Miracle-dz/UniFAR-FTUs huggingface dataset:
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

A new density functional (DF) of the generalized gradient approximation (GGA) type for general chemistry applications termed B97‐D is proposed. It is based on Becke's power‐series ansatz from 1997 and is explicitly parameterized by including damped atom‐pairwise dispersion corrections of the form C6 · R−6. A general computational scheme for the parameters used in this correction has been established and parameters for elements up to xenon and a scaling factor for the dispersion part for several common density functionals (BLYP, PBE, TPSS, B3LYP) are reported. The new functional is tested in comparison with other GGAs and the B3LYP hybrid functional on standard thermochemical benchmark sets, for 40 noncovalently bound complexes, including large stacked aromatic molecules and group II element clusters, and for the computation of molecular geometries. Further cross‐validation tests were performed for organometallic reactions and other difficult problems for standard functionals. In summary, it is found that B97‐D belongs to one of the most accurate general purpose GGAs, reaching, for example for the G97/2 set of heat of formations, a mean absolute deviation of only 3.8 kcal mol−1. The performance for noncovalently bound systems including many pure van der Waals complexes is exceptionally good, reaching on the average CCSD(T) accuracy. The basic strategy in the development to restrict the density functional description to shorter electron correlation lengths scales and to describe situations with medium to large interatomic distances by damped C6 · R−6 terms seems to be very successful, as demonstrated for some notoriously difficult reactions. As an example, for the isomerization of larger branched to linear alkanes, B97‐D is the only DF available that yields the right sign for the energy difference. From a practical point of view, the new functional seems to be quite robust and it is thus suggested as an efficient and accurate quantum chemical method for large systems where dispersion forces are of general importance. © 2006 Wiley Periodicals, Inc. J Comput Chem 2006
Jackknife empirical likelihood goodness-of-fit tests for U-statistics based general estimating equations

Motivated by applications to goodness of fit U-statistic testing, the jackknife empirical likelihood (JEL) for vector U-statistics is justified with two approaches and the Wilks theorems are proved. This generalizes empirical likelihood (EL) for general estimating equations (GEE’s) to U-statistics based GEE’s. The results are extended to allow for the use of estimated constraints and for the number of constraints to grow with the sample size. It is demonstrated that the JEL can be used to construct EL tests for moment based distribution characteristics (e.g., skewness, coefficient of variation) with less computational burden and more flexibility than the usual EL. This can be done in the U-statistic representation approach and the vector U-statistic approach which were illustrated with several examples including JEL tests for Pearson’s correlation, Goodman–Kruskal’s Gamma, overdisperson, U-quantiles, variance components, and the simplicial depth function. The JEL tests are asymptotically distribution free. Simulations were run to exhibit power improvement of the JEL tests with incorporation of side information.
Posttraumatic stress disorder after a first-ever intracerebral hemorrhage in the Chinese population: A pilot study

ABSTRACT The objective of this study was to reveal the prevalence, associated risk factors, and long-term outcomes of Posttraumatic stress disorder (PTSD) in patients after intracerebral hemorrhage (ICH). Consecutive patients admitted to our institute from January 2016 to September 2016 for a first-ever ICH were asked to participate in our study. PTSD was determined with Diagnostic and Statistical Manual of Mental Disorders (fifth edition; DSM-5), and questionnaires on mental and physical status were used. Patients were followed at 3 and 12 months after ICH. Sixty-four patients were eventually included for analysis. Compared with patients without PTSD, patients with PTSD were more likely to be female (67% vs. 29%, p = 0.01), and had higher rates of receiving minimally invasive surgery (MIS; 47% vs. 18%, p = 0.04). Patients with PTSD achieved higher IES-R scores, had more intense anxiety and depression, were more habitually use maladaptive coping strategies, and had poorer quality of life and worse stroke-related disability than those without PTSD. At 12-months follow-up, 6 of the 14 (43%) patients initially diagnosed with PTSD had self-recovered. ICH leads to increased PTSD risk in the Chinese population, especially those who are female, more severely disabled, or received MIS.
Combination of ranibizumab and indomethacin for neovascular age-related macular degeneration: randomized controlled trial

