nils-herrmann/clean_scirepeval huggingface dataset:
Spectroscopic and TD DFT studies on the turn off fluorescent chemosensor based on anthraldehyde N(4) cyclohexyl thiosemicarbazone for the selective recognition of fluoride and copper ions

The copper and fluoride ions sensing mechanism of a chemosensor based on anthraldehyde N(4) cyclohexyl thiosemicarbazone (AntCy) was investigated via colorimetric, fluorescence, electrochemical and NMR titration studies. Detailed investigations on their sensing mechanism was done using DFT and TD DFT studies. 1H NMR titration shows deprotonation of NH protons by fluoride ion is a prominent step in naked eye recognition. The Gibbs free energy of overall sensing reaction has moderate transition barrier with 18.19 kcal mol 1. Using the vibrational frequency analysis, all the local minima of ground state and excited state were confirmed. Due to the small size and strong electronegativity of fluoride, an intramolecular hydrogen bonding interaction with N(3) H, which is closer to anthracene moiety was found to be preferentially formed. The excited state proton transfer mechanism was further confirmed with donor acceptor interactions using Natural Bond Orbital (NBO) analysis and Potential Energy Surface (PES) analysis. The ICT mechanism for copper ion sensing was also confirmed with TD DFT calculations.
Spectroscopic Investigations, DFT Calculations, and Molecular Docking Studies of the Anticonvulsant (2E) 2 [3 (1H Imidazol 1 yl) 1 phenylpropylidene] N (4 methylphenyl)hydrazinecarboxamide

Drug discovery for the management of neurological disorders is a challenging arena in medicinal chemistry. Vibrational spectral studies of (2E) 2 [3 (1H imidazol 1 yl) 1 phenylpropylidene] N (4 methylphenyl)hydrazinecarboxamide (2E) IPPMP) have been recorded and analyzed to identify the functional groups and intermolecular/intramolecular interactions of the title molecule. The blue shift of the C H stretching wavenumber reveals the presence of improper C HO hydrogen bonding. The equilibrium geometry, harmonic vibrational wavenumbers, Frontier orbital energy, and natural bond orbital analyses have been carried out using density functional theory with a B3LYP/6 311
Factors influencing theme park visitor brand switching behaviour as based on visitor perception

With the development of theme parks, which represent a multi million pound industry worldwide, research investigating the factors affecting theme park visitor brand switching behaviour is an important method for improving theme park competitiveness. In the present work, models and research hypothesis are constructed based on visitor perception, and the survey data are collected and analysed to assess the hypothesis and to revise the conceptual model in this paper. The results indicate that there are seven factors influencing visitor brand switching behaviour: 'visitor variety seeking' 'visitor satisfaction' 'switching cost' 'perceived value' 'competitor attraction' 'theme park image' and 'visitor involvement' The perceived value and visitor satisfaction strongly influence brand switching behaviour as intermediate variables. Visitor variety seeking and competitor attraction are positively related to visitor brand switching behaviour, whereas the other five factors are negatively related to visitor brand switching behaviour.
Over Egging the Pudding? Comments on Ojala and Thorpe

In a recent paper in ISCJ, Ojala and Thorpe offered a culturally based observation that questions the role and application of coaching in action sports. Their critique is focused on the action sport of snowboarding which, despite its' comparatively recent inclusion in the Olympics, retains a different, almost collaborative rather than competitive culture more akin to other action sports such as skateboarding and surfing. Ojala and Thorpe then present Problem Based Learning (PBL) as the solution to many of these perceived ills, describing the positive characteristics of the approach and promoting its cultural fit with action sport environments and performers. In this paper we offer a different perspective, which questions the veracity of the data presented and the unquestioningly positive view of PBL as the answer. Our alternative, data driven perspective suggests that action sport athletes are increasingly positive, or even desirous of good coaching, of which PBL is a possible approach; suitable for some
Fuzzy Model Based Reliable Static Output Feedback \mathscr{H}_{\infty Control of Nonlinear Hyperbolic PDE Systems
Venue: IEEE Transactions on Fuzzy Systems

