Miracle-dz/UniFAR-FTUs huggingface dataset:
A Proline-Based Neuraminidase Inhibitor: DFT Studies on the Zwitterion Conformation, Stability and Formation

The designs of potent neuraminidase (NA) inhibitors are an efficient way to deal with the recent “2009 H1N1” influenza epidemic. In this work, density functional calculations were employed to study the conformation, stability and formation of the zwitterions of 5-[(1R,2S)-1-(acetylamino)-2-methoxy-2-methylpentyl]-4-[(1Z)-1-propenyl]-(4S,5R)-d-proline (BL), a proline-based NA inhibitor. Compared to proline, the zwitterion stability of BL is enhanced by 1.76 kcal mol−1 due to the introduction of functional groups. However, the zwitterion of BL will not represent a local minimum on the potential energy surface until the number of water molecules increases up to two (n = 2). With the addition of two and three water molecules, the energy differences between the zwitterions and corresponding canonical isomers were calculated at 3.13 and −1.54 kcal mol−1, respectively. The zwitterions of BL are mainly stabilized by the H-bonds with the water molecules, especially in the case of three water molecules where the carboxyl-O atoms are largely coordination-saturated by three H-bonds of medium strengths, causing the zwitterion stability even superior to the canonical isomer. With the presence of two and three water molecules, the energy barriers for the conversion processes from the canonical isomers to the zwitterions are equal to 4.96 and 3.13 kcal mol−1, respectively. It indicated that the zwitterion formation is facile to take place with addition of two molecules and further facilitated by more water molecules. Besides, the zwitterion formation of BL is finished in a single step, different from other NA inhibitors. Owing to the above advantages, BL is a good NA inhibitor candidate and more attention should be paid to explorations of BL-based drugs.
Tracking oligodendrocytes during development and regeneration

Over the past decade, advances in strategies to tag cells have opened new avenues for examining the development of myelin‐forming glial cells and for monitoring transplanted cells in animal models of myelin insufficiency. The strategies for labelling glial cells have encompassed a range of genetic modifications as well as methods for directly attaching labels to cells. Genetically modified oligodendrocytes have been engineered to express enzymatic (e.g., β‐galactosidase, alkaline phosphatase), naturally fluorescent (e.g., green fluorescent protein), and antibiotic resistance (e.g., neomycin, zeomycin) reporters. Genes have been introduced in vivo and in vitro with viral or plasmid vectors to somatically label glial cells. To generate germ‐line transmission of tagged oligodendrocytes, transgenic mice have been created both by direct injection into mouse fertilized eggs and by “knock‐in” of reporters targetted to myelin gene loci in embryonic stem cells. Each experimental approach has advantages and limitations that need to be considered for individual applications. The availability of tagged glial cells has expanded our basic understanding of how oligodendrocytes are specified from stem cells and should continue to fill in the gaps in our understanding of how oligodendrocytes differentiate, myelinate, and maintain their myelin sheaths. Moreover, the ability to select oligodendrocytes by virtue of their acquired antibiotic resistance has provided an important new tool for isolating and purifying oligodendrocytes. Tagged glial cells have also been invaluable in evaluating cell transplant therapies in the nervous system. The tracking technologies that have driven these advances in glial cell biology are continuing to evolve and present new opportunities for examining oligodendrocytes in living systems. Microsc. Res. Tech. 52:766–777, 2001. Published 2001 Wiley‐Liss, Inc.
Development of the EURO–D scale – a European Union initiative to compare symptoms of depression in 14 European centres

Background In an 11-country European collaboration, 14 population-based surveys included 21 724 subjects aged ⩾65 years. Most participating centres used the Geriatric Mental State (GMS), but other measures were also used. Aims To derive from these instruments a common depression symptoms scale, the EURO–D, to allow comparison of risk factor profiles between centres. Method Common items were identified from the instruments. Algorithms for fitting items to GMS were derived by observation of item correspondence or expert opinion. The resulting 12-item scale was checked for internal consistency, criterion validity and uniformity of factor-analytic profile. Results The EURO–D is internally consistent, capturing the essence of its parent instrument. A two-factor solution seemed appropriate: depression, tearfulness and wishing to die loaded on the first factor (affective suffering), and loss of interest, poor concentration and lack of enjoyment on the second (motivation) Conclusions The EURO–D scale should permit valid comparison of risk-factor associations between centres, even if between-centre variation remains difficult to attribute.
Property Paths over Linked Data: Can It Be Done and How To Start?

