 338, mean ± SD = 18.70 ± 1.12 yrs, 244 men and 94 women) and old adults (n = 477, mean ± SD = 55.92 ± 11.9 yrs, 168 men and 310 women). The confirmatory factor analysis (CFA) indicated a poor fit in both samples as well as in the whole sample, which could be due to some inconsistencies in the original instrument, above all in the distinctness dimension. We therefore decided to revise the Chronotype Questionnaire, keeping the ME dimension, but refining the DI dimension. In study 2, with a new sample of 197 participants (mean ± SD = 22.71 ± 2.23 yrs, 105 men and 92 women), we examined the factor structure of the revised scale containing 18 items. The resulting questionnaire contained 16 items (i.e., 8 items on each scale), with item factor loadings higher than . 45. In study 3, we aimed to confirm the factor structure of the instrument developed in study 2 as well as to examine its convergent validity, with a new sample of 158 participants (mean ± SD = 55.92 ± 11.9 yrs, 97 men and 61 women). Results of the CFA showed that a good fit of the model could be obtained with 16 items in the questionnaire. The new questionnaire derived from the original Chronotype Questionnaire was from now on called the Caen Chronotype Questionnaire (CCQ). Convergence validity was obtained with the Horne and Östberg questionnaire and the ME scale of the CCQ, showing a negative significant relationship (r = −.82). The CCQ showed promising psychometric qualities, and further research should aim to combine it with physiological variables.
The Effect of Statins on Circulating Endothelial Progenitor Cells in Humans: A Systematic Review

Abstract: Numerous clinical trials have demonstrated early reductions in cardiovascular events occurring independently of the lipid-lowering effects of statins. These pleiotropic effects have been attributed to antiinflammatory properties, to atherosclerotic plaque stabilization, and more recently to mobilization of endothelial progenitor cells (EPCs). Our aim was to evaluate the evidence supporting statin-induced EPC mobilization in humans. We, therefore, performed a computerized literature search and systematic review of randomized trials to determine the effect of statin therapy and statin dosing on circulating EPC numbers. Our literature search identified 10 studies including 479 patients which met inclusion criteria with publication dates ranging from 2005 to 2011. Seven studies compared statin to nonstatin regimens whereas 3 studied low versus high-dose statin therapy. Reported increases in EPC number ranged from 25.8% to 223.5% with a median reported increase of 70.2% when compared to nonstatin regimens with 7 of 10 studies reporting significant increases. Considerable heterogeneity exists in regard to patient population, statin regimens, and the definition of an EPC within the identified studies. In conclusion, randomized studies in humans suggest that statin therapy mobilizes EPCs into the circulation. Larger randomized studies using uniform definitions are needed to definitively establish this effect.
Using mobile phones for public participation with local government in Cape Town

Although governments around the world have welcomed the idea of promoting interactions with citizens during their process of decision-making, research has indicated that fear, the level of trust in the government, and privacy are among the reasons for reluctance and apathy from citizens towards interacting with their government. This study aims to determine the extent to which trust, expectancy, social influence, and incentives will influence mobile interaction with the government. A survey approach was used to sample Capetonians about mobile participation with their local government. Results indicate that respondents were not willing to participate in their local government because they did not trust the government to protect their privacy. However, respondents were willing to use their mobile phones to report damaged infrastructure or service delivery issues. From the various incentives that were suggested, benefit to the community was a popular choice. Recommendations for promoting mobile participation include introducing non-monetary incentives as well as mobile applications that will provide the user with convenience, cost efficiency, and an assurance of their privacy.
When QualityAssistant Meets Pharo: Enforced Code Critiques Motivate More Valuable Rules

Static analysis tools can aid in software quality assessment, but are rarely used by software developers. Poor usage of quality analysis tools not only means missed opportunities for the quality of software systems, but also results in little feedback, which in turn slows the improvements of the quality rules themselves. We introduced a set of intrusive quality plugins and integrated them into the Pharo IDE. This not only triggered a feedback loop that led to improvements of the existing rules, but also encouraged removal of some rules and integration of new ones. Our analysis of changes to the rules suggests that precise rules capturing a domain-specific logic are more valuable than general ones.
Comparative Analysis of Different Models of Electric Arc Furnace

The nonlinear and time varying nature of Electric Arc Furnace (EAF) causes power quality problems such as harmonics, flicker and voltage /current imbalances. In order to analyze the power quality of power system containing EAF, mathematical model of arc furnace becomes useful and informative. This paper presents different models of alternating current operated arc furnace to analyze the power quality in electric power system. The behavior of these models under static and dynamic conditions is studied. A comparison is also made between these models of arc furnace. Simulation results in MATLAB/ SIMULINK shows the voltage/current wave forms and percentage harmonic component in arc furnace system.
Brightness/darkness induction and the genesis of a contour

