Miracle-dz/UniFAR-FTUs huggingface dataset:
Drug design by machine learning: ensemble learning for QSAR modeling

A common step in drug design is the formation of a quantitative structure-activity relationship (QSAR) to model an exploratory series of compounds. A QSAR generalizes how the structure of a compound relates to its biological activity. There is growing interest in the application of machine learning techniques in QSAR modeling research. However, no single technique can claim to be uniformly superior to any other. This study introduced the ensemble machine learning, a set of classifiers whose individual decisions are combined in some way (typically by weighted or unweighted voting) to improve the performance of the overall system. A comparative study was carried out of two popular ensemble learning algorithms, Bagging and AdaBoost, for QSAR modeling. Two test case problems were studied: the inhibition of Escherichia coli dihydrofolate reductase (DHFR) by pyrimidines, and the inhibition of rat/mouse tumor DHFR by triazines. It was observed that the ensemble learning algorithms, Bagging and AdaBoost, can significantly improve the performance of decision tree C4.5 and 1-R (p - 0.05), while naive Bayesian and 1-nearest neighbor did not benefit from ensemble learning. Furthermore, in general, AdaBoost outperformed Bagging on the tested data sets.
The association between dietary vitamin K intake and serum undercarboxylated osteocalcin is modulated by vitamin K epoxide reductase genotype

Vitamin K acts as a cofactor during the γ-carboxylation of vitamin K-dependent proteins. Undercarboxylated osteocalcin (ucOC) is a suggested biomarker of vitamin K status. The +2255 polymorphism of the vitamin K epoxide reductase gene (VKORC1) was shown to be associated with the recycling rate of the active form of vitamin K. We investigated the association between dietary vitamin K intake and serum ucOC and hypothesized that this association might vary by VKORC1 genotype. ucOC and total intact osteocalcin (iOC) concentrations were quantified using specific ELISA tests in serum samples of 548 male and female participants (aged 18–81 years) of the Bavarian Food Consumption Survey II. ucOC was expressed relative to iOC (ucOC/iOC ratio). Dietary intake of vitamin K (phylloquinone and menaquinones) was estimated from three 24 h dietary recalls using previously published food composition data. The association between dietary vitamin K intake and ucOC/iOC ratio was analysed using linear and non-linear regression models. Median intakes of phylloquinone/menaquinones were 83·4/37·6 μg/d in men and 79·6/29·8 μg/d in women, respectively. As expected, vitamin K intake was significantly inversely associated with the ucOC/iOC ratio. The ucOC/iOC ratio differed significantly across variants of the +2255 polymorphism in the VKORC1 gene. Stratification by VKORC1+2255 genotype revealed that only in carriers of the GG genotype (39 % of all participants) did the ucOC/iOC ratio significantly decrease with increasing intake of vitamin K. Thus, the results show that the inverse association between dietary vitamin K intake and serum ucOC depends on a functionally relevant allelic variant of the VKORC1 gene.
Exploring the rationale for group music activities for parents and young children: Parents’ and practitioners’ perspectives

Children’s Centres are widespread in England and comprise multi-professional staff teams seeking to work with families with children aged 0–5 years. Although parent–child group music sessions appear frequently in Children’s Centre activity programmes, the rationale for their inclusion remains unclear. This article presents the results from phase two of an exploratory mixed-methods study which investigated the role of and rationale for parent–child (0–3 years) group music making activities in Children’s Centres. The perceptions of parents and practitioners were considered, and differences were found between them. The themes generated by the initial qualitative interview study (phase one) were investigated further in this quantitative questionnaire study (phase two), which involved 49 practitioners and 91 parents. Seven thematic categories of the perceived benefits of music—Social, Emotional, Learning, Teaching, Links to Home, Parenting, and Organisational—which had been identified in the interview study, were used as the basis of the design of the questionnaire. Statistical analyses revealed some significant differences between the expressed views of parent and practitioner groups, as well as between parents in different broad age groups. Practitioners expressed more positive views about the perceived benefits of music for parents than were expressed by the parents themselves. Parents in the majority age group (27–35 years) appeared to express significantly more positive opinions on a variety of questionnaire items than did parents in both younger and older age groups. Working practices of Children’s Centre practitioners appear to include music group activities for which they have had little training. A new practitioner role is proposed: that of social music pedagogue. The questionnaire results have augmented and enhanced the findings of the interview study and suggest that the rationale for parent–child music group activities in Children’s Centres is centred on the benefits for children’s social, cultural, emotional and cognitive development.
Dimension and Dynamics for Fractal Recurrent Sets