One of the advantages that Linked Data offers over the classical database setting is the ability to connect and navigate through different datasets. At the moment the standard mechanism for exploring navigational properties of the Semantic Web data are SPARQL property paths. However, the semantics of property paths is only defined assuming one evaluates them over a single local database, and it is still not clear what is the correct way to implement them over the Web of Linked Data, nor if this is even feasible. In this paper we explore this topic in more depth and gauge the merits of different approaches of executing property paths over Linked Data. To this end we test how property paths perform if the Linked Data is assumed to be available locally, through endpoints, or if it is accessed directly through dereferencing IRIs.
Position paper Occupational rhinitis

• Occupational rhinitis (OR) is an inflammatorydisease of the nose, which is characterized by intermittent or persistent symptoms (i.e., nasal congestion, sneezing, rhinorrea, itching), and/or variable nasal airflow limitation and/or hypersecretion arising out of causes and conditions attributable to a particular work environment and not to stimuli encountered outside the workplace. • Work-related rhinitis may be distinguished into: (i) OR that arises out of causes and conditions attributable to a particular work environment and (ii) work-exacerbated rhinitis that is pre-existing or concurrent rhinitis exacerbated by workplace exposures.
End-to-End Network Slicing in Virtualized OFDMA-Based Cloud Radio Access Networks

We consider the resource allocation for the virtualized OFDMA uplink cloud radio access network (C-RAN), where multiple wireless operators (OPs) share the C-RAN infrastructure and resources owned by an infrastructure provider (InP). The resource allocation is designed through studying tightly coupled problems at two different levels. The upper-level problem aims at slicing the fronthaul capacity and cloud computing resources for all OPs to maximize the weighted profits of OPs and InP considering practical constraints on the fronthaul capacity and cloud computation resources. Moreover, the lower-level problems maximize individual OPs’ sum rates by optimizing users’ transmission rates and quantization bit allocation for the compressed I/Q baseband signals. We develop a two-stage algorithmic framework to address this two-level resource allocation design. In the first stage, we transform both upper-level and lower-level problems into corresponding problems by relaxing underlying discrete variables to the continuous ones. We show that these relaxed problems are convex and we develop fast algorithms to attain their optimal solutions. In the second stage, we propose two methods to round the optimal solution of the relaxed problems and achieve a final feasible solution for the original problem. Numerical studies confirm that the proposed algorithms outperform two greedy resource allocation algorithms and their achieved sum rates are very close to sum rate upper-bound obtained by solving relaxed problems. Moreover, we study the impacts of different parameters on the system sum rate, performance tradeoffs, and illustrate insights on a potential system operating point and resource provisioning issues.
Cigarette smoking habits among adolescents in northeast Nigeria

Tobacco smoking is a growing public health problem in the developing world. The health hazards of smoking are well documented, and prevention of smoking has been described as the single greatest opportunity for preventing noncommunicable disease in the world today. A cross-sectional survey was carried out to determine the cigarette smoking habits among adolescents in a rural setting in northeast Nigeria.Between June and August 2006, a cross-sectional study involving 125 adolescentsages 12 to 17 years randomly selected from four districts of Yola south Local Government Area of Adamawa State was carried out. They responded to a modified version of the standard World Health Organization questionnaire for surveying smoking habits. Of 89 males 32 (36%) and of 36 females nine (25%) were current light smokers; with over 85% of all smokers consumed less than 10 cigarettes a day. The prevalence of smoking in this study was 32.8%. Over half of current smokers and ex-smokers started smoking between the ages of 13 and 15 years. The largest group of male and female smokers were influenced to start smoking by relative influence of one or both parents, siblings or friends, and only 18.7% of males and 22.2% of females were influenced by advertisements. Most respondents continued to smoke even when they were aware of the health hazards of smoking.Anti tobacco education and awareness should be adopted in the curriculum of schools and colleges. All forms of tobacco advertising and promotional activities should be banned in Nigeria, and parents should be encouraged to adopt more responsible attitudes toward smoking in the home.
The effects of nicotine on locomotor activity in non‐tolerant and tolerant rats

