Miracle-dz/UniFAR-FTUs huggingface dataset:
Evaluation of Virtual Screening Performance of Support Vector Machines Trained by Sparsely Distributed Active Compounds

Virtual screening performance of support vector machines (SVM) depends on the diversity of training active and inactive compounds. While diverse inactive compounds can be routinely generated, the number and diversity of known actives are typically low. We evaluated the performance of SVM trained by sparsely distributed actives in six MDDR biological target classes composed of a high number of known actives (983-1645) of high, intermediate, and low structural diversity (muscarinic M1 receptor agonists, NMDA receptor antagonists, thrombin inhibitors, HIV protease inhibitors, cephalosporins, and renin inhibitors). SVM trained by regularly sparse data sets of 100 actives show improved yields at substantially reduced false-hit rates compared to those of published studies and those of Tanimoto-based similarity searching method based on the same data sets and molecular descriptors. SVM trained by very sparse data sets of 40 actives (2.4%-4.1% of the known actives) predicted 17.5-39.5%, 23.0-48.1%, and 70.2-92.4% of the remaining 943-1605 actives in the high, intermediate, and low diversity classes, respectively, 13.8-68.7% of which are outside the training compound families. SVM predicted 99.97% and 97.1% of the 9.997 M PUBCHEM and 167K remaining MDDR compounds as inactive and 2.6%-8.3% of the 19,495-38,483 MDDR compounds similar to the known actives as active. These suggest that SVM has substantial capability in identifying novel active compounds from sparse active data sets at low false-hit rates.
Spatio‐temporal variation in lifelong telomere dynamics in a long‐term ecological study

Abstract Understanding individual‐level variation in response to the environment is fundamental to understanding life‐history evolution and population dynamics. Telomeres, the protective caps at the ends of chromosomes, shorten in response to oxidative stress, and telomere shortening is correlated with reduced survival and life span. Investigating telomere dynamics may help us quantify individual variation in the costs experienced from social and ecological factors, and enhance our understanding of the dynamics of natural populations. Here, we study spatio‐temporal variation in lifelong telomere dynamics in the Seychelles warbler, Acrocephalus sechellensis. We combine long‐term life history and ecological data with a large longitudinal dataset of mean telomere lengths, consisting of 1,808 samples from 22 cohorts born between 1993 and 2014. We provide a detailed analysis of how telomere dynamics vary over individual life spans and cohorts, and with spatio‐temporal variation in the social and ecological environment. We found that telomere length decreases with cross‐sectional and longitudinal measures of age, and most rapidly very early in life. However, both cross‐sectional and longitudinal data suggested that against this overall pattern of shortening, bouts of telomere length increase occur in some individuals. Using a large number of repeated measurements we show statistically that these increases are unlikely to be explained solely by qPCR measurement error. Telomere length varied markedly among cohorts. Telomere length was positively associated with temporal variation in island‐wide insect abundance—a key resource for the insectivorous Seychelles warbler—suggesting that the costs associated with living in harsher environments can be studied by investigating telomere dynamics. We also found evidence for sex‐specific relationships between telomeres and tarsus length, potentially reflecting differential costs of growth. Our long‐term data show that in a natural population, telomere dynamics vary in a complex manner over individual life spans, and across space and time. Variance in telomere dynamics among individuals is the product of a wide array of genetic, parental and environmental factors. Explaining this variation more fully will require the integration of comprehensive long‐term ecological and genetic data from multiple populations and species.
Dietary niche variation and its relationship to lizard population density

