Miracle-dz/UniFAR-FTUs huggingface dataset:
FunFOLDQA: A Quality Assessment Tool for Protein-Ligand Binding Site Residue Predictions

The estimation of prediction quality is important because without quality measures, it is difficult to determine the usefulness of a prediction. Currently, methods for ligand binding site residue predictions are assessed in the function prediction category of the biennial Critical Assessment of Techniques for Protein Structure Prediction (CASP) experiment, utilizing the Matthews Correlation Coefficient (MCC) and Binding-site Distance Test (BDT) metrics. However, the assessment of ligand binding site predictions using such metrics requires the availability of solved structures with bound ligands. Thus, we have developed a ligand binding site quality assessment tool, FunFOLDQA, which utilizes protein feature analysis to predict ligand binding site quality prior to the experimental solution of the protein structures and their ligand interactions. The FunFOLDQA feature scores were combined using: simple linear combinations, multiple linear regression and a neural network. The neural network produced significantly better results for correlations to both the MCC and BDT scores, according to Kendall’s τ, Spearman’s ρ and Pearson’s r correlation coefficients, when tested on both the CASP8 and CASP9 datasets. The neural network also produced the largest Area Under the Curve score (AUC) when Receiver Operator Characteristic (ROC) analysis was undertaken for the CASP8 dataset. Furthermore, the FunFOLDQA algorithm incorporating the neural network, is shown to add value to FunFOLD, when both methods are employed in combination. This results in a statistically significant improvement over all of the best server methods, the FunFOLD method (6.43%), and one of the top manual groups (FN293) tested on the CASP8 dataset. The FunFOLDQA method was also found to be competitive with the top server methods when tested on the CASP9 dataset. To the best of our knowledge, FunFOLDQA is the first attempt to develop a method that can be used to assess ligand binding site prediction quality, in the absence of experimental data.
Ambipolar Diffusion in Molecular Cloud Cores and the Gravomagneto Catastrophe

This paper reexamines the problem of ambipolar diffusion as a mechanism for the production and runaway evolution of centrally condensed molecular cloud cores, a process that has been termed the gravomagneto catastrophe. Our calculation applies in the geometric limit of a highly flattened core and allows for a semianalytic treatment of the full problem, although physical fixes are required to resolve a poor representation of the central region. A noteworthy feature of the overall formulation is that the solutions for the ambipolar diffusion portion of the evolution for negative times (t < 0) match smoothly onto the collapse solutions for positive times (t > 0). The treatment shows that the resulting cores display nonzero, but submagnetosonic, inward velocities at the end of the diffusion epoch, in agreement with current observations. Another important result is the derivation of an analytic relationship between the dimensionless mass-to-flux ratio λ0 ≡ f of the central regions produced by runaway core condensation and the dimensionless measure of the rate of ambipolar diffusion ϵ. In conjunction with previous work showing that ambipolar diffusion takes place more quickly in the presence of turbulent fluctuations, i.e., that the effective value of ϵ can be enhanced by turbulence, the resultant theory provides a viable working hypothesis for the formation of isolated molecular cloud cores and their subsequent collapse to form stars and planetary systems.
Factors Involved in Iranian Women Heads of Household’s Health Promotion Activities: A Grounded Theory Study

We aimed to explore and describe the factors involved in Iranian women heads of household’s health promotion activities. Grounded theory was used as the method. Sixteen women heads of household were recruited. Data were generated by semi structured interviews. Our findings indicated that remainder of resources (money, time and energy) alongside perceived severity of health risk were two main factors whereas women’s personal and socio-economic characteristics were two contextual factors involved in these women's health promotion activities. To help these women improve their health status, we recommended that the government, non-governmental organizations and health care professionals provide them with required resources and increase their knowledge by holding training sessions.
Generation of ontology based user profiles for personalized Web search

As the number of Internet users and accessible Web pages grows; it is becoming increasingly difficult for users to find documents that are relevant to their particular needs. Users must either browse through a large hierarchy of concepts to find the information for which they are looking or submit a query to a publicly available search engine and wade through hundreds of results, most of them irrelevant. The core problem is that whether the user is browsing or searching, whether they are novice web users or experts, the identical information result is retrieved and presented commonly without any difference. The goal of Web search personalization is to tailor search results to a particular user based on that user's interests and preferences, thus allowing for more efficient and relevant information access. Personalization of information retrieval involves two major challenges: identifying the user context and organizing them in such a way that improves the search precision. This leads to the development of user profiles in a hierarchical structure namely ontology for user profiles. The main goal of this paper is to propose a technique that implicitly builds ontology-based user profiles. We build and update profiles dynamically by monitoring and storing the user's browsing habits.
Shocking Aspects of European Enlargement