This paper investigates the problem of output feedback robust H control for a class of nonlinear spatially distributed systems described by first order hyperbolic partial differential equations (PDEs) with Markovian jumping actuator faults. The nonlinear hyperbolic PDE systems are first expressed by Takagi Sugeno fuzzy models with parameter uncertainties, and then, the objective is to design a reliable distributed fuzzy static output feedback controller guaranteeing the stochastic exponential stability of the resulting closed loop system with certain H disturbance attenuation performance. Based on a Markovian Lyapunov functional combined with some matrix inequality convexification techniques, two approaches are developed for reliable fuzzy static output feedback controller design of the underlying fuzzy PDE systems. It is shown that the controller gains can be obtained by solving a set of finite linear matrix inequalities based on the finite difference method in space. Finally, two examples are presented to demonstrate the effectiveness of the proposed methods.
Boundary observer design for hyperbolic PDE ODE cascade systems
Venue: Autom.

The paper presents an observer design for a class of hyperbolic PDE ODE cascade systems with a boundary measurement. The cascade systems consist of coupled PDEs, featuring one rightward and one leftward convecting first order transport PDEs, and a set of ODEs, which enter the PDEs through the left boundary of the systems. The design, which is based on the Volterra integral transformation, relies only on a single sensor at the right boundary of the system. The observer consists of a copy of the plant plus output injection terms both in the PDEs and the ODEs. The observer is constructed in a collocated setup, which means both sensing and actuation are located at the same boundary. The observer gains are computed analytically by solving Goursat type PDEs in terms of Bessel function of the first kind. The observer design is tested against a field scale flow loop test experiment in Stavanger by Statoil Oil Company. The results show that the observer converges to the actual values and that the design can be used as a process monitoring tool in oil well drilling.
A PDE approach to a 2 dimensional matching problem

We prove asymptotic results for 2 dimensional random matching problems. In particular, we obtain the leading term in the asymptotic expansion of the expected quadratic transportation cost for empirical measures of two samples of independent uniform random variables in the square. Our technique is based on a rigorous formulation of the challenging PDE ansatz by Caracciolo et al. ( 2014) that linearizes the Monge Ampere equation.
Risk Averse PDE Constrained Optimization Using the Conditional Value At Risk
Venue: SIAM J. Optim.

Uncertainty is inevitable when solving science and engineering application problems. In the face of uncertainty, it is essential to determine robust and risk averse solutions. In this work, we consider a class of PDE constrained optimization problems in which the PDE coefficients and inputs may be uncertain. We introduce two approximations for minimizing the conditional value at risk (CVaR) for such PDE constrained optimization problems. These approximations are based on the primal and dual formulations of CVaR. For the primal problem, we introduce a smooth approximation of CVaR in order to utilize derivative based optimization algorithms and to take advantage of the convergence properties of quadrature based discretizations. For this smoothed CVaR, we prove differentiability as well as consistency of our approximation. For the dual problem, we regularize the inner maximization problem, rigorously derive optimality conditions, and demonstrate the consistency of our approximation. Furthermore, we propose a.
Does Digital Video Advertising Increase Population Level Reach of Multimedia Campaigns? Evidence From the 2013 Tips From Former Smokers Campaign
Venue: Journal of medical Internet research