Visual contours often result from the integration or interpolation of fragmented edges. The strength of the completion increases when the edges share the same contrast polarity (CP). Here we demonstrate that the appearance in the perceptual field of this integrated unit, or contour of invariant CP, is concomitant with a vivid brightness alteration of the surfaces at its opposite sides. To observe this effect requires some stratagems because the formation in the visual field of a contour of invariant CP normally engenders the formation of a second contour and then the rise of two streams of induction signals that interfere in different ways. Particular configurations have been introduced that allow us to observe the induction effects of one contour taken in isolation. I documented these effects by phenomenological observations and psychophysical measurement of the brightness alteration in relation to luminance contrast. When the edges of the same CP complete to form a contour, the background of homogeneous luminance appears to dim at one side and to brighten at the opposite side (in accord with the CP). The strength of the phenomenon is proportional to the local luminance contrast. This effect weakens or nulls when the contour of the invariant CP separates surfaces filled with different gray shades. These conflicting results stimulate a deeper exploration of the induction phenomena and their role in the computation of brightness contrast. An alternative perspective is offered to account for some brightness illusions and their relation to the phenomenal transparency. The main assumption asserts that, when in the same region induction signals of opposite CP overlap, the filling-in is blocked unless the image is stratified into different layers, one for each signal of the same polarity. Phenomenological observations document this “solution” by the visual system.
PLA-HPC Fibrous Membranes for Temperature-Responsive Drug Release

In this study, Polylactic acid and Hydroxypropyl cellulose (PLA-HPC) fibers were fabricated by electrospinning. Methylene blue (MEB), as a model hydrophilic drug was embedded into PLA-HPC fibrous membranes. SEM results depicted that fibers are smooth, cylindrical, uniform and it confirmed the incorporation of MEB in PLA fibers alter the fibers morphology. Studies show the on-demand release of drug from PLA-HPC fibrous membranes under temperature stimuli which were absent in membranes manufactured out of PLA. This can be attributed to reversible volume phase transitions of HPC molecules in response to applied external temperature. This study may provide more efficient strategies for developing materials with on-demand drug release capability.
Bringing Deployable Key Transparency to End Users

We present CONIKS, an end-user key verification service capable of integration in end-to-end encrypted communication systems. CONIKS builds on related designs for transparency of web server certificates but solves several new challenges specific to key verification for end users. In comparison to prior designs, CONIKS enables more efficient monitoring and auditing of keys, allowing small organizations to effectively audit even very large key servers. CONIKS users can efficiently monitor their own key bindings for consistency, downloading less than 20 kB per day to do so even for a provider with billions of users. CONIKS users and providers can collectively audit providers for non-equivocation, and this requires downloading a constant 2.5 kB per day regardless of server size. Unlike any previous proposal, CONIKS also preserves the level of privacy offered by today’s major communication services, hiding the list of usernames present and even allowing providers to conceal the total number of users in the system.
On statistical query sampling and NMR quantum computing

We introduce a "statistical query sampling" model, in which the goal of an algorithm is to produce an element in a hidden set S/spl sube/{0,1}/sup n/ with reasonable probability. The algorithm gains information about S through oracle calls (statistical queries), where the algorithm submits a query function g(/spl middot/) and receives an approximation to Pr/sub x/spl isin/S/[g(x)=1]. We show how this model is related to NMR quantum computing, in which only statistical properties of an ensemble of quantum systems can be measured, and in particular to the question of whether one can translate standard quantum algorithms to the NMR setting without putting all of their classical postprocessing into the quantum system. Using Fourier analysis techniques developed in the related context of statistical query learning, we prove a number of lower bounds (both information-theoretic and cryptographic) on the ability of algorithms to produce an x/spl isin/S, even when the set S is fairly simple. These lower bounds point out a difficulty in efficiently applying NMR quantum computing to algorithms such as Shor's and Simon's algorithm that involve significant classical postprocessing. We also explicitly relate the notion of statistical query sampling to that of statistical query learning.
Alteration of Endoplasmic Reticulum Lipid Rafts Contributes to Lipotoxicity in Pancreatic β-Cells*