1 Rats were tested for locomotor activity in photocell cages, for 80 min starting immediately after subcutaneous injection of (−)‐nicotine bitartrate or 0.9%w/v NaCl solution (saline). In non‐tolerant subjects, nicotine (0.1 to 0.4 mg/kg base) depressed activity and induced ataxia in the first 20 min, but increased activity later in the session; these actions were dose‐dependent. 2 Tolerance was studied by comparing rats given nicotine (0.4 mg/kg s.c.) every day with control rats given saline instead. Each week, every subject was tested once with nicotine (0.4 mg/kg) and once with saline. With daily or even weekly injections of nicotine, the initial depressant action of the drug was replaced by a dose‐dependent stimulant action which occurred throughout the session. In these tolerant animals, little ataxia was seen except when a larger dose of 0.8 mg/kg was given. Tolerance to the depressant action of nicotine persisted for at least 3 weeks. 3 In non‐tolerant subjects, mecamylamine (0.5, 1.0 mg/kg s.c.) prevented the initial depressant action of nicotine (0.4 mg/kg). In tolerant rats, the locomotor stimulant action of nicotine (0.4 mg/kg) was prevented by mecamylamine (0.1, 0.32, 1.0 mg/kg s.c.) in a dose‐related way; the quaternary ganglion blocker, hexamethonium (0.2, 1.0, 5.0 mg/kg s.c.) had little or no such effect. Neither mecamylamine nor hexamethonium altered activity when given alone. 4 It is suggested that a few treatments with nicotine can unmask a stimulant action of the drug, probably of central origin, which possibly reflects a stimulation of nicotine receptors.
Comparison of anesthetics in electroconvulsive therapy: an effective treatment with the use of propofol, etomidate, and thiopental

Objectives Electroconvulsive therapy (ECT) is considered to be one of the most effective treatments in psychiatry. Currently, three medications for anesthesia are used routinely during ECT: propofol, etomidate, and thiopental. The objective of this study was to evaluate the effects of the anesthetics used in ECT on seizure threshold and duration, hemodynamics, recovery from ECT, and immediate side effects. Methods Our study is a retrospective cohort study, in which a comparison was made between three groups of patients who underwent ECT and were anesthetized with propofol, etomidate, or thiopental. The main effect compared was treatment dose and seizure duration. All patients were chosen as responders to ECT. Results Data were gathered about 91 patients (39 were anesthetized with thiopental, 29 with etomidate, and 23 with propofol). Patients in the thiopental group received a lower electrical dose compared to the propofol and etomidate group (mean of 459 mC compared to 807 mC and 701 mC, respectively, P<0.001). Motor seizure duration was longer in the thiopental group compared to propofol and etomidate (mean of 40 seconds compared to 21 seconds and 23 seconds, respectively, P=0.018). Seizure duration recorded by electroencephalography was similar in the thiopental and etomidate groups and lower in the propofol group (mean of 57 seconds in both groups compared to 45 seconds, respectively, P=0.038). Conclusion Patients who were anesthetized with thiopental received a lower electrical treatment dose without an unwanted decrease in seizure duration. Thiopental might be the anesthetic of choice when it is congruent with other medical considerations.
Casq 2 deletion causes sarcoplasmic reticulum volume increase , premature Ca 2 + release , and catecholaminergic polymorphic ventricular tachycardia

1Oates Institute for Experimental Therapeutics and Division of Clinical Pharmacology, Departments of Medicine and Pharmacology, Vanderbilt University Medical Center, Nashville, Tennessee, USA. 2Cardiovascular Research Institute, Washington Hospital Center, Washington, DC, USA. 3Department of Medicine, Krannert Institute of Cardiology, Indianapolis, Indiana, USA. 4Laboratory of Mammalian Genes and Development, National Institute of Child Health and Human Development/NIH, Bethesda, Maryland, USA. 5Department of Pathology, Uniformed Services University of the Health Sciences, Bethesda, Maryland, USA. 6Department of Cell and Developmental Biology, University of Pennsylvania, Philadelphia, Pennsylvania, USA.
Preservation Bias in the Hominid Krapina Sample ?