The objective of this article is to assess whether the recent economic evolution of EU accession countries and their expected developments for the coming years put them in a better or a worse position to join the euro. Using structural vector autoregression models, the results show that shocks are more asymmetric in candidate countries than in current euro-zone members and that the situation has worsened in the most recent years. However, it seems that monetary policies in accession countries are closely influenced by monetary conditions in the euro zone. If this is the case, then the costs of losing monetary independence when joining the euro would be reduced. In any case, and considering that, on average, correlations are still far from the values of the euro-zone countries, the flexibility of real sector and labor markets will be essential for the sustainability of joining the euro.
The Hamburg/ESO R-process enhanced star survey (HERES). II. Spectroscopic analysis of the survey sample

We present the results of analysis of "snapshot" spectra of 253 metal-poor halo stars −3.8 ≤ (Fe/H) ≤− 1.5 obtained in the HERES survey. The snapshot spectra have been obtained with VLT/UVES and have typically S /N ∼ 54 per pixel (ranging from 17 to 308), R ∼ 20 000, λ = 3760-4980 A. This sample represents the major part of the complete HERES sample of 373 stars; however, the CH strong content of the sample is not dealt with here. The spectra are analysed using an automated line profile analysis method based on the Spectroscopy Made Easy (SME) codes of Valenti & Piskunov. Elemental abundances of moderate precision (absolute rms errors of order 0.25 dex, relative rms errors of order 0.15 dex) have been obtained for 22 elements, C, Mg, Al, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Zn, Sr, Y, Zr, Ba, La, Ce, Nd, Sm, and Eu, where detectable. Of these elements, 14 are usually detectable at the 3σ confidence level for our typical spectra. The remainder can be detected in the least metal-poor stars of the sample, spectra with higher than average S /N ,o r when the abundance is enhanced. Among the sample of 253 stars, disregarding four previously known comparison stars, we find 8 r-II stars and 35 r-I stars. The r-II stars, including the two previously known examples CS 22892-052 and CS 31082-001, are centred on a metallicity of (Fe/H) = −2.81, with a very small scatter, on the order of 0.16 dex. The r-I stars are found across practically the entire metallicity range of our sample. We also find three stars with strong enhancements of Eu which are s-process rich. A significant number of new very metal-poor stars are confirmed: 49 stars with (Fe/H) < −3 and 181 stars with −3 < (Fe/H) < −2. We find one star with (Fe/H) < −3.5. We find the scatter in the abundance ratios of Mg, Ca, Sc, Ti, Cr, Fe, Co, and Ni, with respect to Fe and Mg, to be similar to the estimated relative errors and thus the cosmic scatter to be small, perhaps even non-existent. The elements C, Sr, Y, Ba and Eu, and perhaps Zr, show scatter at (Fe/H) < −2.5 significantly larger than can be explained from the errors in the analysis, implying scatter which is cosmic in origin. Significant scatter is observed in abundance ratios between light and heavy neutron-capture elements at low metallicity and low levels of r-process enrichment.
On the use of backpropagation in associative reinforcement learning

A description is given of several ways that backpropagation can be useful in training networks to perform associative reinforcement learning tasks. One way is to train a second network to model the environmental reinforcement signal and to backpropagate through this network into the first network. This technique has been proposed and explored previously in various forms. Another way is based on the use of the reinforce algorithm and amounts to backpropagating through deterministic parts of the network while performing a correlation-style computation where the behavior is stochastic. A third way, which is an extension of the second, allows backpropagation through the stochastic parts of the network as well. The mathematical validity of this third technique rests on the use of continuous-valued stochastic units. Some implications of this result for using supervised learning to train networks of stochastic units are noted, and it is also observed that such an approach even permits a seamless blend of associative reinforcement learning and supervised learning within the same network. <<ETX>>
Modeling the stylized facts of wholesale system marginal price (SMP) and the impacts of regulatory reforms on the Greek Electricity Market

This work presents the results of an empirical research with the target of modeling the stylized facts of the daily expost System Marginal Price (SMP) of the Greek wholesale electricity market, using data from January 2004 to December of 2011. SMP is considered here as the footprint of an underline stochastic and nonlinear process that bears all the information reflecting not only the effects of changes in endogenous or fundamental factors of the market but also the impacts of a series of regulatory reforms that have continuously changed the market's microstructure. To capture the dynamics of the conditional mean and volatility of SMP that generate the stylized facts(mean reversion, price spikes, fat tails price distribution etc), a number of ARMAX GARCH models have been estimated using as regressors an extensive set of fundamental factors in the Greek electricity market as well as dummy variables that mimic the history of Regulator's interventions. The findings show that changes in the microstructure of the market caused by the reforms have strongly affected the dynamic evolution of SMP and that the best found model captures adequately the stylized facts of the series that other electricity and financial markets share. The dynamics of the conditional volatility generated by the model can be extremely useful in the efforts that are under way towards market restructuring so the Greek market to be more compatible with the requirements of the European Target Model.
When leadership goes wrong : destructive leadership, mistakes, and ethical failures