Insular species are predicted to broaden their niches, in response to having fewer competitors. They can thus exploit a greater proportion of the resource spectrum. In turn, broader niches are hypothesized to facilitate (or be a consequence of) increased population densities. We tested whether insular lizards have broader dietary niches than mainland species, how it relates to competitor and predator richness, and the nature of the relationship between population density and dietary niche breadth. We collected population density and dietary niche breadth data for 36 insular and 59 mainland lizard species, and estimated competitor and predator richness at the localities where diet data were collected. We estimated dietary niche shift by comparing island species to their mainland relatives. We controlled for phylogenetic relatedness, body mass and the size of the plots over which densities were estimated. We found that island and mainland species had similar niche breadths. Dietary niche breadth was unrelated to competitor and predator richness, on both islands and the mainland. Population density was unrelated to dietary niche breadth across island and mainland populations. Our results indicate that dietary generalism is not an effective way of increasing population density nor is it result of lower competitive pressure. A lower variety of resources on islands may prevent insular animals from increasing their niche breadths even in the face of few competitors.
Urinary fluoride levels in Saudi individuals drinking tap and bottled water

The fluoride concentration in the urine samples of 130 Saudi individuals aged 16-70 years old living in Riyadh was determined using a fluoride-specific electrode (0.9262 ± 0.703 μ g ml−1, 0.16-4.68 μ g ml−1). There were differences in the urinary fluoride levels of the subjects. About 45.5% of the subjects had urinary fluoride less than 0.7 μ g ml−1. Conversely, 22.3% of the screened subjects had urinary fluoride levels higher than 1.2 μ g ml−1; this could increase the risk of dental and skeletal fluorosis. Since drinking water is considered to be the major source of fluoride, it was measured in 88 drinking water samples. Significant correlation between fluoride in urine and drinking water was found (r = 0.4341, p = 0.0237). Bottled water had significantly higher fluoride content (0.5205 ± 0.322 μ g ml−1) than tap drinking water (0.1046 ± 0.0447 μ g ml−1). About 67% of the screened water samples had low fluoride concentrations (< 0.3 μ g ml−1) which is far below the recommended level for caries control.
The Walkerton E. coli outbreak: a test of Rasmussen's framework for risk management in a dynamic society

In May 2000, the water transportation system in Walkerton, Ontario (a small town with 4800 residents) became contaminated with E. coli bacteria, eventually causing seven people to die and 2300 to become sick. The 700-page report from a comprehensive public inquiry into this tragedy provided a rich source of data about the outbreak itself and the factors leading up to it. That report was used to test the explanatory adequacy of Rasmussen's framework for risk management in a dynamic society. Close agreement was observed between the predictions of the framework and the causes contributing to the Walkerton outbreak. The sequence of events reveals a complex interaction between all of the levels in a complex sociotechnical system spanning strictly physical factors, the unsafe practices of individual workers, inadequate oversight and enforcement by local government and a provincial regulatory agency and budget reductions imposed by the provincial government. Furthermore, the dynamic forces that led to the accident had been in place for some time—some going back 20 years—yet the feedback to reveal the safety implications of these forces was largely unavailable to the various actors in the system. Rasmussen's framework provides a theoretical basis for abstracting from the details of this particular incident, thereby highlighting generalizable lessons that might be used to ensure the safety of other complex sociotechnical systems.
Study of clinical profile of megaloblastic anemia: An experience of six year at Kathmandu University Hospital, Dhulikhel

Megaloblastic anemia is not uncommon, however varied of presentation makes difficult to come to conclusion. It’s more difficult when resources are limited. In this back ground clinical features of megaloblastic anemia are very important for diagnosis and treatment. It is a retrospective analysis of data from December 2003 to September 2009. During the period, bone marrow aspiration was done for analysis of cause and type of anemia.A total of 14 cases bone marrow findings was consistent with megaloblastic anemia. These reports were taken into consideration after pathologist impression. Serum Vitamin B12 and RBC folate were not done in view of limited resources and financial constrain. In the analysis 14 (11.96%) bone marrow findings were consistent with megaloblastic anemia. Regarding clinical presentation; pallor was 13 (92.85%) followed by glossitis 5 (35.71%) and Jaundice 5 (35.71%), paresthesia 3 (21.42%), and pigmentation, ataxia, confusion each case (7.14 %). Mostly the patients were between the 21- 40 years of age. Megloblastic anemia is common clinical problem with pallor and glossitis as major presentation. However some had neurological features. This disease can be diagnosed and treated on the basis of bone marrow aspiration when resources are limited. Journal of College of Medical Sciences-Nepal, 2011, Vol-7, No-2, 41-44 DOI: http://dx.doi. org/10.3126/jcmsn.v7i2. 6679
Seroprevalence of Cytomegalovirus among HIV-Infected Adult Patients on HAART