Purpose The aim of this study was to evaluate whether indomethacin eye drops and intravitreal ranibizumab (IVR) injections would provide additional benefit over ranibizumab alone in the treatment of choroidal neovascularization (CNV). Participants and methods This was a randomized, prospective pilot study of eyes with new-onset CNV. Fifty-eight patients were randomized 1:1 into a ranibizumab monotherapy (RM) group and a ranibizumab plus indomethacin (RI) group. All patients received monthly 0.5 mg IVR injections for 3 months, followed by monthly injections administered as needed. RI group patients also self-administered one drop of 0.5% indomethacin three times a day for 12 months. All patients were followed up for 12 months. Results At 12 months, both groups showed significant improvement in best-corrected visual acuity (BCVA) and central retinal thickness (CRT). The mean BCVA change from baseline to 12 months was −0.12±0.04 LogMAR and −0.20±0.04 LogMAR in the RM and RI groups, respectively, with the degree of change being significantly different between the two groups (P=0.04). At 12 months, the mean CRT in the RM group (316±41.2 µm) was significantly higher than that in the RI group (287±31.5 µm; P=0.004). The mean required number of IVR injections was 7.38±0.78 and 6.34±0.67 in the RM and RI groups, respectively (P<0.001). Conclusion Compared to IVR monotherapy, combination therapy with indomethacin eye drops and IVR provides superior anatomical and visual outcomes in patients with naive CNV lesions. Moreover, topical indomethacin might reduce the frequency of IVR injections, which is very beneficial considering the chronic and expensive nature of IVR therapy.
What’s in a Note? Unpacking Predictive Value in Clinical Note Representations

Electronic Health Records (EHRs) have seen a rapid increase in adoption during the last decade. The narrative prose contained in clinical notes is unstructured and unlocking its full potential has proved challenging. Many studies incorporating clinical notes have applied simple information extraction models to build representations that enhance a downstream clinical prediction task, such as mortality or readmission. Improved predictive performance suggests a “good” representation. However, these extrinsic evaluations are blind to most of the insight contained in the notes. In order to better understand the power of expressive clinical prose, we investigate both intrinsic and extrinsic methods for understanding several common note representations. To ensure replicability and to support the clinical modeling community, we run all experiments on publicly-available data and provide our code.
A Detailed Review on Nociceptive Models for the Screening of Analgesic Activity in Experimental Animals

Pain is an unpleasant sensation, which informs about any abnormality in either body or part of it. Pain may be either physical or mental depending on its source of origin. Generally, mental or psychic pain is treated with antipsychotic agents, which include, antidepressant, anti-anxiety and anti manic drugs. However, the pain generated by physical stimuli may be treated with analgesic and anti-inflammatory medicine. Analgesic is those drugs or agent, which reduce or block the sensation of pain temporarily. Several synthetic and plant origin analgesic are being tested for their efficacy and potency on different animal model including hot plate, tail flick, tail clip, cold pain, filament pain, tail immersion technique, acetic acid induced writhing test, formalin induced writhing test. Many plant extract have been proved to be analgesic just by evaluating through any one of these model stated, but the present review is based on the detail working principle and constructional detail of all the possible models generally available in pharmacology laboratory. This review also provides the principles of several new models like, tooth pulp, formalin induced writhing, monkey shock test so that they should be used in future.
A N A TTRACTION –S ELECTION –A TTRITION T HEORY OF O NLINE C OMMUNITY S IZE AND R ESILIENCE 1