Federal and state public health agencies in the United States are increasingly using digital advertising and social media to promote messages from broader multimedia campaigns. However, little evidence exists on population level campaign awareness and relative cost efficiencies of digital advertising in the context of a comprehensive public health education campaign.  Our objective was to compare the impact of increased doses of digital video and television advertising from the 2013 Tips From Former Smokers (Tips) campaign on overall campaign awareness at the population level. We also compared the relative cost efficiencies across these media platforms.  We used data from a large national online survey of approximately 15,000 US smokers conducted in 2013 immediately after the conclusion of the 2013 Tips campaign. These data were used to compare the effects of variation in media dose of digital video and television advertising on population level awareness of the Tips campaign. We implemented higher doses of digital video among selected media markets and randomly selected other markets to receive similar higher doses of television ads. Multivariate logistic regressions estimated the odds of overall campaign awareness via digital or television format as a function of higher dose media in each market area. All statistical tests used the .05 threshold for statistical significance and the .10 level for marginal nonsignificance. We used adjusted advertising costs for the additional doses of digital and television advertising to compare the cost efficiencies of digital and television advertising on the basis of costs per percentage point of population awareness generated.  Higher dose digital video advertising was associated with 94% increased odds of awareness of any ad online relative to standard dose markets (P<.001) Higher dose digital advertising was associated with a marginally nonsignificant increase (46% in overall campaign awareness regardless of media format (P=.09) Higher dose television advertising was associated with 81% increased odds of overall ad awareness regardless of media format (P<.001) Increased doses of television advertising were also associated with significantly higher odds of awareness of any ad on television (P<.001) and online (P=.04) The adjusted cost of each additional percentage point of population level reach generated by higher doses of advertising was approximately US $440,000 for digital advertising and US $1 million for television advertising.  Television advertising generated relatively higher levels of overall campaign awareness. However, digital video was relatively more cost efficient for generating awareness. These results suggest that digital video may be used as a cost efficient complement to traditional advertising modes (eg, television) but digital video should not replace television given the relatively smaller audience size of digital video viewers.
Clonal expansion of CD4( cytotoxic T lymphocytes in patients with IgG4 related disease.
Venue: The Journal of allergy and clinical immunology

IgG4 related disease (IgG4 RD) is a systemic condition of unknown cause characterized by highly fibrotic lesions with dense lymphoplasmacytic infiltrates. CD4( T cells constitute the major inflammatory cell population in IgG4 RD lesions.  We used an unbiased approach to characterize CD4( T cell subsets in patients with IgG4 RD based on their clonal expansion and ability to infiltrate affected tissue sites.  We used flow cytometry to identify CD4( effector/memory T cells in a cohort of 101 patients with IgG4 RD. These expanded cells were characterized by means of gene expression analysis and flow cytometry. Next generation sequencing of the T cell receptor b chain gene was performed on CD4()SLAMF7( cytotoxic T lymphocytes (CTLs) and CD4()GATA3( TH2 cells in a subset of patients to identify their clonality. Tissue infiltration by specific T cells was examined by using quantitative multicolor imaging. RESULTS CD4( effector/memory T cells with a cytolytic phenotype were expanded in patients with IgG4 RD. Next generation sequencing revealed prominent clonal expansions of these CD4( CTLs but not CD4()GATA3( memory TH2 cells in patients with IgG4 RD. The dominant T cells infiltrating a range of inflamed IgG4 RD tissue sites were clonally expanded CD4( CTLs that expressed SLAMF7, granzyme A, IL 1b, and TGF b1. Clinical remission induced by rituximab mediated B cell depletion was associated with a reduction in numbers of disease associated CD4( CTLs.  RD is prominently linked to clonally expanded IL 1b and TGF b1 secreting CD4( CTLs in both peripheral blood and inflammatory tissue lesions. These active, terminally differentiated, cytokine secreting effector CD4( T cells are now linked to a human disease characterized by chronic inflammation and fibrosis.
Educacion a distancia y evaluacion del aprendizaje

This article presents the results of a non exhaustive review of different authors' opinions, referred to learning evaluation in Distance Education, mainly online evaluation. Definitions of evaluation and the importance of its purposes, formatives and summatives, are considered. From the affirmation that in any instructional modality it is necessary a close relation among teaching, learning, and evaluation, some definitions are presented to facilitate the understanding of those processes online. More attention is paid to online evaluation characteristics, and suggestions for designing and marking evaluation assignments on line are taken into account. Aspects related to automatization, and tools for evaluation are included.
Desarrollos recientes sobre Habilidades Digitales y Comprension Lectora en Entornos Digitales Advances in Digital Abilities and Online Reading Comprehension

