Miracle-dz/UniFAR-FTUs huggingface dataset:
Characterization of the denaturation of human α‐lactalbumin in urea by molecular dynamics simulations

Molecular dynamics (MD) simulations were used to characterize the non‐cooperative denaturation of the molten globule A‐state of human α‐lactalbumin by urea. A solvent of explicit urea and water molecules was used, corresponding to a urea concentration of approximately 6M. Three simulations were performed at temperatures of 293K, 360K and 400K, with lengths of 2 ns, 8 ns and 8 ns respectively. The results of the simulations were compared with experimental data from NMR studies of human α‐lactalbumin and related peptides. During the simulations, hydrogen bonds were formed from the protein to both urea and water molecules as intra‐protein hydrogen bonds were lost. Urea was shown to compete efficiently with water as both a hydrogen bond donor and acceptor. Radial distribution functions of water and urea around hydrophobic side chain atoms showed a significant increase in urea molecules in the solvation shell as the side chains became exposed during denaturation. A considerable portion of the native‐like secondary structure persisted throughout the simulations. However, in the simulations at 360K and 400K, there were substantial changes in the packing of aromatic and other hydrophobic side chains in the protein, and many native contacts were lost. The results suggest that during the non‐cooperative denaturation of the molten globule, secondary structure elements are stabilized by non‐specific, non‐native interactions. Proteins 2005. © 2004 Wiley‐Liss, Inc.
Lexicon-Based Sentiment Analysis in the Social Web

Sentiment analysis is a compelling issue for both information producers and consumers. We are living in the “age of customer”, where customer knowledge and perception is a key for running successful business. The goal of sentiment analysis is to recognize and express emotions digitally. This paper presents the lexicon-based framework for sentiment classification, which classifies tweets as a positive, negative, or neutral. The proposed framework also detects and scores the slangs used in the tweets. The comparative results show that the proposed system outperforms the existing systems. It achieves 92% accuracy in binary classification and 87% in multi-class classification.
Returns to Welfare Under Welfare Reform

Abstract The federally-imposed lifetime limit on cash assistance receipt compels program administrators to examine returns to welfare after an exit. We explore recidivism among a random sample of 2,665 Maryland families who left welfare between October 1996 and December 1997. Using administrative data, we compare the demographic characteristics, welfare histories, and work histories of recidivists and non-recidivists. Results indicate that most families do not return to welfare within a year. However, almost one-third do return, often within the first 30 days. This rarely investigated “administrative churning” phenomenon is important because of the federal time limit, the valuable agency resources which are consumed in handling churning cases and the possible negative consequences of churning on family well-being.
Validation of the Harvard Six Cities Study of particulate air pollution and mortality.

To the Editor: In a 16-year prospective cohort study of six cities in the northeastern and midwestern United States beginning in the 1970s, Dockery et al.1 reported that long-term exposure to ambient fine particles (with an aerodynamic diameter of 2.5 μm) was positively associated with both overall mortality and mortality from cardiopulmonary causes. Because the Harvard Six Cities Study played a pivotal and controversial role2–6 in the establishment of the current U.S. objective for ambient air quality with respect to fine particles,7 the Environmental Protection Agency, industry, and nongovernmental organizations called for an independent reanalysis of this study to .
Biogeographic Affinity Helps Explain Productivity‐Richness Relationships at Regional and Local Scales

The unresolved question of what causes the observed positive relationship between large‐scale productivity and species richness has long interested ecologists and evolutionists. Here we examine a potential explanation that we call the biogeographic affinity hypothesis, which proposes that the productivity‐richness relationship is a function of species’ climatic tolerances that in turn are shaped by the earth’s climatic history combined with evolutionary niche conservatism. Using botanical data from regions and sites across California, we find support for a key prediction of this hypothesis, namely, that the productivity–species richness relationship differs strongly and predictably among groups of higher taxa on the basis of their biogeographic affinities (i.e., between families or genera primarily associated with north‐temperate, semiarid, or desert zones). We also show that a consideration of biogeographic affinity can yield new insights on how productivity‐richness patterns at large geographic scales filter down to affect patterns of species richness and composition within local communities.
Characterization of Recombinant Hepatitis A Virus Genomes Containing Exogenous Sequences at the 2A/2B Junction