The leadership landscape has begun to shift. Researchers have started to realize that previous conceptualizations of leadership that focus only on the positive aspects of leadership are too narrow and may represent a romantic notion of leadership. A growing body of inquiry has emerged with a focus on the darker side of leadership. Allowing for the possibility that leaders can also do harm, either intentionally or unintentionally, broadens the scope of leadership studies and serves to increase the practical implications of leadership research. This book brings together contributions by scholars from several different countries addressing topics such as narcissistic and destructive leadership, ethical leadership and leader errors. Endorsement: "Most leadership research has been dominated by a positive, constructive perspective: namely, that leaders are a source of good, and that their efforts, when effective, produce positive outcomes. This book is perhaps the most comprehensive effort to date that challenges this perspective. I cannot think of a topic more deserving of a book, nor of a book better suited to address this vital topic. I recommend it not only to every researcher interested in leadership, but to all those interested "dark side" processes that operate in all organizations. " --Timothy A. Judge, University of Florida, USA
Risk Perception of Investors in Initial Public Offer of Shares: A Psychometric Study

Initial Public Offer is a mechanism to raise capital from the public. In the recent years there are number of Initial Public Offers [IPO] in India. The present study tries to find out the risk perception of the investors in respect of IPO investment and the degree of influence of the elements of marketing mix on the overall level of risk perception. The study is carried out on the registered investors of the leading share broking firms of Silchar town of Assam, India. It is found that the equity investors perceive equity investment through IPO as moderately risky. The degree of influence of promotion feature driven measure of risk perception is highest. Second, third and forth factors affecting the risk perception in respect of equity investment through IPO are price, product and place feature driven measure of risk perception.
Impression Formation in Computer-Mediated Communication Revisited An Analysis of the Breadth and Intensity of Impressions

Following either a text-based, synchronous computer-mediated conversation (CMC) or a face-to-face dyadic interaction, 80 participants rated their partners’ personality profile. Impressions were assessed in terms of both their breadth (the comprehensiveness of the impression) and intensity (the magnitude of the attributions). Results indicated that impressions formed in the CMC environment were less detailed but more intense than those formed face-to-face. These data provide support for theories that, in addition to acknowledging the unique constraints and characteristics of CMC, consider the cognitive strategies and heuristics involved in the impression formation process. The differential impact of a text-based medium on trait-specific impressions (e.g., extraversion, neuroticism) is also discussed in the context of a cross-modal approach to impression formation.
An Efficient Mechanism for Connecting MANET and Internet through Complete Adaptive Gateway Discovery

With the advent of future wireless networks consisting of an integration of different heterogeneous wireless technologies, the interconnection of MANETs to fixed IP networks is an area which is becoming of paramount importance. When a node in a mobile ad hoc network wants to communicate with a node on the Internet, it has to obtain information about the available gateways. For this purpose node either can send solicitation or may depend on periodic gateway advertisement. To make efficient use of this periodic advertisement it is necessary to limit advertisement-flooding area, and also interval of sending periodic advertisement must depend on mobility and topological changes. In this paper periodic advertisement and adaptive advertisement schemes are combined for AODV-the most researched MANET (mobile ad hoc network) routing protocol. The simulation results show that the proposed complete adaptive gateway discovery mechanism is able to offer packet delivery fraction as higher as an existing approach with reduced overhead messages
Continuous-Time User Modeling in Presence of Badges

User modeling plays an important role in delivering customized web services to the users and improving their engagement. However, most user models in the literature do not explicitly consider the temporal behavior of users. More recently, continuous-time user modeling has gained considerable attention and many user behavior models have been proposed based on temporal point processes. However, typical point process-based models often considered the impact of peer influence and content on the user participation and neglected other factors. Gamification elements are among those factors that are neglected, while they have a strong impact on user participation in online services. In this article, we propose interdependent multi-dimensional temporal point processes that capture the impact of badges on user participation besides the peer influence and content factors. We extend the proposed processes to model user actions over the community-based question and answering websites, and propose an inference algorithm based on Variational-Expectation Maximization that can efficiently learn the model parameters. Extensive experiments on both synthetic and real data gathered from Stack Overflow show that our inference algorithm learns the parameters efficiently and the proposed method can better predict the user behavior compared to the alternatives.
Effect of bio-organic fertilization and some weed control treatments on yield and yield components of wheat.

