Miracle-dz/UniFAR-FTUs huggingface dataset:
Fast and accurate determination of the relative binding affinities of small compounds to HIV‐1 protease using non‐equilibrium work

The fast pulling ligand (FPL) out of binding cavity using non‐equilibrium molecular dynamics (MD) simulations was demonstrated to be a rapid, accurate and low CPU demand method for the determination of the relative binding affinities of a large number of HIV‐1 protease (PR) inhibitors. In this approach, the ligand is pulled out of the binding cavity of the protein using external harmonic forces, and the work of pulling force corresponds to the relative binding affinity of HIV‐1 PR inhibitor. The correlation coefficient between the pulling work and the experimental binding free energy of R=−0.95 shows that FPL results are in good agreement with experiment. It is thus easier to rank the binding affinities of HIV‐1 PR inhibitors, that have similar binding affinities because the mean error bar of pulling work amounts to δW=7% . The nature of binding is discovered using the FPL approach. © 2016 Wiley Periodicals, Inc.
Functional Genomic Analysis of CAF-1 Mutants in Arabidopsis thaliana*

Duplication of chromatin following DNA replication requires spatial reorganization of chromatin domains assisted by chromatin assembly factor CAF-1. Here, we tested the genomic consequences of CAF-1 loss and the function of chromatin assembly factor CAF-1 in heterochromatin formation. Genes located in heterochromatic regions are usually silent, and we found that this transcriptional repression persists in the absence of CAF-1 in Arabidopsis. However, using microarrays we observed that genes that are active during late S-phase, when heterochromatin is duplicated, were up-regulated in CAF-1 mutants. Arabidopsis CAF-1 mutants also have reduced cytological heterochromatin content; however, DNA methylation of pericentromeric repeats was normal, demonstrating that CAF-1 is not required for maintenance of DNA methylation. Instead, hypomethylation of the genome, which has only mild effects on the development of wild-type plants, completely arrested development of CAF-1 mutants. These results suggest that CAF-1 functions in heterochromatin formation. CAF-1 and DNA methylation, which is also needed for heterochromatin formation, have partially redundant functions that are essential for cell proliferation. Interestingly, transcriptional repression and heterochromatin compaction can be genetically separated, and CAF-1 is required only for the complete compaction of heterochromatin but not to maintain transcriptional repression of heterochromatic genes.
Experiences of governance in the context of community-based research: Structures, problems and theory

A central component of governance is the ―formal arrangements (rules) that exist to structure decision-making‖ (Chhotray & Stoker, 2009). Community-based research is becoming an important means of conducting social and health-related research, and often governed collaboratively by community and university members. However, descriptions of arrangements for decision-making are scant. What arrangements are used for governing community-based research collaborations, and what are collaborators‘ experiences of them? To answer these questions, qualitative description was used to draw evidence from 54 interviews conducted with members of community-based research collaborations in Canada. Three forms of arrangements were determined. These were organizing structures such as committees and membership; documentation which included required documentation for research applications and documents that collaborations generated for their own use; and meetings which were locations and spaces for decision-making. Respondents' assessments of success and failures of collaborations pointed to important roles for governance. When arrangements of governance were clear, collaboration members had useful structures, tools and processes for decision-making, helping them to realize the value of collaboration. Where discussions and utilization of governance arrangements in community-based research collaborations were perfunctory or absent, collaborations were built on soft ground and experienced collaboration failure. Suggestions for future directions of inquiry and theoretical development of collaboration governance in community-based research on the basis of the findings are proposed. Attention to governance in the context of community-based research can help to turn the benefits of research into benefits for the community.
Graphie: Large-Scale Asynchronous Graph Traversals on Just a GPU