ABSTRACT Hepatitis A virus (HAV) differs from other members of the familyPicornaviridae in that the cleavage of the polyprotein at the 2A/2B junction, commonly considered to be the primary polyprotein cleavage by analogy with other picornaviruses, is mediated by 3Cpro, the only proteinase encoded by the virus. However, it has never been formally demonstrated that the 2A/2B junction is the site of primary cleavage, and the actual function of the 2A sequence, which lacks homology with sequence of other picornaviruses, remains unknown. To determine whether 2A functions in cis as a precursor with the nonstructural proteins, we constructed dicistronic HAV genomes in which a heterologous picornaviral internal ribosome entry site was inserted at the 2A/2B junction. Transfection of permissive FRhK-4 cells with these dicistronic RNAs failed to result in the rescue of infectious virus, indicating a possible cisreplication function spanning the 2A/2B junction. However, infectious virus was recovered from recombinant HAV genomes containing exogenous protein-coding sequences inserted in-frame at the 2A/2B junction and flanked by consensus 3Cpro cleavage sites. The replication of these recombinants was less efficient than that of the parent virus but was variable and not dependent upon the length of the inserted sequence. An HAV recombinant containing a 420-nt insertion encoding the bleomycin resistance protein Zeo was stable for up to five passages in cell culture. Inserted sequences were deleted from replicating viruses, but this did not result from homologous recombination at the flanking 3Cpro cleavage sites, since the 5′ and 3′ segments of the inserted sequence were retained in the deletion mutants. These results indicate that the HAV polyprotein can tolerate an insertion at the 2A/2B junction and that the 2A polypeptide does not function incis as a 2AB precursor. Recombinant HAV genomes containing foreign protein-coding sequences inserted at the 2A/2B junction are novel and potentially useful protein expression vectors.
Ein Vergleich unterschiedlicher Trainingsmethoden bezüglich des Zusammenhanges zwischen Achtsamkeit und Wohlbefinden und die Erfassung der zugrundeliegenden Wirkmechanismen

In dieser Studie wurde erforscht, ob unterschiedliche Trainingsmethoden, deren Bestandteil fokussierte Aufmerksamkeit ist, sowie Trainingsdauer und Trainingsqualitat ebenfalls eine Steigerung der Achtsamkeit bewirken konnen. Die Trainingsmethoden wurden in einseitiges und vielseitiges Training unterschieden. Die Trainingsmethoden die untersucht wurden, waren Zen-Mediation, Kung-Fu, Klettern und Pilates. Diese wurden mit einer Kontrollgruppe verglichen, die an keinem der oben genannten Trainingsmethoden teilgenommen hat. Untersucht wurde, ob es Unterschiede hinsichtlich der Wirkung der Trainingsmethoden bezuglich Achtsamkeit gibt. Desweiteren wurde nach Wirkmechanismen, die in der Beziehung zwischen Achtsamkeit und Wohlbefinden wirken gesucht. Uberpruft wurden Spiritualitat, Flow-Erleben und Self-compassion, ob sie den Zusammenhang zwischen Achtsamkeit und Wohlbefinden mitbedingen. Auserdem wurde untersucht, ob es Unterschiede in der Achtsamkeit zwischen Mannern und Frauen gibt und ob ein Zusammenhang zwischen Alter und Achtsamkeit besteht. In Bezug auf die Unterschiede zwischen den Trainingsmethoden konnten keine signifikanten Unterschiede hinsichtlich Achtsamkeit festgestellt werden. Ebenso nicht bezuglich der Kontrollgruppe. Personen, die ein Training langer besuchten hatten hohere Werte in Achtsamkeit, als jene die noch nicht so viel Erfahrung hatten. Ebenso zeigte sich ein signifikanter Unterschied zwischen einseitigem und vielseitigem Training hinsichtlich Achtsamkeit. Personen, die ein vielseitiges Training besuchten (Kung-Fu, Pilates) berichteten uber hohere Werte in Achtsamkeit. Kung-Fu-Praktizierende hatten die hochsten Werte im Flow-Erleben, Meditierende die hochsten in Spiritualitat. Variablen wie Spiritualitat, Self-compassion, Flow-Erleben korrelierten positiv mit Achtsamkeit. Es gibt Unterschiede bezuglich Spiritualitat, Flow-Erleben und Stimmungsniveau zwischen den VG. Bezuglich Self-compassion liesen sich keine Unterschiede finden. Die untersuchten Wirkmechanismen Flow-Erleben und Self-compassion erklaren einen Teil der Varianz in der Beziehung zwischen Achtsamkeit und Wohlbefinden. In der Skala Self-compassion sind es die Skalen self-kindness, self-mindfulness und self-isolation, die diese Beziehung unterstutzen. In der vorliegenden Studie zeigten Manner hohere Werte in Achtsamkeit als Frauen, ebenso berichteten altere Teilnehmer uber eine hohere Achtsamkeit.
Choice of resonators for a WPT system in lossy materials

