Miracle-dz/UniFAR-FTUs huggingface dataset:
ESOL: Estimating Aqueous Solubility Directly from Molecular Structure

This paper describes a simple method for estimating the aqueous solubility (ESOL--Estimated SOLubility) of a compound directly from its structure. The model was derived from a set of 2874 measured solubilities using linear regression against nine molecular properties. The most significant parameter was calculated logP(octanol), followed by molecular weight, proportion of heavy atoms in aromatic systems, and number of rotatable bonds. The model performed consistently well across three validation sets, predicting solubilities within a factor of 5-8 of their measured values, and was competitive with the well-established "General Solubility Equation" for medicinal/agrochemical sized molecules.
Target cell contact triggers expression and polarized transfer of Yersinia YopE cytotoxin into mammalian cells.

Pathogenic bacteria of the species Yersinia, including Yersinia pestis, block phagocytosis by macrophages. This process involves the YopE protein, which induces disruption of the host cell actin microfilament structure. Here, we show that the contact between the pathogen and the mammalian cell induces expression and then polarized transfer of YopE into the eukaryotic cell. While the bacteria remain at the surface of the target cell, the YopE cytotoxin is transferred through the host cell plasma membrane and YopE is only recovered within the cytosol of the target cell. The results suggest that the pathogen senses cell structures and focuses the transfer of YopE to occur solely at the interaction zone between the bacterium and the eukaryotic cell. The regulation of this process is shown to involve surface‐located YopN sensor protein of the bacterium.
Machiavellianism and decisions involving risk.

Previous experiments have shown that group decisions are more risky than individual decisions. ‘The best lead’, according to Marquis (1962), ‘is that the members whose initial decisions were the more risky are disproportionately influential. ’ The present paper investigates the influence of Machiavellianism on decisions involving risk of both individuals and groups. It seems that subjects scoring high on the Mach IV Scale tend to take higher risk decisions as individuals, and are influential in group discussions, bringing about group decisions which signify a shift in the direction of increased risk.
Impaired resistance to Mycobacterium tuberculosis infection after selective in vivo depletion of L3T4+ and Lyt-2+ T cells

The resistance of mice against Mycobacterium tuberculosis infection after selective in vivo depletion of L3T4+ and Lyt-2+ T cells was studied. Thymectomized mice were treated with rat monoclonal antibodies against the L3T4 or Lyt-2 molecule to selectively eliminate the respective T-cell subset. In both L3T4+ and Lyt-2+ T-cell-depleted mice, resistance against subsequent infection with M. tuberculosis was markedly impaired compared with that in untreated controls, with L3T4+ T-cell-depleted mice showing more pronounced effects. Simultaneous depletion of L3T4+ and Lyt-2+ T cells did not further exacerbate infection. These findings suggest that both L3T4+ and Lyt-2+ T cells are involved in the acquisition of resistance against tuberculosis.
An enhanced load power sharing strategy for low-voltage microgrids based on inverse-droop control method

It is important for an autonomous microgrid to share the load demand properly among multiple distributed generation (DG) units. Normally, the traditional ω-P and E-Q droop control method is used for its “plug and play” feature. However, when employed in a low-voltage microgrid, the conventional droop control is subject to the power coupling and steady-state reactive power sharing errors. Furthermore, the complex microgrid configurations often make the reactive power sharing more challenging. In this paper, an enhanced power sharing strategy is proposed based on inverse-droop control, which can behave well in low-voltage microgrids but has real power sharing errors. So a synchronous regulation process for real power sharing is added to inverse-droop control. After the regulation starts, an integration term is added to keep the well shared reactive power, and the real power errors are eliminated through the frequency regulation, just like the work of traditional droop control. Finally, the Matlab simulation results validate the feasibility of the proposed strategy.
A Fully Differential Rail-to-Rail CMOS Capacitance Sensor With Floating-Gate Trimming for Mismatch Compensation