Two field experiments were carried out during winter seasons 2004/2005 and 2005/2006 in the Experimental Station of National Research Centre, Shalakan District, Kalubia Governorate, Egypt. The investigation aimed to study the response of wheat cultivar Sakha-93 to three weed control treatments 1-Unweeded (control),2-Hand weeding twice at 30 and 60 DAS 3-Chemical weed control by Panther 55% Sc at post emergence and five bio-organic fertilization treatments which were 1-Recommended dose of bio-organic fertilizer 10m /fed. chicken manure + cerealine (bio-fert.) commercial product contain Azospirillum sp. 2-75% 3 rec. organic fert. +cerealine +25% NPK 3-50% rec. organic fert. +cerealine+50% NPK 4-25% organic fert. +cerealine+75% NPK 5-100% recommended (NPK 75:31:48 kg/fed.). Results showed that chemical weeded had superiority in total, broad leaved,grassy weeds,also, in no. of wheat tillers/m , no. of spikes/m , spike 2 2 length, spike weight, grains weight/spike, 1000-grains weight, grain yield/fed. , harvest index %, protein,P,K yields (kg/fed.). Hand weeding produced tallest plants, highest protein,P,K % in grains. Treatment of 25% bioorganic+75% NPK gave the best reduce in fresh and dry broad leaved, grassy and total weeds at 75 and 105 DAS,also, the highest wheat yield and yield components, protein,P,K yields (kg/fed.) except for plant height and straw yield. On the other hand, 100% recommended NPK gave the best protein,P,K %. Due to interaction between weed control and bio-organic fertilization treatments the interaction between chemical weeded and 100% rec. NPK gave the best result for all studied characters except for no. of spikes/m and harvest index %. 2
CU interconnect immortality criterion based on electromigration void growth saturation

The ever increasing scaling down of IC leads to ever more current density in interconnects. As a consequence, electromigration (EM) becomes a concern in interconnect reliability. In order to face this problem and allow more current density in design, one can take advantage of the Blech effect [1]. Many investigations have proposed extraction methods, behaviors or values for the threshold jLc product but some controversies subsist in particular on failures under jLc [2]. We studied the resistance saturation with time to characterize Blech effect of Cu/low-k dual damascene interconnects from the 65 nm node. We propose an immortality criterion proportional to the jL2 product based on the limitation of EM induced void volume at steady state. In our case, this criterion leads to more relaxed current rules for short lines compared to jLc criterion.
Title of Document : CHEMICAL INDUCTION OF SETTLEMENT IN LARVAE OF THE EASTERN OYSTER CRASSOSTREA VIRGINICA ( GMELIN )

Title of Document: CHEMICAL INDUCTION OF SETTLEMENT IN LARVAE OF THE EASTERN OYSTER CRASSOSTREA VIRGINICA (GMELIN) Melissa North Grant, Master of Science, 2009 Directed By: Dr. Donald W. Meritt, Senior Agent University of Maryland Center for Environmental Science Although numerous studies have been conducted to examine the effects of neuroactive compounds on bivalve larvae, few have identified chemicals capable of inducing settlement behavior in the eastern oyster Crassostrea virginica. In this study, I treated competent C. virginica larvae with select chemicals to identify those which are capable of inducing settlement behavior at an average salinity of 9.6 (+0.1). The compounds γ-aminobutyric acid and acetylcholine chloride, both at 10M, did not significantly increase the percentage of larvae exhibiting settlement behavior. As compared with the control, a significant increase in settlement behavior was induced by treatment with 3-isobutyl-1-methylxanthine, 5-hydroxytryptamine, and L-3, 4dihydroxyphenylalanine all at 10M, as well as ammonia as a solution of 7.9mM NH4Cl (pH=8.0). These findings differ somewhat from the results of similar studies involving other species in the Crassostrea genus and may be of value to hatchery personnel or researchers interested in the chemical induction of settlement behavior in the eastern oyster. CHEMICAL INDUCTION OF SETTLEMENT IN LARVAE OF THE EASTERN OYSTER CRASSOSTREA VIRGINICA (GMELIN)
Labor Unemployment Risk and Corporate Financing Decisions

This paper presents evidence that firms choose conservative financial policies partly to mitigate workers' exposure to unemployment risk. We exploit changes in state unemployment insurance laws as a source of variation in the costs borne by workers during layoff spells. We find that higher unemployment benefits lead to increased corporate leverage, particularly for labor-intensive and financially constrained firms. We estimate the ex ante, indirect costs of financial distress due to unemployment risk to be about 60 basis points of firm value for a typical BBB-rated firm. The findings suggest that labor market frictions have a significant impact on corporate financing decisions.