In order to cope with the necessity of transferring electric power through lossy dielectric materials such as house walls, human body or water, use of magnetically coupled resonator WPT system is recommended. A simple spiral resonator with series capacitance is the first candidate, followed by the second candidate, a little more sophisticated two layered spiral resonator with series capacitance. Since they confine electric energy in a narrow space effectively, the coupling becomes magnetic, which reduces dielectric loss appreciably.
Veto-Consensus Multiple Kernel Learning

We propose Veto-Consensus Multiple Kernel Learning (VCMKL), a novel way of combining multiple kernels such that one class of samples is described by the logical intersection (consensus) of base kernelized decision rules, whereas the other classes by the union (veto) of their complements. The proposed configuration is a natural fit for domain description and learning with hidden subgroups. We first provide generalization risk bound in terms of the Rademacher complexity of the classifier, and then a large margin multi-ν learning objective with tunable training error bound is formulated. Seeing that the corresponding optimization is non-convex and existing methods severely suffer from local minima, we establish a new algorithm, namely Parametric Dual Descent Procedure (PDDP) that can approach global optimum with guarantees. The bases of PDDP are two theorems that reveal the global convexity and local explicitness of the parameterized dual optimum, for which a series of new techniques for parametric program have been developed. The proposed method is evaluated on extensive set of experiments, and the results show significant improvement over the state-of-the-art approaches.
Managing moore's Law: A survival guide for VLSI circuit manufacturers

A qualitative empirical study of the VLSI circuit manufacturing explores the challenges of pursuing Moore's law. ; The study finds that - 1) leading-edge VLSI circuit manufacturing ventures tend to be highly profitable, but only if the manufacturer delivers a timely revolution in organizational performance; - 2) fast followers are increasingly having difficulty recovering their investment; and - 3) slow followers have the highest return on investment in the industry. ; These findings question whether the pursuit of Moore's law is financially sustainable. ; The study also provides an analytical model of a VLSI circuit manufacturing process that helps managers make investment decisions through scenario planning.
Performance indicators for hospital services for older people.

BACKGROUND standardised assessment is recommended in geriatric practice to improve patient care and generate quality data for audit and research. High level indicators used to measure performance of rehabilitation units suggested that more patients were discharged to long-term residential care from one of two hospitals in a Health Authority in South East England. OBJECTIVES to test whether the information provided by standardised assessment could inform performance indicators used to compare outcomes between hospitals. DESIGN prospective observational study. SUBJECTS consecutive patients admitted for rehabilitation to two general geriatric rehabilitation wards in each of two nearby district general hospitals. METHODS patients were assessed using standard tools (Barthel and Abbreviated Mental Test score) and various scales of the interRAI MDS assessment system (mental and physical functioning, pressure ulcers, continence, falls, mood), within a week of admission and up to one week before discharge. Place of residence prior to admission and discharge destination were determined. RESULTS on bivariate analysis there was a significant difference in discharge to residential and nursing homes between hospitals. Results from multivariate logistic regression analysis showed an increased risk for institutionalisation at discharge for women [odds ratio 2.42 (95% CI 1.41-4.14)] and patients with impaired cognitive function [odds ratio 1.53 (95% CI 1.28-1.82) for each point increase in MDS cognitive performance scale] and physical function [odds ratio 1.15 (95% CI 1.08-1.22) for each point increase in MDS short ADL scale]. Barthel and Abbreviated Mental Test showed similar odds ratios. Hospital did not remain a significant predictor of discharge destination following adjustment for patients' physical and cognitive function. CONCLUSIONS comparisons of outcomes between hospitals could be misleading unless informed by standardised data on physical and mental functioning of rehabilitation patients.
Platelet Accumulation on Fibrin-coated Polyethylene: Role of Platelet Activation and Factor XIII