Background: Saturated fatty acids disrupt protein trafficking and promote endoplasmic reticulum (ER) stress in pancreatic β-cells. Results: Chronic palmitate selectively reduces ER sphingomyelin and cholesterol and disrupts ER lipid rafts. Conclusion: Altered ER lipid rafts contribute to defective ER protein export. Significance: This provides novel insights into the mechanisms of β-cell death that underlie type 2 diabetes. Chronic saturated fatty acid exposure causes β-cell apoptosis and, thus, contributes to type 2 diabetes. Although endoplasmic reticulum (ER) stress and reduced ER-to-Golgi protein trafficking have been implicated, the exact mechanisms whereby saturated fatty acids trigger β-cell death remain elusive. Using mass spectroscopic lipidomics and subcellular fractionation, we demonstrate that palmitate pretreatment of MIN6 β-cells promoted ER remodeling of both phospholipids and sphingolipids, but only the latter was causally linked to lipotoxic ER stress. Thus, overexpression of glucosylceramide synthase, previously shown to protect against defective protein trafficking and ER stress, partially reversed lipotoxic reductions in ER sphingomyelin (SM) content and aggregation of ER lipid rafts, as visualized using Erlin1-GFP. Using both lipidomics and a sterol response element reporter assay, we confirmed that free cholesterol in the ER was also reciprocally modulated by chronic palmitate and glucosylceramide synthase overexpression. This is consistent with the known coregulation and association of SM and free cholesterol in lipid rafts. Inhibition of SM hydrolysis partially protected against ATF4/C/EBP homology protein induction because of palmitate. Our results suggest that loss of SM in the ER is a key event for initiating β-cell lipotoxicity, which leads to disruption of ER lipid rafts, perturbation of protein trafficking, and initiation of ER stress.
Identification of elements in liquid-immersed particles by pulse CO2 laser-induced breakdown spectroscopy

New devised metal subtarget technique has been developed for specific applications of liquid analysis. Experimentally, liquid material was homogeneously poured on a surface of metal plate, which functions as a metal subtarget. The metal surface was then dried using drying machine. When a pulse CO2 laser (10.64 μm) was irradiated on a metal subtarget, a large-volume plasma was induced. During laser irradiation, a material target was vaporized and moved into the plasma region to be dissociated and excited. The technique was successfully used to identify major elements such as Ca and Mg in cement and to identify light elements such as C and H in gasoline liquid. Finally, the technique was also successfully employed to detect impurity element of Ca in human blood. This method is very potential to be applied for the analysis of liquid without tedious sample pretreatment.
PET TURTLES AS A CAUSE OF HUMAN SALMONELLOSIS.

An infected pet turtle was shown to be the source of a case of human salmonellosis. The investigations that followed this finding resulted in 16 serotypes of Salmonella being designated turtle-associated types. Epidemiologic follow-up of these serotypes demonstrated, in addition to the original case, five index cases where turtles were the source of infection. Nine additional patients with salmonellosis had owned turtles but they were unavailable for sampling. Of the 22 infected persons found, 6 had been hospitalized and 13 excreted salmonellae for over 30 days. The majority of those infected were under 6 years of age; however, three mothers were also infected. The chain of transmission could be broken by the strict adherence to sanitary procedures when handling turtles or the production and marketing of turtles and turtle food free of salmonellae.
Glucocorticoid Receptor Expression on Human B Cells in Response to Acute Heavy Resistance Exercise

Objective: To examine glucocorticoid receptor (GCR) expression on B lymphocytes in response to an acute bout of resistance exercise. Methods: Using a within-subject design, resistance-trained women (n = 7; age: 22.13 ± 3.09 years; height: 1.69 ± 0.084 m; body weight: 65.60 ± 10.01 kg; body mass index: 22.63 ± 2.03 kg/m2; means ± SD) and men (n = 8; age: 23.28 ± 4.26 years; height: 1.73 ± 0.086 m; body weight: 73.93 ± 12.71 kg; body mass index: 24.51 ± 2.61 kg/m2; means ± SD) performed an acute resistance exercise protocol (6 sets of 5 repetition maximum heavy squats) and a control test in a balanced, randomized order. Blood samples were obtained before, during, and immediately after exercise, and after 1, 6, and 24 h of recovery. GCR expression on circulating B lymphocytes was evaluated with flow cytometry, and circulating cortisol was assayed. Results: Resting GCR expression on B lymphocytes was similar between men and women. GCR expression was elevated in anticipation of exercise (p = 0.047), decreased during exercise (p = 0.049), and increased during recovery (p = 0.05 and p = 0.03 after 1 and 6 h of recovery, respectively). Trends for gender differences were apparent before and during exercise, and after 6 h of recovery. Men had significantly higher cortisol responses during (p = 0.002) and after exercise (p = 0.094) compared to before exercise. In women, however, circulating cortisol concentrations did not significantly increase in response to the squat exercise protocol. Conclusions: GCR expression on B lymphocytes decreased during resistance exercise and increased during recovery. Circulating cortisol increased during exercise in men only. Responses were attenuated in women compared to men. Our data provide insights into the temporal interactions between the endocrine and immune systems in response to acute heavy resistance exercise in men and women.