Most GPU-based graph systems cannot handle large-scale graphs that do not fit in the GPU memory. The ever-increasing graph size demands a scale-up graph system, which can run on a single GPU with optimized memory access efficiency and well-controlled data transfer overhead. However, existing systems either incur redundant data transfers or fail to use shared memory. In this paper we present Graphie, a systemto efficiently traverse large-scale graphs on a single GPU. Graphie stores the vertex attribute data in the GPU memory and streams edge data asynchronously to the GPU for processing. Graphie's high performance relies on two renaming algorithms. The first algorithm renames the vertices so that the source vertices can be easily loaded to the shared memory to reduce global memory accesses. The second algorithm inserts virtual vertices into the vertex set to rename real vertices, which enables the use of a small boolean array to track active partitions. The boolean array also resides in shared memory and can be updated in constant time. The renaming algorithms do not introduce any extra overhead in the GPU memory or graph storage on disk. Graphie's runtime overlaps data transfer with kernel execution and reuses transferred data in the GPU memory. The evaluation of Graphie on 7 real-world graphs with up to 1.8 billion edgesdemonstrates substantial speedups over X-Stream, a state-of-theart edge-centric graph processing framework on the CPU, and GraphReduce, an out-of-memory graph processing systems on GPUs.
Value of service reliability

The authors present the value of service (VOS) reliability evaluation approach, which explicitly incorporates into the planning process customer choices regarding reliability 'worth' and service costs. Using the least-cost planning framework and taking advantage of the recent advances in the quantification of outage costs, this approach determines the optimal level of reliability for the utility and its customers. The approach considers system operational measures-the so-called emergency actions-that the operators invoke in times of dwindling reserves. Information on customer outage costs associated with such actions is incorporated using a probabilistic framework. This approach permits utilities to plan for levels of reliability commensurate with the customers' willingness to pay. The application of this methodology to planning problems is discussed. Numerical results for a large utility are presented. >
Commitment to Company and Union: Evidence from Hong Kong

This article examines the pattern and antecedents of employee commitment to company and union in the Hong Kong context. Findings are consistent with those from the United States. In general, company and union commitment have different antecedents, although the perceived industrial relations climate is a common predictor. Dual commitment is in evidence. Union membership is a function of union commitment. The findings caution against attempts to explain the pattern of Hong Kong industrial relations purely in terms of culture.
Nonsystemic vasculitic neuropathy: a clinicopathological study of 22 cases.

OBJECTIVE The involvement of the peripheral nervous system in patients with systemic vasculitis has been reported, but nonsystemic peripheral nervous system vasculitis is not so well known. We investigated the clinical, electrophysiological, and pathological features of nonsystemic vasculitic neuropathy (NSVN) in order to establish the clinical and histological manifestations and to promote the earlier diagnosis of the syndrome. METHODS Biopsies were selected from over 700 sural nerve biopsies performed at the Section of Neuropathology, Neurological Clinic of Athens University Hospital. The diagnosis of vasculitis was based on established clinicopathological criteria. Other causes of peripheral neuropathy were excluded. Complete laboratory, clinical, electrophysiological, and pathological studies were performed in all cases. RESULTS Nerve biopsies of 22 patients were diagnosed as NSVN. The pathological features were vasculitis and predominant axonal degeneration with a varying pattern of myelinated fiber loss. The vasculitic changes were found mainly in small epineural blood vessels. Mononeuritis multiplex and distal symmetrical sensorimotor neuropathy were equally frequent. CONCLUSION NSVN should be suspected in a case of unexplained polyneuropathy without evidence of systemic involvement. Clinical and neurophysiological studies are essential for the detection of nerve involvement, but the specific diagnosis of NSVN may be missed unless a biopsy is performed.
High rate of complete recanalization and dramatic clinical recovery during tPA infusion when continuously monitored with 2-MHz transcranial Doppler monitoring.