Los estudiantes nacidos en la era de las tecnologias digitales (los "nativos digitales" pueden tener mayor acceso a las mismas, pero la idea de que aprenden mas y mejor solo por implementar dispositivos de aprendizaje con la ultima tecnologia disponible es simplista y no se corresponderia con la evidencia. El uso para objetivos academicos requeriria habilidades digitales. Estas aluden no solo al dominio tecnico y operacional, sino sobre todo al dominio cognitivo, como habilidades de busqueda y navegacion, integracion, evaluacion de fuentes, y de uso estrategico de la informacion. Se han investigado mediante cuestionarios, o tareas informatizadas que plantean escenarios de busqueda y comprension de materiales. Entre las medidas de auto informe, se ha avanzado en disenar cuestionarios con propiedades psicometricas conocidas. Entre las segundas, se han creado entornos de tarea que remedan la situacion en Internet (sitios, paginas. y se toman indicadores de precision en las tareas, tiempos, y caminos de navegacion. Si bien las investigaciones todavia son escasas, apuntan a una relacion entre habilidades digitales y comprension lectora, y cuando se investiga en tareas en ambientes controlados, la definicion de las habilidades digitales se solapa con la competencia lectora digital (p.ej. en las pruebas PISA) Futuras investigaciones deben pormenorizar en las relaciones entre distintos aspectos de las habilidades digitales, en relacion a los resultados en comprension lectora u otros objetivos de aprendizaje, para poder caracterizar estrategias de intervencion educativa.
Adventure Tourism Poses New Challenges for the International Association of Antarctica Tour Operators (IAATO)

The chapter focuses on how the IAATO (International Association of Antarctica Tour Operators) member organization, which aims to advocate and promote the practice of safe and environmentally responsible travel to the Antarctic has dealt over the last 25 years with visitor guidance and the management of the tour operators. It also discusses how the apparent expansion of new activities, such as adventure tourism proposals, carried out in Antarctica, pose new challenges to both Treaty Parties and IAATO, keeping in mind aspects of risk management and environmental considerations. We aim to analyze IAATO's strategies towards these new activities.
Towards a tipping point? Exploring the capacity to self regulate Antarctic tourism using agent based modelling

Antarctica attracts tourists who want to explore its unique nature and landscapes. Antarctic tourism has rapidly grown since 1991 and is currently picking up again after the recent global economic downturn. Tourism activities are subject to the rules of the Antarctic Treaty System (ATS) and the decisions made by the Antarctic Treaty Consultative Parties (ATCPs) but within this context, the industry has considerable freedom to self organise. The industry is self regulated by a voluntary member based group, the International Association of Antarctica Tour Operators (IAATO) Researchers and policy makers express concern about IAATO's ability to deal with further tourism development and the environmental consequences. This study applies a new approach to understand what affects self regulation, consisting of a literature review and agent based modelling (ABM) The review identifies four challenges for self regulation: operator commitment, tourism growth, operator diversification, and accidents. The ABM simulations help conceptualise the complex concepts and theories surrounding self regulation. Self regulation is measured by the capacity of the simulated self regulatory system to maintain a majority membership at the end of 20 years. The model suggests that a number of the challenges are nonlinear and have tipping points. This approach provides insights that industry officials and policy makers can use to proactively regulate Antarctic tourism.
Reflexions sur l'interet du toucher therapeutique en psychomotricite dans l'expression de troubles du comportement de la personne agee demente