Background/Aims: Cytomegalovirus is one of the opportunistic infections associated with significantly high morbidity and mortality among patients living with HIV/AIDS. Clinical manifestation of CMV infection is worse among HIV patients not receiving highly active antiretroviral therapy (HAART) than those receiving HAART. This study is aimed at investigating the seroprevalence of CMV among HIV-infected adults on HAART. Study Design: This is a cross sectional study. Place and Duration of Study: HIV Outpatient Clinic of University of Benin Teaching Hospital between April and September, 2011. Methodology: A total of 342 HIV infected adult patients on HAART attending the HIV Outpatients Clinic of the University of Benin Teaching Hospital between April and September 2011, were screened for CMV IgG and IgM using ELISA method. Clinical Research Article International Journal of TROPICAL DISEASE & Health, 3(3): 233-241, 2013 234 stage of HIV disease and CD4+ cell counts were also evaluated. Data was analyzed using SPSS version 17. Results: Of the 342 patients studied 338 (98.8%) were sero-positive for CMV IgG antibodies while 24 (7.0%) demonstrated sero-positivity for CMV IgM antibodies. The seroprevalence of CMV IgM was significantly higher in patients in WHO clinical stages 34 (10.9%) than those in stages 1-2 (4.7%) (p = 0.04). There is no significant statistical difference in sereoprevalences of IgG and IgM with respect to sex, age, and CD4+ cell counts. Conclusion: Clinical stage of HIV/AID is an important risk factor for reactivation or reinfection of CMV and may prompt early diagnosis and management of active CMV infection.
Relationship between the quality of children's handwriting and the Beery Buktenica developmental test of visuomotor integration after one year of writing tuition.

OBJECTIVE We examined whether the three subtests of the Beery Buktenica developmental test of visuomotor integration predicted quality of handwriting across and within groups of boys and girls classified as proficient, at risk or non-proficient writers according to the Concise Assessment Scale for Children's Handwriting. METHOD The Beery Buktenica developmental test of visuomotor integration and the Concise Assessment Scale for Children's Handwriting tests were administered to 240 grade 2 children. RESULTS Proficient writers scored better on the visuomotor integration subtest than non-proficient writers, while proficient and at risk writers scored better than non-proficient writers on the motor coordination subtest. No differences were found on the visual perception subtest. Girls were more often classified as proficient writers than boys, and they scored better on the motor coordination subtest. Across groups, regression indicated that gender and both the visuomotor integration subtest and the motor coordination subtest were significant predictors for the quality of handwriting (i.e., accounted for 17% of the variance). CONCLUSIONS After one year of writing tuition, the visuomotor integration subtest (and to a lesser extent the motor coordination subtest) but not the visual perception subtest significant relates to quality of children's handwriting as measured with the Concise Assessment Scale for Children's Handwriting. However, the relatively little variance explained also points to other abilities and/or task constraints that underlie quality of handwriting.
Skeletal muscle strength in patients with cystic fibrosis

Little information is available about the role of skeletal muscle strength, including inspiratory and peripheral muscles, in patients with cystic fibrosis (CF). In this study, we evaluated inspiratory and peripheral muscle strength and their relationship with nutritional status and pulmonary function. We assessed forced expiratory volume in one second (FEV1), inspiratory muscle strength (Pimax), peripheral muscle strength of the knee extensors and elbow flexors, body mass index (BMI), and lean body mass (LBM) in 22 patients in a stable condition. Mean (SD) age was 19 (5) years; FEV1 was 62 (28) percent predicted; inspiratory muscle strength was 118 (23) percent predicted; knee extensor strength was 80 (23) percent predicted; and elbow flexor strength 76 (21) percent predicted. Mean (SD) BMI was 19.5 (2.8) kg/m2 and LBM was 46.4 (10) kg. FEV1 (percent predicted) was significantly correlated with percent predicted inspiratory muscle strength (r = 0.53; p = 0.011), percent predicted knee extensor strength (r = 0.70, p < 0.001 ), and percent predicted elbow flexor strength (r = 0.62, p = 0.002). These results show that, despite a moderate relationship with FEV1, inspiratory muscle strength was preserved in our CF patients. Peripheral muscle strength was reduced in those patients with airflow obstruction. Future intervention should focus on the influence of reduced peripheral muscle strength on exercise performance in CF patients.
Falls in Acute Care: An Academic Medical Center Six-Year Review