Summary Platelet accumulation on small- and medium-calibre vascular grafts plays a significant role in graft occlusion. We examined platelet accumulation on the surface of fibrin-coated polyethylene tubing (internal diameter 0.17 cm) during 10 min of flow (l0ml/min) at high wall shear rate (764 s-1). Washed platelets labelled with 51Cr were resuspended in Tyrode solution containing albumin, apyrase and red blood cells (hematocrit 40%). When the thrombin that was used to form the fibrin-coated surface was inactivated with FPRCH2C1 before perfusion of the tubes with the platelet:red blood cell suspension, the accumulation of platelets was 59,840 ± 27,960 platelets per mm2, whereas accumulation on fibrin with residual active thrombin was 316,750 ± 32,560 platelets per mm2 (n = 4). When the fibrin on the surface was cross-linked by including recombinant factor XIII (rFXIII) in the fibrinogen solution used to prepare the fibrin-coated surface, platelet accumulation, after thrombin neutralization, was reduced by the cross-linking from 46,974 ± 9702 to 36,818 ± 7964 platelets per mm2 (n = 12, p <0.01). Platelet accumulation on tubes coated with D-dimer was ten times less than on tubes coated with D-domain; this finding also supports the observation that cross-linking of fibrin with the formation of γ-γ dimers reduces platelet accumulation on the fibrin-coated surface. Thrombin-activated platelets themselves were shown to cross-link fibrin when they had adhered to it during perfusion, or in a static system in which thrombin was used to form clots from FXIII-free fibrinogen in the presence of platelets. Thus, cross-linking of fibrin by FXIII in plasma or from platelets probably decreases the reactivity of the fibrin-containing thrombi to platelets by altering the lysine residue at or near the platelet-binding site of each of the γ-chains of the fibrinogen which was converted into the fibrin of these thrombi.
Treatment Options for Gout.

BACKGROUND 1-2% of adults in Germany suffer from gout. Gout is one of the few rheumatological diseases that can be cured. It arises through the deposition of uric acid crystals in joints as a result of hyperuricemia. Painful redness and swelling of the affected joints are typical findings. Multiple pertinent guidelines and treatment recommendations have been published, but there is reason to believe that patients with gout are not always treated accordingly. METHODS This review is based on relevant publications from the years 2000-2016 that were retrieved by a selective search in the Cochrane and PubMed databases. RESULTS In a person with normal renal function, asymptomatic hyperuricemia is not an indication for treatment to lower the serum uric acid level. The drugs of first choice for acute gouty arthritis are nonsteroidal antiinflammatory drugs (NSAID), corticosteroids, and colchicine. Treatment with xanthine oxidase inhibitors (XOI) or uricosuric drugs is indicated for patients with a recurrent or severe course; the target uric acid value is <6 mg/dL. Long-term treatment should be initiated only after resolution of the acute attack. For patients with refractory gout, lesinurad (approved in February 2016) in combination with XOI is a new treatment option that can be considered. Comprehensive patient education and counseling is an important component of the treatment of patients with gout. Regular laboratory follow-up is necessary as well. CONCLUSION The prevalence of gout is rising around the world. Patients with gout could benefit greatly from consistent implementation of the existing treatment guidelines and recommendations. In the future, controlled trials should be conducted to determine the best time to start treatment and the optimal target level for the serum uric acid concentration in terms of a risk/benefit analysis.
Public Education Supply and Student Performance