Online discussion communities play an important role in the development of relationships and the transfer of knowledge within and across organizations. Their underlying technologies enhance these processes by providing infrastructures through which group-based communication can occur. Community administrators often make decisions about technologies with the goal of enhancing the user experience, but the impact of such decisions on how a community develops must also be considered. To shed light on this complex and under-researched phenomenon, we offer a model of key latent constructs influenced by technology choices and possible causal paths by which they have dynamic effects on communities. Two important community characteristics that can be impacted are community size (number of members) and community resilience (membership that is willing to remain involved with the community in spite of variability and change in the topics discussed). To model community development, we build on attraction–selection–attrition (ASA) theory, introducing two new concepts: participation costs (how much time and effort are required to engage with content provided in a community) and topic consistency cues (how strongly a community signals that topics that may appear in the future will be consistent with what it has hosted in the past). We use the proposed ASA theory of online communities (OCASA) to develop a simulation model of community size and resilience that affirms some conventional wisdom and also has novel and counterintuitive implications. Analysis of the model leads to testable new propositions about the causal paths by which technology choices affect the emergence of community size and community resilience, and associated implications for community sustainability.
Basking behavior predicts the evolution of heat tolerance in Australian rainforest lizards

There is pressing urgency to understand how tropical ectotherms can behaviorally and physiologically respond to climate warming. We examine how basking behavior and thermal environment interact to influence evolutionary variation in thermal physiology of multiple species of lygosomine rainforest skinks from the Wet Tropics of northeastern Queensland, Australia (AWT). These tropical lizards are behaviorally specialized to exploit canopy or sun, and are distributed across marked thermal clines in the AWT. Using phylogenetic analyses, we demonstrate that physiological parameters are either associated with changes in local thermal habitat or to basking behavior, but not both. Cold tolerance, the optimal sprint speed, and performance breadth are primarily influenced by local thermal environment. Specifically, montane lizards are more cool tolerant, have broader performance breadths, and higher optimum sprinting temperatures than their lowland counterparts. Heat tolerance, in contrast, is strongly affected by basking behavior: there are two evolutionary optima, with basking species having considerably higher heat tolerance than shade skinks, with no effect of elevation. These distinct responses among traits indicate the multiple selective pressures and constraints that shape the evolution of thermal performance. We discuss how behavior and physiology interact to shape organisms’ vulnerability and potential resilience to climate change.
Gremlin-ATL: A scalable model transformation framework

Industrial use of Model Driven Engineering techniques has emphasized the need for efficiently store, access, and transform very large models. While scalable persistence frameworks, typically based on some kind of NoSQL database, have been proposed to solve the model storage issue, the same level of performance improvement has not been achieved for the model transformation problem. Existing model transformation tools (such as the well-known ATL) often require the input models to be loaded in memory prior to the start of the transformation and are not optimized to benefit from lazy-loading mechanisms, mainly due to their dependency on current low-level APIs offered by the most popular modeling frameworks nowadays. In this paper we present Gremlin-ATL, a scalable and efficient model-to-model transformation framework that translates ATL transformations into Gremlin, a query language supported by several NoSQL databases. With Gremlin-ATL, the transformation is computed within the database itself, bypassing the modeling framework limitations and improving its performance both in terms of execution time and memory consumption. Tool support is available online.
Processing speed in children treated for brain tumors: effects of radiation therapy and age

ABSTRACT The current study examined processing speed in children two years post-treatment for brain tumors (BT) with radiation therapy (RT) compared to those treated with without RT. Participants included 59 children (4–17 years) with BT assessed as part of the Brain Radiation Investigative Study Consortium (BRISC). Processing speed was assessed at two time points: Time1 (3–9 months post-surgery) for 26 children who received whole brain or focal RT (RT group) and 33 treated without RT (no-RT group), and again two years later (Time2) for 42 participants (17 RT, 25 no-RT). Linear mixed effects (LME) regression analyses examined differences in cognitive and motor speed between groups and across visits, with age at Time1 (age1) treated as a moderating variable, and sex and primary tumor size as covariates. No effects for treatment group or visit were found for motor speed (Pegboard) or mean reaction time (Attention Network Task). On the Wechsler Processing Speed Index (PSI), the no-RT group performed better than the RT group, with a group-by-age interaction such that across visits, the difference between the no-RT and RT groups was larger among children who were older at initial treatment (≥10 years) than among those who were younger (<10 years). Cumulative brain injury earlier in life (tumor, surgery, plus RT) may result in greater impact on more complex tasks of cognitive efficiency. Children receiving RT showed reduced processing speed over time, with a larger group difference among those who were over 10 years at treatment.
Screening of Indian medicinal plants for acetylcholinesterase inhibitory activity