The processes which led to the formation of the Krapina hominid sample have been extensively debated with important implications for the interpretation of Neandertal behavior. This paper enters the debate by examining the issue of preservation bias between different skeletal elements within the sample. A null hypothesis of equal preservation among the different elements with deviations from expectation the result of chance alone is tested using an integrated set of re-sampling methodologies. While initial observations suggest an excess of cranial and mandibular elements relative to expectations, additional examination of the quantitative parameters of the sample suggest these findings are consistent with a model based solely on randomness. The null hypothesis, consistent with expectations of intentional burial, can therefore not be rejected. The implications of these results are discussed as they relate to interpretations of the taphonomic processes responsible for the Krapina hominid sample.
The structure of Rpf2–Rrs1 explains its role in ribosome biogenesis

The assembly of eukaryotic ribosomes is a hierarchical process involving about 200 biogenesis factors and a series of remodeling steps. The 5S RNP consisting of the 5S rRNA, RpL5 and RpL11 is recruited at an early stage, but has to rearrange during maturation of the pre-60S ribosomal subunit. Rpf2 and Rrs1 have been implicated in 5S RNP biogenesis, but their precise role was unclear. Here, we present the crystal structure of the Rpf2–Rrs1 complex from Aspergillus nidulans at 1.5 Å resolution and describe it as Brix domain of Rpf2 completed by Rrs1 to form two anticodon-binding domains with functionally important tails. Fitting the X-ray structure into the cryo-EM density of a previously described pre-60S particle correlates with biochemical data. The heterodimer forms specific contacts with the 5S rRNA, RpL5 and the biogenesis factor Rsa4. The flexible protein tails of Rpf2–Rrs1 localize to the central protuberance. Two helices in the Rrs1 C-terminal tail occupy a strategic position to block the rotation of 25S rRNA and the 5S RNP. Our data provide a structural model for 5S RNP recruitment to the pre-60S particle and explain why removal of Rpf2–Rrs1 is necessary for rearrangements to drive 60S maturation.
Understanding Success and Failure Profiles of ERP Requirements Engineering: an Empirical Study

Organizations adopting Enterprise Resource Planning (ERP) are also adopting standard ERP- vendor-specific process models for engineering their requirements. Making successfully a live process out of such a model is hard. Maturity assessment frameworks can help ERP adopters identify and understand those practices which help their ERP processes succeed and those which do not. This paper deploys a Requirements Engineering maturity model to examine variations in instantiations of a standard ERP RE process. We draw on our previous results and our lessons learnt from eight years of experience in using ERP RE processes.
Liver transplantation for cholangiocarcinoma: current best practice

Purpose of reviewCholangiocarcinoma is a rare tumour with dismal prognosis. Only radical resection offers a chance for cure with reported survivals ranging from 25 to 45% at 5 years. Considering the low rate of resectability and lack of efficacy of other treatments, liver transplantation has emerged as a reasonable approach to cure selective patients with unresectable diseases. The use of liver transplantation, however, is associated with the inherent risk of early tumour recurrence due to the need for immunosuppression and the poor survival rate. This review will focus on the role of liver transplantation in treating patients with cholangiocellular cancer. Recent findingsThe indication of liver transplantation for cholangiocarcinoma has evolved over time moving from an absolute to a relative contraindication until eventually becoming the best indication for a small group of patients presenting with unresectable perihilar cholangiocarcinoma, when associated with a neoadjuvant chemoradiotherapy. In contrast, the indication of liver transplantation for intrahepatic cholangiocarcinoma is far from being established and should be offered only under protocol, mainly for small tumours in the setting of cirrhosis. SummaryThe poor outcome of cholangiocarcinoma, irrespective of the therapy, justifies the search for novel approaches. Only selective patients with perihilar cholangiocarcinoma subjected to a neoadjuvant protocol may qualify for liver transplantation.
Measure on small complexity classes, with applications for BPP