La demence atteint le sujet dans sa globalite. Les troubles engendres ont de fortes repercussions sur l'autonomie, l'identite du sujet et participent activement a la venue de troubles du comportement. Ce memoire propose une lecture psychomotrice des troubles lies a la maladie en proposant comme element de reponse le toucher therapeutique. Il s'agit d'une reflexion theorique et clinique sur l'interet du toucher therapeutique afin d'apaiser les troubles du comportement au travers des mediations bains et de seances en Snoezelen.
Ajoutons de la vie aux sens pour redonner sens a la vie prise en charge psychomotrice de la Maladie d'Alzheimer par l'approche SNOEZELEN

Veritable problematique de Sante Publique, les pathologies dementielles touchent en France plus d'un million de personnes. La maladie d'Alzheimer entraine une multitude de pertes et de remaniements auxquels le malade et son entourage vont devoir faire face. L'accompagnement de la demence se veut pense et adapte. La maladie d'Alzheimer met notamment a mal l'identite psychocorporelle de la personne agee. Ses possibilites de communication se voient reduites, minimisant ainsi les echanges avec son environnement. Au travers de ce memoire nous developperons comment le psychomotricien peut apporter un cadre contenant a la personne demente de facon a favoriser la communication non verbale et la relation. Mais egalement par quels moyens il peut contribuer au sentiment d'unite et de detente psychocorporelle au travers d'un accompagnement porte autour des sens, en Snoezelen.
Sand transport processes in the surf and swash zones

Long term predictions of beach morphology using numerical models contribute to cost effective coastal protection strategies. The physics of sand transport in the wave breaking region and the swash zone are not fully understood, leading to poor predictive capability of existing sand transport models for these regions. The aim of this thesis is therefore to examine the sand transport physics in the breaking and swash zones, through controlled experiments in a large scale wave flume. The experiments involved high resolution measurements of fluid and sand transport dynamics under energetic breaking waves over a medium sand bed, using novel acoustic and conductivity based measurement instruments. Hydrodynamic measurements in the breaking region show that wave breaking generated turbulence invades the wave bottom boundary layer. This enhances suspended sediment pick up rates (by an order of magnitude) in the breaking region relative to the wave shoaling region. Sand transport is composed by generally onshore directed bedload and offshore directed suspended transport. Suspended transport is dominated by current related advection at outer flow elevations; the wave related transport is generally confined to the wave bottom boundary layer. The cross shore distribution of the transport components is related to the breaker bar morphologic evolution and to cross shore grain size sorting. Measurements of sheet flow processes in the swash zone using a novel conductivity based measurement instrument reveal substantial intra swash bed level changes (of up to 1 cm) due to the strong cross shore non uniformity of the flow and sediment transport. In addition, bore turbulence and cross shore sediment advection lead to an increase in the swash zone sheet flow layer thickness.
La Geomorphologie De La Plage De Haouzia (Littoral Atlantique Marocain) Origine Et Mise En Place De Ses Sediments Actuels

Geomorphological study of the range of Haouzia shows that the latter is more or less homogeneous but influenced by the mouth of the Oued Oum Rbia to the No. Spatio temporal variation and the heterogeneity and beach profiles are related to the morphology of the beach and the coastal dynamics. Its sediments enrich carbonate because they feed Cretaceous land upstream of the mouth and the Quaternary calcarenites outcropping in the submerged area of the beach. Heavy minerals come from land metamorphic (Boulaouane) and magmatic (Sidi Said Maachou) through the Oued Oum Rbia and then taken over by the littoral drift. The weight content of heavy minerals is a good indicator of the direction of the transfer (no SW) of these minerals and sediment. The relative heterogeneity of sediments is favoured by the mouth of the Oued Oum Rbia allowing mixing of continental and marine sediments. It is all the more pronounced to the SW (breaking the waves) and winter (storms) Sediment (coarse and fine) are generally ranked especially in part SW (quiet environment despite the onslaught of the waves) and dune (sorting by the wind) Haouzia beach is under anthropogenic pressure to order, essentially, tourist who is behind the deforestation of the forest of Hameed and therefore the destabilization of the environment (including the beach) Urgent action is needed to protect this beach playing an important socio economic role in the region.