The fractal 'recurrent sets' defined by F. M. Dekking are analysed using subshifts of finite type. We show how Dekking's method is related to a construction due to J. Hutchinson, and prove a conjecture of Dekking concerning conditions under which the best general upper bound for the Hausdorff dimension for recurrent sets is actually equal to the Hausdorff dimension. Introduction Since the publication of Mandelbrot's book [9] there has been wide interest in fractals. The appearence of [9] stimulated several mathematical papers, including one by Hutchinson [8] which analysed strictly self-similar sets using constructions closely related to the full shift spaces and Markov partitions used in the study of dynamical systems. A different construction of fractals was given by Dekking [5]. Here we show how Dekking's method is related to that of Hutchinson. There is a best general upper estimate of Hausdorff dimension for recurrent sets, and we are interested in finding conditions under which this general estimate is actually equal to the Hausdorff dimension. When the scaling map is a similitude, this depends on how the different pieces of the fine structure of a recurrent set intersect. Dekking [7] gives a condition called 'resolvability' which ensures that such intersection is only slight. We prove his conjecture, that resolvability holds if and only if the general estimate is equal to the Hausdorff dimension, by using techniques from dynamical systems. Dekking's formalism is useful for constructing mathematical objects because it gives a large degree of control over the geometric properties of the fractal to be generated. In another paper [2] we use recurrent sets to construct invariant sets and 'canonical' Markov partitions for hyperbolic automorphisms of the 3-torus. I should like to thank F. M. Dekking whose work stimulated my own and C. Series who supervised part of this work. I should also like to thank Noel Lloyd and the referee for their comments. This work was supported by the SERC and the King's College Research Centre. Background and definitions A quantity which gives a notion of the 'rarity' or 'thickness' of a set is Hausdorff dimension. Given Y c U the a-dimensional Hausdorff measure of Y is defined as HMa(Y) = lim infix |diamQ|°: {JC^Y £-»o u i Y Received 1 March 1985. 1980 Mathematics Subject Classification 28A75. J. London Math. Soc. (2) 33 (1986) 89-100
Cognitive and Electrophysiological Correlates of the Bilingual Stroop Effect

The color word Stroop effect in bilinguals is commonly half the magnitude when the written and naming languages are different (between) than when they are the same (within). This between-within language Stroop difference (BWLS) is likened to a response set effect, with greater response conflict for response relevant than irrelevant words. The nature of the BWLS was examined using a bilingual Stroop task. In a given block (Experiment 1), color congruent and incongruent words appeared in the naming language or not (single), or randomly in both languages (mixed). The BWLS effect was present for both balanced and unbalanced bilinguals, but only partially supported a response set explanation. As expected, color incongruent trials during single language blocks, lead to slower response times within than between languages. However, color congruent trials during mixed language blocks led to slower times between than within languages, indicating that response-irrelevant stimuli interfered with processing. In Experiment 2, to investigate the neural timing of the BWLS effect, event related potentials were recorded while balanced bilinguals named silently within and between languages. Replicating monolingual findings, an N450 effect was observed with larger negative amplitude for color incongruent than congruent trials (350–550 ms post-stimulus onset). This effect was equivalent within and between languages, indicating that color words from both languages created response conflict, contrary to a strict response set effect. A sustained negativity (SN) followed with larger amplitude for color incongruent than congruent trials, resolving earlier for between than within language Stroop. This effect shared timing (550–700 ms), but not morphology or scalp distribution with the commonly reported sustained potential. Finally, larger negative amplitude (200–350 ms) was observed between than within languages independent of color congruence. This negativity, likened to a no-go N2, may reflect processes of inhibitory control that facilitate the resolution of conflict at the SN, while the N450 reflects parallel processing of distracter words, independent of response set (or language). In sum, the BWLS reflects brain activity over time with contributions from language and color conflict at different points.
Nature And Determinants Of Innovation And Technology Upgrading In Industry In Central And Eastern Europe