Background and Purpose—Clot dissolution with tissue plasminogen activator (tPA) can lead to early clinical recovery after stroke. Transcranial Doppler (TCD) with low MHz frequency can determine arterial occlusion and monitor recanalization and may potentiate thrombolysis. Methods—Stroke patients receiving intravenous tPA were monitored during infusion with portable TCD (Multigon 500M; DWL MultiDop-T) and headframe (Marc series; Spencer Technologies). Residual flow signals were obtained from the clot location identified by TCD. National Institutes of Health Stroke Scale (NIHSS) scores were obtained before and after tPA infusion. Results—Forty patients were studied (mean age 70±16 years, baseline NIHSS score 18.6±6.2, tPA bolus at 132±54 minutes from symptom onset). TCD monitoring started at 125±52 minutes and continued for the duration of tPA infusion. The middle cerebral artery was occluded in 30 patients, the internal carotid artery was occluded in 11 patients, the basilar artery was occluded in 3 patien.
Health Insurance Coverage and Reemployment Outcomes Among Older Displaced Workers

This article investigates the relationship between health insurance coverage and employment behavior among older workers with an involuntary job loss. It finds that various sources of health insurance are available to mitigate the circumstances where employer-sponsored health insurance is terminated when older workers lose jobs involuntarily. However, older displaced workers remain less likely to be insured than comparable nondisplaced workers by 7.6 percentage points one year after the job loss. The analysis also reveals that having secure health coverage before job displacement is associated with lower probabilities of reemployment and longer postdisplacement nonemployment spells. (JEL "I12", "J32", "J63", "J14") Copyright 2005 Western Economic Association International.
Betalen voor dierenwelzijn: barrières en oplossingsrichtingen in consumentenmarkten en business-to-business markten

Het verbeteren van dierenwelzijn tot een niveau dat uitstijgt boven het wettelijke minimum wordt overgelaten aan de markt. LNV wil dit proces onder andere stimuleren door een dierenwelzijnsindex te ontwikkelen. Omdat een verbetering van het dierenwelzijn onvermijdelijk lijkt verbonden met extra kosten, is de prijs in zowel de consumentenmarkt als in de rest van de keten een belangrijke barriere voor de verbetering van dierenwelzijn in de veehouderij. Dit rapport is gericht op hoe deze meerkosten van dierenwelzijn gemanaged kunnen worden. Daartoe is een literatuuronderzoek uitgevoerd gericht op consumenten, retailers en ketens. The improvement of animal welfare to a level that is significantly higher than the statutory minimum is currently left down to market forces. The Ministry of Agriculture, Nature and Food Quality is keen to encourage this process through the development of an animal welfare index, for example. Since an improvement in animal welfare would inevitably appear to be connected with extra costs, the price forms a significant barrier to the improvement of animal welfare in livestock production, both in the consumer market and in the rest of the chain. This report focuses on how these additional costs of animal welfare can be managed. To this end, a literature study was carried out, focusing on consumers, retailers and chains.
A game theoretical approach to competition between multi-user terminals: the impact of dedicated terminals

In response to globalization and structural changes in logistics, firms in the transport industry have re-evaluated the scope of their activities [1]. A large number of shipping lines are vertically integrated to include terminal operations through shareholdings in or full ownership of dedicated terminal facilities. A number of terminal operating companies expanded their activities from their respective homeports to an international terminal network structure. These two developments have led to a competitive setting in which trans-national terminal operating companies and shipping lines vie for the control over terminal capacity. In this paper, a horizontal product differentiation model is introduced to analyze competition between container terminals using a game theoretic approach. We focus on a landlord port management system with long-term concessions agreements shaping the formal relationships between the Port Authority (PA) (who owns the land) and the private Terminal Operators (TOs) (who use the land for terminal activities). Starting from the linear city model of Hotelling [2], we develop a framework for Cournot competition between multi-user terminals. By comparing the results (expected payoffs for potential TOs and PAs) of different cases, this paper demonstrates how the shift toward a fully dedicated terminal impacts on intra-port and inter-port competition between the remaining multi-user terminals. The model is illustrated by referring to a case of terminal competition in a realistic setting.
Debt, Growth and Budgetary Regimes