This paper presents a fully differential capacitance sensor employing the CBCM technique to map differential input capacitances into rail-to-rail differential output voltages. The circuit has been designed for measuring capacitances in the plusmn25-fF range, appropriate for sensing live cells using on-chip microelectrodes. An array architecture based on a shielded current routing bus has been developed for incorporating the capacitance measurement circuit into sensor arrays, with each pixel comprising four minimum-size digital transistors, enabling high-density integration. In addition to improving spatial resolution, the shielded current bus also eliminates the need for individual pixel calibration, conserves sensor evaluation speed, and provides protection from junction leakage. The sensor employs a 3-phase clocking scheme that enables on-chip gain tuning. The paper also presents a modified version of the sensor circuit incorporating floating-gate transistors for mismatch compensation and output offset cancellation, performed using a combination of impact-ionized channel hot electron injection and Fowler-Nordheim tunneling mechanisms. Chips comprising both versions of the sensor circuits in test arrays employing the shielded current routing bus were fabricated in a commercially available 2-poly, 3-metal, 0.5-mum CMOS process. The sensor operation was demonstrated by measuring on-chip test capacitances comprising single and interdigitated metal electrodes, configured using different capacitance compensation schemes. The differential sensor in combination with the shielded current bus exhibits a maximum sensitivity of 200 mV/fF, a resolution of 15 aF, and an output dynamic range of 65 dB.
The Effects of Social Anxiety and State Anxiety on Visual Attention: Testing the Vigilance–Avoidance Hypothesis

A growing theoretical and research literature suggests that trait and state social anxiety can predict attentional patterns in the presence of emotional stimuli. The current study adds to this literature by examining the effects of state anxiety on visual attention and testing the vigilance–avoidance hypothesis, using a method of continuous visual attentional assessment. Participants were 91 undergraduate college students with high or low trait fear of negative evaluation (FNE), a core aspect of social anxiety, who were randomly assigned to either a high or low state anxiety condition. Participants engaged in a free view task in which pairs of emotional facial stimuli were presented and eye movements were continuously monitored. Overall, participants with high FNE avoided angry stimuli and participants with high state anxiety attended to positive stimuli. Participants with high state anxiety and high FNE were avoidant of angry faces, whereas participants with low state and low FNE exhibited a bias toward angry faces. The study provided partial support for the vigilance–avoidance hypothesis. The findings add to the mixed results in the literature that suggest that both positive and negative emotional stimuli may be important in understanding the complex attention patterns associated with social anxiety. Clinical implications and suggestions for future research are discussed.
A Graph Model for Hybrid Recommender System

Recommender systems are the capable systems of providing essential information and removing unessential information for Internet users. The recommender systems are built based on two main information filtering techniques: Collaborative filtering and content-based filtering. Each method exploits particular aspects related to content features or product usage habit of users in the past to predict a brief list of the most suitable items with each user. In this paper, we propose a new unify method between collaborative filtering recommendation and content-based filtering recommendation based on graph model. The model allows us to shift hybrid filtering recommender problem to collaborative filtering recommender problem, then build new similarity measures based on graph to determine similarities between two users or two items, these similar measures are used to predict suitable items for users in the system. The experimental results on real data sets show that the proposed methods achieve superior performance compared to baseline methods.
Cardiovascular and metabolic responses to noradrenaline in man, before and after acclimatization to cold in Antarctica

1. Four men of European descent were infused with noradrenaline at rates of 0·038, 0·075, 0·150 and 0·300 μg/kg.min in Australia, and again after 29 weeks' residence at Mawson, Antarctica. A concurrent study of their responses to whole‐body cooling showed that they acclimatized to cold in Antarctica.
Prédiction de performances d'applications de calcul haute performance sur réseau Infiniband