In this report, we analyze factors that underlie differences in technology and industry upgrading between different CEE economies as well as between different industrial sectors in these economies. A first part of the paper looks at the relationship between innovation and technology upgrading of East European economies and growth. Second part describes the transformation processes across several dimensions of national industrial systems in Eastern Europe (enterprises, R&D and innovation activities, international value chains and industry sectors). Third part analyzes the role of the state in transformation of national industrial systems and evaluates policy activities. Fourth part draws conclusions and summarizes key findings.
Liminality in Management and Organization Studies: Process, Position and Place

This paper explores liminality, a concept receiving increased attention in management and organization studies and gaining prominence because of its capacity to capture the interstitial and temporary elements of organizing and work. The authors present a systematic review of the literature on liminality, covering 61 published papers, and undertake a critical analysis of how the concept of liminality has been used in prior research. This review reveals associations with three main themes: process; position; and place. For each theme, the authors identify the central research questions posed, while comparing individual and collective levels of analysis. During this process, the authors revisit several ideas central to the original, anthropological research on liminality, a perspective from which they suggest a rejuvenation of liminality research in management and organization studies. This paper argues for a greater focus on the liminal experience itself – especially its ritual and temporal dimensions – and for improving the comparative analysis of liminality following the three themes identified in this paper. The authors suggest that revising the agenda for liminality research along these lines could facilitate more informed responses to the challenges of an increasingly temporary and dynamic work life.
Towards Usage of Wireless MEMS Networks in Industrial Context

Industrial applications have specific needs which require dedicated solutions. On the one hand, MEMS can be used as affordable and tailored solution while on the other hand, wireless sensor networks (WSNs) enhance the mobility and give more freedom in the design of the overall architecture. Integrating these two technologies would allow more optimal solutions in terms of adaptability, ease of deployment and reconfigurability. The objective of this article is to define the new challenges that will have to be solved in the specific context of wireless MEMS networks applied to industrial applications. To illustrate the current state of development of this domain, two projects are presented: the Smart Blocks project and the OCARI project.
Globular Clusters in the Sombrero Galaxy (NGC 4594)

The Sombrero galaxy, NGC 4594, contains the most numerous globular cluster system of any nearby spiral. It is an ideal candidate in which to study the globular clusters and contrast them with those in Local Group spirals. Here we present B and I imaging from the CTIO Schmidt telescope which gives a field-of-view of 31' x 31'. Using DAOPHOT we have detected over 400 globular clusters and derived their magnitudes, B--I colors and photometric metallicities. We have attempted to separate our sample into disk and bulge/halo globular cluster populations, based on location in the galaxy. There is some evidence that the disk population is more metal--rich than the bulge/halo globular clusters, however contamination, dust reddening and small number statistics makes this result very tentative. We find that the median metallicity of the bulge/halo globular clusters is [Fe/H] = -0.8. This metallicity is consistent with previous estimates based on smaller samples. It is also similar to the metallicity predicted by the globular cluster metallicity -- galaxy luminosity relation. As with our Galaxy, there is no radial metallicity gradient in the halo globular clusters. This suggests that the spheriodal component of NGC 4594 did not form by a dissipational process.
Sialic acid content of infant saliva: comparison of breast fed with formula fed infants