Within the Barro (1990) model of productive public services, but with the inclusion of public debt, we derive and characterize on the balanced growth path, a set of welfare-maximizing fiscal rules under two budgetary regimes - one with only the standard dynamic government budget constraint, and the other involving the golden rule of public finance. We demonstrate analytically that the optimal fiscal policy differs in the two budgetary regimes considered. We also analyse two cases within the second regime: one, where the ratio of current spending to tax revenues is parametrically given, and another, where this ratio is optimally chosen by the government. Copyright Blackwell Publishers Ltd and the Board of Trustees of the Bulletin of Economic Research, 2004.
Factors Associated with the Internal Audit Function's Role in Corporate Governance

Purpose - The purpose of this paper is to investigate several variables that are theoretically associated with the internal audit function (IAF) having an active role in corporate governance. Design/methodology/approach - The paper uses responses from 782 US Chief Audit Executives (CAEs) in the CBOK (2006) database for the investigation. The paper makes the assumption that an IAF has only one CAE, thus the dataset represents 782 US IAFs. Findings - It is found that an IAF having an active role in corporate governance is significantly and positively associated with the use of a risk-based audit plan, existence of a quality assurance and improvement program, and audit committee input to the audit plan. Control variables such as stock exchange listing, firm size, the existence of an internal control framework, and a CAE with an internal auditing qualification also are positively associated with the IAF having an active role in corporate governance. Research limitations/implications - A limitation of this study is that CAE perceptions may deviate from actual practice. Also, the sample is limited to the US CAEs who are also IIA members, thus it may not reflect the views of non-members and the CAEs from other countries. Practical implications - The results have implications for CAEs who wish to increase the chance for their IAFs to play an active role in corporate governance. The IIA may benefit from these results in its supporting role for the internal auditing profession. Originality/value - The study is complementary to the literature on the existence and size of the IAF and reveals several avenues for further research.
Supporting the Transference of Knowledge about Language within Teacher Education Programs.

Teacher education is effective when pre-service teachers are able to transfer knowledge from content areas to practice. This study investigates the extent to which curriculum and assessment designs, along with teaching practices, supported pre-service teachers to transfer knowledge gained about language from a first-year course into a second-year course on planning for effective learning in diverse contexts. Questionnaires and discourse analysis of assessment tasks provided insight into the extent to which the strategies designed to support transference succeeded. The findings indicate that transference of language knowledge occurs when this goal permeates curriculum and assessment design, as well as teaching practices.
Nonfinancial Information and Accounting: A Reconsideration of Benefits and Challenges

SYNOPSIS: Recent years have seen widespread interest in supplementing or replacing accounting information with nonfinancial information (NFI) in a variety of uses such as incentive compensation, prediction of costs and profits, and firm valuation. The joint use of NFI and accounting has had mixed results, however. Research has documented benefits to such use but has also documented significant challenges. This commentary summarizes research that addresses two particularly important challenges in using combinations of accounting and NFI: measuring nonfinancial performance accurately and weighting measures appropriately when multiple accounting and nonfinancial measures are used together. These challenges are related, in that the nature and magnitude of measurement error helps to determine appropriate weights on multiple measures. Two common themes appear in strategies for dealing successfully with these challenges. The first is that matching information properties to decision types can limit the need for c.
Epileptic Encephalopathies with Myoclonic Seizures in Infants and Children (Severe Myoclonic Epilepsy and Myoclonic-Astatic Epilepsy)