Objective: To describe the overall rate of falls during a six-year period in an academic acute care hospital, explore differences in fall rates and characteristics by type of patient population, and explore changes in rate of falls over time in relation to implementation of a hospital fall prevention program. Methods: The incidence of falls in hospitalized patients from 1997 to 2002 was examined retrospectively in a 471 bed academic medical center using occurrence screen data. Fall rates were examined overall and by time, type of population (medical, surgical, neuroscience, rehabilitation and psychiatry) and age groups. Results: In this six-year period, there were 1,932 falls in 1,562 patients for a fall rate (number of falls per 1,000 inpatient days) of 2.63. Rates varied by patient population with rehabilitation patients having the highest fall rate and pediatric patients having the lowest rate. Overall there was a significant reduction in fall rates of −3.69% average change per year (P = 0.006), however the rate of change varied significantly by population (−0.05 to -12.2%). Conclusions: Caution must be used when comparing overall hospital fall rates. Fall rates vary significantly by patient population, therefore an overall hospital fall rate is dependent on the patient mix of the hospital. Hospitals with higher percentages of patients with medical, neuroscience, psychiatric or rehabilitation disorders are likely to have higher fall rates compared with hospitals with large surgical, critical care, pediatric and obstetric populations. In this study, medical, neuroscience, psychiatric and rehabilitation account for 40.9% of the patient days. The value of looking at falls by patient population and age groups over time is useful in targeting programmatic changes to specific patient populations.
A multi-site randomised controlled trial of evidence-based supported employment for adults with severe and persistent mental illness.

BACKGROUND/AIM The Individual Placement and Support (IPS) approach is an evidence-based form of supported employment for people with severe and persistent mental illness. This approach is not yet widely available in Australia even though there is mounting evidence of its generalisability outside the USA. One previous Australian randomised controlled trial found that IPS is effective for young people with first episode psychosis. The aim of the current trial was to assess the effectiveness of evidence-based supported employment when implemented for Australian adult consumers of public mental health services by utilising existing service systems. METHODS A four-site randomised control trial design (n = 208) was conducted in Brisbane (two sites), Townsville and Cairns. The intervention consisted of an IPS supported employment service hosted by a community mental health team. The control condition was delivered at each site by mental health teams referring consumers to other disability employment services in the local area. RESULTS At 12 months, those in the IPS condition had 2.4 times greater odds of commencing employment than those in the control condition (42.5% vs. 23.5%). The conditions did not differ on secondary employment outcomes including job duration, hours worked, or job diversity. Attrition was higher than expected in both conditions with 28.4% completing the baseline interview but taking no further part in the study. CONCLUSION The results support previous international findings that IPS-supported employment is more effective than non-integrated supported employment. IPS can be successfully implemented this way in Australia, but with a loss of effect strength compared to previous USA trials.
Levantamento da fauna de Triatominae (Hemiptera: Reduviidae) em ambiente domiciliar e infecção natural por Trypanosomatidae no Estado de Mato Grosso do Sul

Between 2000 and 2004, a survey of Triatominae fauna (Hemiptera: Reduviidae) and examination of natural infection caused by Trypanosomatidae in the State of Mato Grosso do Sul, Brazil, was conducted. A total of 13,671 specimens were collected. Through fauna analysis on the insects that were caught, Triatoma sordida was characterized as very abundant, very frequent, constant and dominant. The rates of natural infection with Trypanosoma cruzi were 3.2% for Panstrongylus geniculatus, 0.6% for Rhodnius neglectus and 0.1% for Triatoma sordida. Nevertheless, the State of Mato Grosso do Sul is free from endemic vector transmission.
Genetic Predisposition, Fruit Intake and Incident Stroke: A Prospective Chinese Cohort Study