Afin de pouvoir repondre au mieux aux differents appels d'offres, les constructeurs de grappe de calcul ont besoin d'outils et de methodes permettant d'aider au mieux la prise de decisions en terme de design architectural. Nos travaux se sont donc interesses a l'estimation des temps de calcul et a l'etude de la congestion sur le reseau InfiniBand. Ces deux problemes sont souvent abordes de maniere globale. Neanmoins, une approche globale ne permet pas de comprendre les raisons des pertes de performance liees aux choix architecturaux. Notre approche s'est donc orientee vers une etude plus fine. Pour evaluer les temps de calcul, la demarche proposee s'appuie sur une analyse statique ou semistatique du code source afin de le decouper en blocs, avant d'effectuer un micro-benchmarking de ces blocs sur l'architecture cible. Pour l'estimation des temps de communication, un modele de repartition de bande passante pour le reseau InfiniBand a ete developpe, permettant ainsi de predire l'impact lie aux communications concurrentes. Ce modele a ensuite ete integre dans un simulateur pour etre valide sur un ensemble de graphes de communication synthetiques et sur l'application Socorro.
High-Speed, Single-Photon Avalanche-Photodiode Imager for Biomedical Applications

The design of a low-light level pixel in CMOS technology for biomedical applications is described. This pixel is also suitable for very high-speed applications, such as fluorescence lifetime imaging (FLIM) used for drug discovery and/or minimally-invasive optical biopsy. In order to achieve high-speed imaging using single-photon detection, a detector with a very low dead-time is needed. The single-photon avalanche-photodiode (SPAD) discussed in this work uses a mainstream deep-submicron CMOS technology in order to achieve ultrahigh-speed operation and high pixel fill-factor, with in-pixel active quench and reset circuits. The paper also presents an innovative approach for reducing the deadtime of the detector and an attractive technique for simultaneous high-speed image acquisition by all the pixels of an array in parallel.
When patients take the initiative to audio-record a clinical consultation

Objective to get insight into healthcare professionals’ current experience with, and views on consultation audio-recordings made on patients’ initiative. Method 215 Dutch healthcare professionals (123 physicians and 92 nurses) working in oncology care completed a survey inquiring their experiences and views. Results 71% of the respondents had experience with the consultation audio-recordings. Healthcare professionals who are in favour of the use of audio-recordings seem to embrace the evidence-based benefits for patients of listing back to a consultation again, and mention the positive influence on their patients. Opposing arguments relate to the belief that is confusing for patients or that it increases the chance that information is misinterpreted. Also the lack of control they have over the recording (fear for misuse), uncertainty about the medicolegal status, inhibiting influence on the communication process and feeling of distrust was mentioned. For almost one quarter of respondents these arguments and concerns were reason enough not to cooperate at all (9%), to cooperate only in certain cases (4%) or led to doubts about cooperation (9%). Bruinessen, I.R. van, Leegwater, B. , Dulmen, S. van. When patients take the initiative to audiorecord a clinical consultation. Patient Education and Counseling: 2017 This is a NIVEL certified Post Print, more info at http://www.nivel. eu Practice implications the many concerns that exist among healthcare professionals need to be tackled in order to increase transparency, as audio-recordings are expected to be used increasingly.
The last Pleniglacial and the human settlement of Central Europe: new information from the Rhineland site of Wiesbaden-Igstadt

AMS and other dating methods have been applied to the problem of Upper Palaeolithic occupation in Central Europe. The results from the excavations at the Rhineland site of Wiesbaden-Igstadt provide an opportunity for comparison and discussion of whether central Europe was really subject to abandonment at various times during Glacial/Pleniglacial episodes.
Reuse of nevirapine in exposed HIV-infected children after protease inhibitor-based viral suppression: a randomized controlled trial.