Myoclonic attacks are not characteristic of a specific syndrome. In infancy and early childhood, they are often observed in the context of syndromes that are associated with other types of seizures and with cognitive impairment but no obvious brain lesion. Characterization of the associated seizures and age of expression allows inclusion of a number of cases in two main subgroups: severe myoclonic epilepsy (SME, or Dravet syndrome) and myoclonic-astatic epilepsy (MAE). Severe myoclonic epilepsy is an epileptic encephalopathy with invariably poor outcome in which myoclonic seizures, though frequently observed, may be absent altogether in some children. Prolonged and repeated febrile and afebrile convulsive seizures starting in infancy are the main feature and are probably causally related to cognitive decline. One third of children harbor mutation of the SCN1A gene, but the genetics of SME is probably more complex than expected with simple monogenic disorders. Treatment is usually disappointing. Myoclonic-astatic epilepsy is perhaps more a conceptual category of idiopathic myoclonic epilepsy than a discrete syndrome. Childhood-onset myoclonic-astatic attacks are the characteristic seizures associated in most with episodes of nonconvulsive status and generalized tonic-clonic seizures. Outcome is unpredictable. Either remission within a few years with normal cognition or long-lasting intractability with cognitive impairment is possible. Likewise, the effectiveness of antiepileptic drugs is variable. A number of cases of myoclonic epilepsies in infancy and early childhood, however, remain unclassified, and intermediate forms between the different syndromes exist. They must be distinguished from other syndromes with frequent brief attacks and repeated falls, especially the Lennox-Gastaut syndrome. This differentiation is often difficult and may require extensive neurophysiologic studies.
Do New Generations Imply the End of Solidarity? Swedish Unionism in the Era of Individualization

The role of trade unions in modern society is challenged, partly by external factors but primarily by a threat from within the organizations. We argue that the processes of individualization and an increasing differentiation of the workforce undermine unions' traditional forms of interest representation because different generations express differing relationships to the union movement. Questionnaire data from Swedish blue-collar workers are congruent with our postulations that the older generations share the ideology and mission of their unions while the young generation expresses more instrumental union attitudes. The implications of the conceptual arguments and empirical findings are discussed with reference to union policy-making and the future roles of the trade unions.
Plasma beta-2 microglobulin as a marker of frailty in older adults: a pilot study.

Liens [1] http://okina.univ-angers.fr/cedric.annweiler/publications [2] http://okina.univ-angers.fr/publications? f%5Bauthor%5D=18467 [3] http://okina.univ-angers.fr/publications? f%5Bauthor%5D=17588 [4] http://okina.univ-angers.fr/publications? f%5Bauthor%5D=17589 [5] http://okina.univ-angers.fr/publications? f%5Bauthor%5D=17600 [6] http://okina.univ-angers.fr/o.beauchet/publications [7] http://okina.univ-angers.fr/publications? f%5Bkeyword%5D=15403 [8] http://okina.univ-angers.fr/publications? f%5Bkeyword%5D=15400 [9] http://okina.univ-angers.fr/publications? f%5Bkeyword%5D=15401 [10] http://okina.univ-angers.fr/publications? f%5Bkeyword%5D=7726 [11] http://okina.univ-angers.fr/publications? f%5Bkeyword%5D=15402 [12] http://okina.univ-angers.fr/publications? f%5Bkeyword%5D=15404 [13] http://dx.doi. org/10.1093/gerona/glr104
Restaurant Marketing on the Worldwide Web

A large portion of the so-called information superhighway is the internet, which allows people to communicate through computers using electronic mail, bulletin boards, and news groups, among other means. One section of the internet, the worldwide web (WWW), is a network of computers carrying information for public dissemination. Many companies, institutions, and individuals have created WWW "home pages," which are computer files with text, graphics, and links to other, related pages. "Visitors" to web pages are said to be "surfing the net," checking new sites for interesting information or graphics. The WWW now has many commercial sites that seek to get companies' messages to the public in a new and untested medium. While some hospitality companies have WWW sites, most do not, and restaurants are under-represented. Existing restaurant sites, however, make reasonably sophisticated use of the web's capabilities (e.g., text, graphics, sound, and interactive screens). The technology of the internet may allow marketers to take the ultimate step in mass customization, which is to create a distinct message (and package of product and services) for each customer. It almost certainly will allow personal interaction between restaurateurs and customers.