This paper develops a model of public exchange whereby voters and education policy makers exchange with one another within school districts. Because school district consolidation lowers alternatives to voters-parents, consolidation is hypothesized to raise public education spending because weakened intergovernmental competition allows policy makers to promote their own utility, rather than that of constituents. Models of public education spending and academic performance are estimated over 1988-1990. While evidence indicates little support for the traditional treatment of the Leviathan hypothesis that greater competition lowers public spending, this paper argues that education spending by itself does not fully provide a valid test of the Leviathan hypothesis since spending, by itself, does not necessarily indicate the quality of public education programmes. Empirical evidence indicates that greater numbers of schools and school districts promote higher student achievement as evidenced by higher math and verbal SAT scores, math proficiency of 8th graders, and lower high school drop-out rates. Evidence therefore suggests that, while greater numbers of school districts and schools are, to some degree, associated with higher public education spending, higher student achievement appears to follow as well.
High Risk Subgroups Sensitive to Air Pollution Levels Following an Emergency Medical Admission

For three cohorts (the elderly, socially deprived, and those with chronic disabling disease), the relationship between the concentrations of particulate matter (PM10), sulphur dioxide (SO2), or oxides of nitrogen (NOx) at the time of hospital admission and outcomes (30-day in-hospital mortality) were investigated All emergency admissions (90,423 episodes, recorded in 48,035 patients) between 2002 and 2015 were examined. PM10, SO2, and NOx daily levels from the hospital catchment area were correlated with the outcomes for the older admission cohort (>70 years), those of lower socio-economic status (SES), and with more disabling disease. Adjusted for acuity and complexity, the level of each pollutant on the day of admission independently predicted the 30-day mortality: for PM10–OR 1.11 (95% CI: 1.08, 1.15), SO2–1.20 (95% CI: 1.16, 1.24), and NOx–1.09 (1.06–1.13). For the older admission cohort (≥70 years), as admission day pollution increased (NOx quintiles) the 30-day mortality was higher in the elderly (14.2% vs. 11.3%: p < 0.001). Persons with a lower SES were at increased risk. Persons with more disabling disease also had worse outcomes on days with higher admission particulate matter (PM10 quintiles). Levels of pollutants on the day of admission of emergency medical admissions predicted 30-day hospital mortality.
Electrospun biomimetic scaffold of hydroxyapatite/chitosan supports enhanced osteogenic differentiation of mMSCs

Engaging functional biomaterial scaffolds to regulate stem cell differentiation has drawn a great deal of attention in the tissue engineering and regenerative medicine community. In this study, biomimetic composite nanofibrous scaffolds of hydroxyapatite/chitosan (HAp/CTS) were prepared to investigate their capacity for inducing murine mesenchymal stem cells (mMSCs) to differentiate into the osteogenic lineage, in the absence and presence of an osteogenic supplementation (i.e., ascorbic acid, β-glycerol phosphate, and dexamethasone), respectively. Using electrospun chitosan (CTS) nanofibrous scaffolds as the control, cell morphology, growth, specific osteogenic genes expression, and quantified proteins secretion on the HAp/CTS scaffolds were sequentially examined and assessed. It appeared that the HAp/CTS scaffolds supported better attachment and proliferation of the mMSCs. Most noteworthy was that in the absence of the osteogenic supplementation, expression of osteogenic genes including collagen I (Col I), runt-related transcription factor 2 (Runx2), alkaline phosphatase (ALP), and osteocalcin (OCN) were significantly upregulated in mMSCs cultured on the HAp/CTS nanofibrous scaffolds. Also increased secretion of the osteogenesis protein markers of alkaline phosphatase and collagen confirmed that the HAp/CTS nanofibrous scaffold markedly promoted the osteogenic commitment in the mMSCs. Moreover, the presence of osteogenic supplementation proved an enhanced efficacy of mMSC osteogenesis on the HAp/CTS nanofibrous scaffolds. Collectively, this study demonstrated that the biomimetic nanofibrous HAp/CTS scaffolds could support and enhance the adhesion, proliferation, and particularly osteogenic differentiation of the mMSCs. It also substantiated the potential of using biomimetic nanofibrous scaffolds of HAp/CTS for functional bone repair and regeneration applications.