The aim of this study was to evaluate the association between fruit intake and stroke risk considering the genetic predisposition. We used data from 34,871 participants from the project of Prediction for Atherosclerotic Cardiovascular Disease Risk in China (China-PAR project) from 2007 to 2020. A polygenic risk score comprising 534 genetic variants associated with stroke and its related factors was constructed to categorize individuals into low, intermediate, and high genetic risk groups. The associations of genetic and fruit intake with incident stroke were assessed by the Cox proportional hazard regression. We documented 2586 incident strokes during a median follow-up of 11.2 years. Compared with fruit intake < 200 g/week, similar relative risk reductions in stroke with adherence to fruit intake > 100 g/day across the genetic risk categories were observed (28–32%), but the absolute risk reductions were relatively larger in the highest genetic risk group (p for trend = 0.03). In comparison to those with a fruit intake < 200 g/week, those with a fruit intake >100 g/day in the low, intermediate, and high genetic risk groups had an average of 1.45 (95% CI, 0.61–2.31), 2.12 (1.63–2.59), and 2.19 (1.13–3.22) additional stroke-free years at aged 35, respectively. Our findings suggest that individuals with a high genetic risk could gain more absolute risk reductions and stroke-free years than those with a low genetic risk from increasing fruit intake for the stroke primary prevention.
Traumatic Brain Injury during the SARS-CoV-2 Pandemics in Slovenia: A Single Center Study

(1) Background: The SARS-CoV-2 pandemic had a significant impact on the management of traumatic brain injury (TBI). We aimed to compare the clinical characteristics and outcomes of TBI patients before and during the SARS-CoV-2 pandemic. ; (2) Methods: We analyzed depicted data from existing medical records on sex, age, mechanism of injury, clinical performance at admission and discharge, neuroimaging, laboratory values at admission, mortality, duration of hospitalization, and referrals after discharge from the traumatology department for all adult patients during the SARS-CoV-2 pandemic and a year before. Variables were compared using the Chi-square or t-test between both groups. ; (3) Results: Most patients had mild (n = 477), followed by moderate (11) and severe (11) TBI. Mild TBI was less frequent during the SARS-CoV-2 period (n = 174 vs. n = 303). The incidence of high falls increased during the SARS-CoV-2 period (14.5% vs. 24.7%; p < 0.05) in the group with mild TBI. Patients had similar mean Glasgow Coma Scales (GCS), Glasgow Outcome Scales-Extended (GOSE), and glucose levels at admission before and during the pandemic. Serum ethanol levels were significantly lower during the SARS-CoV-2 period (1.3 ± 0.7 mmol/L vs. 0.7 ± 1.2 mmol/L; p < 0.001). At discharge, the mean GCS was significantly lower (14.7 ± 1.8 vs. 14.1 ± 0.5; p < 0.05) for patients treated during the SARS-CoV-2 period than before the SARS-CoV-2 period. There were no differences in GOSE; (4) Conclusions: our results demonstrated a significant impact of SARS-CoV-2 pandemic on the frequency, mechanism, and consequences of TBI, and may help improve care for our patients.
Bone marrow transplantation attenuates murine IgA nephropathy: Role of a stem cell disorder1

sion in B6! HIGA mice were decreased compared with those in HIGA! HIGA mice. These B6! HIGA mice also excreted deposits disappeared [11]. These examples indicate that less urinary albumin than HIGA! HIGA mice. Furthermore, an intrinsic circulating factor(s), rather than an intrinsic serum levels of IgA in B6! HIGA mice were markedly lower defect(s) of the kidney, caused the IgA deposition in the than those in HIGA! HIGA mice. Size analysis of serum IgA mesangial area. revealed that macromolecular IgA were notably lower in Recently, we encountered a patient with IgA nephrop