The cholinergic hypothesis of Alzheimer's disease (AD) has provided the rationale for the current pharmaco‐therapy of this disease, in an attempt to reduce the cognitive decline caused by cholinergic deficits. Nevertheless, the search for potent and long‐acting acetylcholinesterase (AChE) inhibitors that exert minimal side effects in AD patients is still ongoing. AChE inhibitors are currently the only approved therapy for the treatment of Alzheimer's disease; only a limited number of drugs are commercially available. Hydroalcohol extracts of six herbs, Andrographis paniculata, Centella asiatica, Evalvulus alsinoides, Nardostachys jatamansi, Nelumbo nucifera, Myristica fragrans used in Indian systems of medicine, were tested for in vitro acetylcholinesterase inhibitory activity based on Ellman's method in 96‐well microplates using AChE obtained from bovine erythrocytes. The results showed that the hydroalcohol extract from Centella asiatica, Nardostachys jatamansi, Myristica fragrans, Evalvulus alsinoides inhibited 50% of AChE activity at concentrations of 100–150 µg/mL. Andrographis paniculata and Nelumbo nucifera extracts showed a weak inhibition of acetylcholinesterase with IC50 values of 222.41 ± 19.87 µg/mL and 185.55 ± 21.24 µg/mL, respectively. Physostigmine was used as a standard and showed inhibition of acetylcholinesterase with an IC50 value of 0.076 ± 0.0042 µg/mL. Copyright © 2007 John Wiley & Sons, Ltd.
Tissue Distribution and Visualization of Internalized Human Norovirus in Leafy Greens

ABSTRACT Lettuce has been implicated in human norovirus (HuNoV) outbreaks. The virus is stable on the leaf surface for at least 2 weeks; however, the dynamics of virus internalization have not been fully investigated. The purpose of this study was to assess the internalization and distribution of HuNoV and two surrogate viruses, porcine sapovirus (SaV) and Tulane virus (TV), in lettuce and spinach. Viral inoculations through the roots of seedlings and the petiole of leaves from mature plants were performed, and the viruses were tracked on days 1 and 6 post-root inoculation and at 16 h and 72 h post-petiole inoculation. Confocal microscopy was used to visualize root-internalized HuNoV. In both lettuce and spinach, (i) HuNoV was internalized into the roots and leaves at similar RNA titers, whereas surrogate viruses were more restricted to the roots, (ii) all three viruses were stable inside the roots and leaves for at least 6 days, and (iii) HuNoV disseminated similarly inside the central veins and leaf lamina, whereas surrogate viruses were more restricted to the central veins. Infectious TV, but not SaV, was detectable in all tissues, suggesting that TV has greater stability than SaV. HuNoV was visualized inside the roots' vascular bundle and the leaf mesophyll of both plants. In conclusion, using surrogate viruses may underestimate the level of HuNoV internalization into edible leaves. The internalization of HuNoV through roots and cut leaves and the dissemination into various spinach and lettuce tissues raise concerns of internal contamination through irrigation and/or wash water. IMPORTANCE Human noroviruses are the leading cause of foodborne outbreaks, with lettuce being implicated in the majority of outbreaks. The virus causes acute gastroenteritis in all age groups, with more severe symptoms in children, the elderly, and immunocompromised patients, contributing to over 200,000 deaths worldwide annually. The majority of deaths due to HuNoV occur in the developing world, where limited sanitation exists along with poor wastewater treatment facilities, resulting in the contamination of water resources that are often used for irrigation. Our study confirms the ability of lettuce and spinach to internalize HuNoV from contaminated water through the roots into the edible leaves. Since these leafy greens are consumed with minimal processing that targets only surface pathogens, the internalized HuNoV presents an added risk to consumers. Thus, preventive measures should be in place to limit the contamination of irrigation water. In addition, better processing technologies are needed to inactivate internalized viral pathogens.
Prevalence of Visceral Leishmaniasis in Hospitalized Patients as an increasing Public Health Problem