We present a notion of resource-bounded measure for P and other subexponential-time classes. This generalization is based on Lutz's notion of measure, but overcomes the limitations that cause Lutz's definitions to apply only to classes at least as large as E. We present many of the basic properties of this measure, and use it to explore the class of sets that are hard for BPP. Bennett and Gill showed that almost all sets are hard for BPP; Lutz improved this from Lebesgue measure to measure on ESPACE. We use our measure to improve this still further, showing that for all /spl epsiv/>0, almost every set in E/sub /spl epsiv// is hard for BPP, where E/sub /spl epsiv//=/spl cup//sub /spl delta/</spl epsiv//DTIME(2(n/sup /spl delta//)), which is the best that can be achieved without showing that BPP is properly contained in E. A number of related results are also obtained in this way. <<ETX>>
Impact of BMI on IVF outcome in females-A Prospective study

Background-Various prognostic factors in assisted reproduction procedures have been described and analysed, including woman’s age, the cause of infertility, the ovarian response and uterine receptivity, the semen quality, and the BMI. Optimal BMI is required for an optimal response.There is controversy among various reports, which is partly caused by the varying focus of investigators and differences in study designs, led us to examine the relationship between BMI and IVF/ICS1 outcome in our unit. OBJECTIVE: To study impact of BMI on IVF outcome prospectively. MATERIAL/METHODS: It Prospective study over a period of 1 year in the age group 25-35 years attending the IVF clinic was conducted at a tertiary infertility centre in Bangalore, India between November 2010-October 2011. RESULTS: There was close association of increased BMl in particular when BMl is > 30 kg/m2 and the reduced outcomes of IVF/ICSI treatment in the form of less clinical pregnancy and higher early pregnancy loss. Furthermore, increased BMl was related to an increased FSH requirement, longer days of stimulation, higher dosage of gonadotropins, increased risk of cancellation and fewer collected oocytes. CONCLUSIONS: Obesity is associated with an increased risk of early pregnancy loss. Also need of high dose of gonadotropin ,less number of collected oocytes is observed. Implantation rate ,pregnancy rate and miscarriage rate was comparable but live births are high in normal weight and overweight as compared to extremes of BMI due to high number of miscarriages in extremes of BMI though not statistically significant.So will be appropriate to recommend weight loss prior to IVF.
A SCALED STOCHASTIC NEWTON ALGORITHM FOR MARKOV CHAIN MONTE CARLO SIMULATIONS

We propose a scaled stochastic Newton algorithm (sSN) for local Metropolis-Hastings Markov chain Monte Carlo (MCMC) simulations. The method can be considered as an EulerMaruyama discretization of the Langevin diffusion on a Riemann manifold with piecewise constant Hessian of the negative logarithm of the target density as the metric tensor. The sSN proposal consists of deterministic and stochastic parts. The former corresponds to a Newton step that attempts to move the current state to a region of higher probability, hence potentially increasing the acceptance probability. The latter is distributed by a Gaussian tailored to the local Hessian as the inverse covariance matrix. The proposal step is then corrected by the standard Metropolization to guarantee that the target density is the stationary distribution. We study asymptotic convergence and geometric ergodicity of sSN chains. At the heart of the paper is the optimal scaling analysis, in which we show that, for inhomogeneous product target distribution at stationarity, the sSN proposal variance scales like O ( n−1/3 ) for the average acceptance rate to be bounded away from zero, as the dimension n approaches infinity. As a result, a sSN chain explores the stationary distribution in O ( n1/3 ) steps, regardless of the variance of the target density. The optimal scaling behavior of sSN chains in the transient phase is also discussed for Gaussian target densities, and an extension to inverse problems using the Bayesian formulation is presented. The theoretical optimal scaling result is verified for two i.i. d. targets in high dimensions. We also compare the sSN approach with other similar Hessianaware methods on i.i. d. targets, Bayesian logistic regression, and log-Gaussian Cox process examples. Numerical results show that sSN outperforms the others by providing Markov chains with small burnin and small correlation length. Finally, we apply the sSN method to a Bayesian inverse thermal fin problem to predict the posterior mean and its uncertainty.