CONTEXT Protease inhibitor (PI)-based therapy is recommended for infants infected with human immunodeficiency virus (HIV) who were exposed to nevirapine for prevention of mother-to-child HIV transmission. However, there are limitations of continuing PI-based therapy indefinitely and reuse of nevirapine has many advantages. OBJECTIVE To test whether nevirapine-exposed infants who initially achieve viral suppression with PI-based therapy can maintain viral suppression when switched to nevirapine-based therapy. DESIGN, SETTING, AND PATIENTS Randomized trial conducted between April 2005 and May 2009 at a hospital in Johannesburg, South Africa, among 195 children who achieved viral suppression less than 400 copies/mL for 3 or more months from a cohort of 323 nevirapine-exposed children who initiated PI-based therapy before 24 months of age. INTERVENTIONS Control group children continued to receive ritonavir-boosted lopinavir, stavudine, and lamivudine (n = 99). Switch group children substituted nevirapine for ritonavir-boosted lopinavir (n = 96). MAIN OUTCOME MEASURES Children were followed up for 52 weeks after randomization. Plasma HIV-1 RNA of greater than 50 copies/mL was the primary end point. Confirmed viremia greater than 1000 copies/mL was used as a criterion to consider regimen changes for children in either group (safety end point). RESULTS Plasma viremia greater than 50 copies/mL occurred less frequently in the switch group (Kaplan-Meier probability, 0.438; 95% CI, 0.334-0.537) than in the control group (0.576; 95% CI, 0.470-0.668) (P = .02). Confirmed viremia greater than 1000 copies/mL occurred more frequently in the switch group (0.201; 95% CI, 0.125-0.289) than in the control group (0.022; 95% CI, 0.004-0.069) (P < .001). CD4 cell response was better in the switch group (median CD4 percentage at 52 weeks, 34.7) vs the control group (CD4 percentage, 31.3) (P = .004). Older age (relative hazard [RH], 1.71; 95% CI, 1.08-2.72) was associated with viremia greater than 50 copies/mL in the control group. Inadequate adherence (RH, 4.14; 95% CI, 1.18-14.57) and drug resistance (RH, 4.04; 95% CI, 1.40-11.65) before treatment were associated with confirmed viremia greater than 1000 copies/mL in the switch group. CONCLUSION Among HIV-infected children previously exposed to nevirapine, switching to nevirapine-based therapy after achieving viral suppression with a ritonavir-boosted lopinavir regimen resulted in lower rates of viremia greater than 50 copies/mL than maintaining the primary ritonavir-boosted lopinavir regimen. TRIAL REGISTRATION clinicaltrials.gov Identifier: NCT00117728.
Connections between adrenergic nerves and other tissue components in the eye.

The connections between adrenergic nerve fibres and other ocular structures were studied in normal embryonic material (man, dogs, cats, guinea-pigs, and rats) as well as with a special vessel injection technique (adult rats, guinea-pigs, and rabbits). It was established that adrenergic fibres are a normal constituent of the cornea. The adrenergic nerves were more numerous in the embryo than in the adult, and also occurred within the embryonic corneal epithelium. These intraepithelial fibres disappear shortly after birth. Adrenergic fibres running in the connective tissue without connection to vessels were further found in the iris, the limbus region, the chamber angle (of the guinea-pig predominantly) and in the chorioid. It cannot be excluded that these fibres innervate some connective tissue component. In the sphincter pupillae, only a few adrenergic fibres were connected to the vessels, such as was the case also in the ciliary muscle of the guinea-pig. Under the ciliary epithelium of the ciliary body and the ciliary processes there was a thick and dense plexus of adrenergic fibres. Only a restricted number of them was associated with the vessels. The “capillaries” of the ciliary processes were remarkable in that they seemed to possess adrenergic fibres. No adrenergic innervation to the melanophores was apparent.
Cattle as a possible source of verocytotoxin-producing Escherichia coli O157 infections in man