Introduction: Globally, Visceral Leishmaniasisan increasing public health problem, as evidenced by markedly increasing incidence rates and multiple outbreaks in all continents. Visceral Leishmaniasisis probably the most widespread and prevalent zoonotic disease in the world. World Health Organisation estimates the worldwide prevalence to be approximately 12 million cases, with annual mortality of about 60 000. The size of population at risk is about 350 million. Methods: Sera of 150 patients were analysed by indirect enzyme liked immunosorbent assay (ELISA). Serum was collected from patients with VL before the onset of treatment. Serum was separated from 1mL and stored at -20 °C. Results: For two years from January 2011 to December 2012 in our laboratory were examined 150 cases (hospitalized patients for IgG antibodies. The mean age was 15.44 with minimum 1 and maximum 69, standart deviation 16.577. The city of Durres represents 40.7 % of all cases. The prevalence for antibodies IgG was 17.3%. There was no significant relationship between antibodies IgG and sex, age and residence of patients. Conclusion: The prevalence of Leishmania in our patients is high but was not found an association regarding residence, age’s group and sex.
Characteristics of and Precipitating Circumstances Surrounding Suicide Among Persons Aged 10–17 Years — Utah, 2011–2015

In 2015, suicide was the third leading cause of death among persons aged 10-17 years (1), and in Utah, the age-adjusted suicide rate was consistently higher than the national rate during the past decade (2). In January 2017, the Utah Department of Health (UDOH) invited CDC to assist with an epidemiologic investigation of suicides among youths aged 10-17 years during 2011-2015 to identify precipitating factors. CDC analyzed data from the Utah Violent Death Reporting System (UTVDRS), National Vital Statistics System, and additional information collected in the field. During 2011-2015 in Utah, 150 youths died by suicide. Approximately three fourths of decedents were male (77.4%) and aged 15-17 years (75.4%). During this period, the unadjusted suicide rate per 100,000 youths in Utah increased 136.2%, from 4.7 per 100,000 population (2011) to 11.1 (2015), whereas among youths nationwide, the rate increased 23.5%, from 3.4 to 4.1. Among suicide decedents with circumstances data available, more than two thirds (68.3%) had multiple precipitating circumstances, including mental health diagnosis (35.2%), depressed mood (31.0%), recent crisis (55.3%), and history of suicidal ideation or attempt (29.6%). CDC's technical package of policies, programs, and practices to prevent suicide supported by the best available evidence can be used as a suicide prevention resource (3).
Dynamic mobile cloudlet clustering for fog computing

Although mobile devices have obtained more and more capabilities such as CPU power, memory, and battery, they still cannot satisfy the requirement of high resource consuming applications. Fog Computing is one of the solutions for offloading the task of a mobile. However the capability of fog server is still limited due to the high deployment cost. In this paper, we propose a dynamic mobile cloudlet cluster policy (DMCCP) to use cloudlets as a supplement for the fog server for offloading. The main idea is that by monitoring each mobile device resource amount, the DMCCP system clusters the optimal cloudlet to meet the requests of different tasks from the local mobile device. In simulation results, we demonstrated that our proposed policy can cluster the approximated optimal cloudlets for different resource demands of a task in a real-time processing time compared to the optimal method.