Sialic acid is found in especially high concentrations in brain gangliosides, and supplementary sialic acid is associated with increased learning behaviour in animals. It was hypothesised that breast fed infants may have higher concentrations of sialic acid in body fluids and tissues because human milk is a rich source of sialylated oligosaccharides, while formulas contain very little. The aim therefore was to compare the sialic acid content of saliva collected from full term infants who were either solely breast fed or formula fed until weaning at 3–5 months of age. Thirty three infants, 18 breast fed and 15 formula fed, were studied at a mean (SD) age of 5 (2) months. The breast fed infants, when compared with formula fed infants, were found to have almost two times more free sialic acid in saliva (mean (SE) 16.0 (2.7) v 8.2 (2.1) mg/l, p < 0.036) and nearly 50% more total sialic acid (47.3 (3.9)v 32.2 (4.4) mg/l, p<0.014). The findings provide a preliminary indication that an exogenous source of sialic acids derived from human milk may contribute to higher concentrations of sialic acid in body fluids. There are important implications for the formulation of human milk substitutes. Key messages Sialic acid is found in especially high concentrations in the gangliosides of the cerebral cortex of the human brain Human milk contains significant amounts of sialic acid but infant formulas contain very little In rats, supplementary sialic acid has been shown to increase learning and the concentration of sialic acid in brain gangliosides In this study, breast fed infants, compared with formula fed infants, were found to have higher concentrations of sialic acid in saliva An exogenous source of sialic acids derived from human milk may contribute to higher concentrations of sialic acid in other body fluids, including brain gangliosides
The relationship between foster care families and birth families in a child welfare context: The determining factors

Children placed in foster care families usually continue to see their birth parents in supervised and home visits. These children deal with the fact that they belonged to two families in a context where the relationship between the two families is sometimes complex and tense. Based on 45 semi-structured interviews conducted with foster care families and kinship foster care families, the present study examines the relationship between foster care parents and birth parents in a placement context, and focuses on the factors affecting the nature and quality of this relationship. The results showed that the quality of the relationship dynamics varies according to the following: how well and how often the parent–child visits took place, the birth parents' characteristics, and the foster carers' attitudes. The results also showed that placements in kinship foster care families were more likely to result in conflict and tension between the two parties than placements in regular foster care families.
Lateral Transfer of a Lectin-Like Antifreeze Protein Gene in Fishes

Fishes living in icy seawater are usually protected from freezing by endogenous antifreeze proteins (AFPs) that bind to ice crystals and stop them from growing. The scattered distribution of five highly diverse AFP types across phylogenetically disparate fish species is puzzling. The appearance of radically different AFPs in closely related species has been attributed to the rapid, independent evolution of these proteins in response to natural selection caused by sea level glaciations within the last 20 million years. In at least one instance the same type of simple repetitive AFP has independently originated in two distant species by convergent evolution. But, the isolated occurrence of three very similar type II AFPs in three distantly related species (herring, smelt and sea raven) cannot be explained by this mechanism. These globular, lectin-like AFPs have a unique disulfide-bonding pattern, and share up to 85% identity in their amino acid sequences, with regions of even higher identity in their genes. A thorough search of current databases failed to find a homolog in any other species with greater than 40% amino acid sequence identity. Consistent with this result, genomic Southern blots showed the lectin-like AFP gene was absent from all other fish species tested. The remarkable conservation of both intron and exon sequences, the lack of correlation between evolutionary distance and mutation rate, and the pattern of silent vs non-silent codon changes make it unlikely that the gene for this AFP pre-existed but was lost from most branches of the teleost radiation. We propose instead that lateral gene transfer has resulted in the occurrence of the type II AFPs in herring, smelt and sea raven and allowed these species to survive in an otherwise lethal niche.
Network Formation, Cost-Sharing and Anti-Coordination