Summary In May-June 1992 cases of infection with verocytotoxin-producing (VT+) Escherichia coli O157 in South Yorkshire could have been associated with prior consumption of beef from a local abattoir. During investigation of the abattoir, bovine rectal swabs and samples of meat and surface swabs from beef carcasses were examined for E. coli O157, isolates of which were tested for toxigenicity, plasmid content and phage type. E. coli O157 was isolated from 84 (4%) of 2103 bovine rectal swabs; of these 84, 78 (93%) were VT+, the most common phage types being 2 and 8, the types implicated in the cluster of human cases. Positive cattle were from diverse sources within England. E. coli O157 was isolated from 7 (30%) of 23 carcasses of rectal swab-positive cattle and from 2 (8%) of 25 carcasses of rectal swab-negative cattle. The study has shown that cattle may be a reservoir of VT+ E. coli O157, and that contamination of carcasses during slaughter and processing may be how beef and beef products become contaminated and thereby transmit the organism to man.
Surgical Treatment of Acute Type A Aortic Dissection : In-Hospital Outcomes and Long-Term Follow-Up

Results During hospitalization 19 patients (30.1%) died: one death occurred at the operation room, 7 patients died due to ischemic complications or multi organ failure, 3 patients died of neurological complications, 5 of cardiac complications, 1 of gastrointestinal bleeding and 2 deaths were a consequence of multiple complications. Twelve patients (32.4%) died during follow-up (8 cardiac deaths and 4 non cardiac deaths). Multivariate analysis detected that low cardiac output and cardiac bypass pump (CBP) duration were associated with greater in-hospital mortality rates, while age >70 years and lower CBP duration correlated with greater long-term mortality. Survival rates at 1, 3, 5 and 10 years were 89%, 79,5%, 73% and 58%, respectively.
Functional implications of component commonality in operational systems

The application of commonality in a system represents an attempt to reduce costs by reducing the number of unique components. Research in this area has primarily addressed a significant benefit of commonality, the reduction of parts inventories in assemble-to-order manufacturing systems. Likewise, in an operational system subject to component failure, spares inventories are reduced through the increased commonality of components. However, commonality tends to degrade system performance parameters, a degradation that can preclude commonality in resource constrained systems such as spacecraft. The functional impacts of component commonality on a system are addressed in a manner that allows inclusion in a commonality analysis. >
Pregnancy health problems and low birth weight associated with maternal insecure attachment style

We aimed to determine the association between attachment style and health problems during pregnancy, as well as perinatal health variables. In 122 mothers who were 2–18 months postpartum, hot flushes, vaginal discharge, back pain, breast tenderness, hair changes, and psychological problems were shown to be associated with insecure attachment as measured by the Adult Attachment Style Questionnaires. Babies born to mothers with insecure attachment were more likely to have a low birth weight. It is vital to increase awareness of insecure attachment style as a risk factor among perinatal health care providers to optimize services.
Musculoskeletal disorders among first-year Ghanaian students in a nursing college.

OBJECTIVE To estimate the prevalence and extent of MSDs among a sample of freshmen in a nursing college in Ghana. METHODS A semi-structured self-reported questionnaire including the Nordic Musculoskeletal Questionnaire (NMQ) was used to collect information on age, gender and musculoskeletal complaints among a random sample of 200 students at a nursing and midwifery college in the Eastern region of Ghana. RESULTS Out of the 200 questionnaires administered, 160 were retrieved of which 3 were found to be incomplete and void, yielding a total of 157 evaluable questionnaires, a response rate of 78.5%. One hundred and ten (70.1%) students reported having MSDs in the previous 12 months, of which a total 88 (56.1%) suffered disabling effects, while 70(44.6%) students reported having MSDs in the past 7 days. The prevalence of MSDs in the different body regions was generally low with clustered distribution in the neck, upper back, wrists/hands and lower back. CONCLUSION Nursing students are at reasonably high risk of MSDs. Strategies to prevent this important public health problem amongst future generation of nursing students must be given utmost priority. This study provides the baseline data for more elaborative studies in the Ghanaian population.
Some Causes of Resonant Frequency Shifts in Atomic Beam Machines. I. Shifts Due to Other Frequencies of Excitation

The quantum theory of an atomic beam machine is set up in matrix form. A new method is then used to derive the Bloch‐Siegert shift in the resonance. The results are extended to the case of Ramsey‐type excitation. Finally the Bloch‐Siegert shift is computed for the present atomic beam frequency standards and found to be well below the accuracy of measurement.