The objective of this work is to analyze how social networks coevolve with other dimensions of agents' choice. We present a model where agents choose their neighbors as well as a mode of behavior in 2 × 2 anti-coordination games, i.e. games where an individual's best response is to behave differently than the opponent. Links are costly. The cost of a link is shared between the two individuals involved in it, but not necessarily in a symmetric way. We characterize the set of Nash equilibria of the resulting social game and show how this set shrinks as the shares of the link cost are more equal. In the extreme case in which each agent pays half of the cost, there is a unique equilibrium. We also show that, as usual in the literature of network formation, there is a general misalignment between the stable and efficient states of the game.
The Efficacy of Wrist Protectors in Preventing Snowboarding Injuries

Injuries of the wrist are common among snowboarders and in-line skaters. Wrist protectors have been developed to protect against injury. Some studies support the use of such wrist protection, but others emphasize the fact that wrist protectors may transfer the injury to other locations in the forearm. We conducted a prospective, randomized, clinical study of 5029 snowboarders, 2515 in a braced group and 2514 in a control group. The primary endpoint was fracture or sprain of the wrist with loss of range of motion and pain of at least a 3-day duration. Concomitant injuries were also recorded. Eight wrist injuries occurred in the braced group and 29 occurred in the control group. This was a significant difference. Beginners (first 5 days on a snowboard) and snowboarders with rented equipment were more prone to injury than others. No injuries could be related to the use of the wrist brace. We conclude that wrist braces are effective in protecting snowboarders against wrist injury. Beginners are a high-risk group.
Consumo de drogas, opinião pública e moralidade: motivações e argumentos baseados em uso

Este artigo analisa dados de um survey nacional de 2013, representativo da populacao brasileira com 16 anos e mais, que abordou percepcoes, praticas e opinioes sobre o uso de drogas psicoativas no Brasil. Descreve o comportamento de diferentes segmentos sociodemograficos quanto ao consumo de alcool, tabaco e drogas ilicitas, relacionando-o a uma escala atitudinal, construida como sintese de oito variaveis com opinioes sobre consumo e politica para drogas hoje ilegais. Recorre a tecnica de regressao logistica multinomial para identificar as variaveis preditoras de dois posicionamentos a primeira vista contraditorios, em termos de dissonância entre comportamento declarado e atitude manifesta: os usuarios de drogas ilicitas proibicionistas – favoraveis a manutencao da politica de drogas vigente, que criminaliza o consumo e prioriza o enfoque do problema como questao de seguranca publica – e os nao usuarios antiproibicionistas. Analisa tais posicionamentos a luz da teoria psicossocial construtivista da moralidade, desenvolvida por Jean Piaget e Lawrence Kohlberg, expondo o potencial da mesma para compreende-los e para abordar a discussao das politicas publicas voltadas para lidar com o fenomeno universal do consumo de substâncias psicoativas.
Modulation of spinal excitability during observation of hand actions in humans

There is growing evidence that observation of actions performed by other individuals activates observer's cortical motor areas. This matching of observed actions on the observer's motor repertoire could be at the basis of action recognition. Here we investigated if action observation, in addition to cortical motor areas, involves also low level motor structures mimicking the observed actions as if they were performed by the observer. Spinal cord excitability was tested by eliciting the H‐reflex in a finger flexor muscle (flexor digitorum superficialis) in humans looking at goal‐directed hand actions presented on a TV screen. We found that, in the absence of any detectable muscle activity, there was in the observers a significant modulation of the monosynaptic reflex size, specifically related to the different phases of the observed movement. The recorded H‐reflex rapidly increased in size during hand opening, it was depressed during hand closing and quickly recovered during object lifting. This modulation pattern is, however, opposite to that occurring when the recorded muscles are actually executing the observed action [Lemon et al. (1995) J. Neurosci. , 15, 6145–56]. Considering that, when investigated at cortical level the modulation pattern of corticospinal excitability replicates the observed movements [Fadiga et al. (1995) J. Neurophysiol. , 73, 2608–2611], this spinal ‘inverted mirror’ behaviour might be finalised to prevent the overt replica of the seen action.