nils-herrmann/clean_scirepeval huggingface dataset:
Theoretical Description of Hydrogen Atom Scattering off Noble Metals

I have constructed a full dimensional potential energy surface (PES) for a H atom interacting with a Au(111) surface by fitting the analytic form of the Effective Medium Theory to density functional theory (DFT) energies. The fit used energies of the H Au system with the Au atoms at their relaxed lattice positions as well as configurations with the Au atoms displaced from these positions. The procedure provides an accurate treatment for displacements of Au atoms and compares well to DFT energies for scattering of H atoms obtained from ab initio molecular dynamics (AIMD) In adiabatic molecular dynamics simulation, the PES is capable of reproducing the energy loss behavior of AIMD. The effective medium theory also provides the background electron density which makes it possible to treat the excitation of energetically low lying electron hole pairs self consistently in the frame of local density friction approximation. I have tested various incidence conditions for H scattering from Au(111) and find that in all cases, the energy loss by electron hole pair excitation is by far the most efficient pathway and dominates the scattering behavior and influences the adsorption mechanism significantly. Comparison to experiment confirms that energy loss to electron hole pairs is the dominant energy dissipation pathway. Molecular dynamics simulations including nonadiabatic effects for multiple incidence conditions are in very good agreement with experiment. Furthermore, the theory offers an explanation for the apparent lack of an isotope effect observed experimentally. I consider the effect of changes in the electron density and the inclusion of surface reconstruction and find the results are not much altered. For molecular dynamics simulations and fitting, I used a self written program package to which I contributed substantially.
Ischaemic conditioning and targeting reperfusion injury: a 30 year voyage of discovery
Venue: Basic Research in Cardiology

To commemorate the auspicious occasion of the 30th anniversary of IPC, leading pioneers in the field of cardioprotection gathered in Barcelona in May 2016 to review and discuss the history of IPC, its evolution to IPost and RIC, myocardial reperfusion injury as a therapeutic target, and future targets and strategies for cardioprotection. This article provides an overview of the major topics discussed at this special meeting and underscores the huge importance and impact, the discovery of IPC has made in the field of cardiovascular research.
Neural network sliding mode control of permanent magnet synchronous linear motor
Venue: CCDC 2016

Direct driving system consisted of permanent magnet synchronous linear motor (PMSLM) eliminate the power transmission devices so that drastically reduce the gearing range. Compared with a traditional indirect transmission system composed of rotary motor and ball screw, it has a significant advantage over the traditional indirect transmission on dynamic precision, rapidity and stability  According to the characteristics of permanent magnet linear synchronous motor with strong coupling and interference, the sliding mode control is adopted in the basic control algorithm in this article. As a result of the obvious chattering phenomenon in traditional sliding mode controller, the neural network control is adopted to control the sliding mode vector. The sliding mode surface is established by thrust and flux integral functions. The sliding mode vector is set as input of RBF neural network and ud, uq are set as the outputs of RBF neural network. In order to make the system reach the sliding surface, adaptive algorithm is adopted according to the accessible condition to adjust the connection weights of RBF neural network online. Compared with the general neural network control, the initial value of connection weights can be set arbitrary in this paper. Simulation results demonstrate that the system designed in this paper can effectively overcome the instability caused by load disturbance and system parameter change and has good adaptability and robustness.
Neural network sliding mode control of permanent magnet synchronous linear motor
Venue: 2016 Chinese Control and Decision Conference (CCDC)

Direct driving system consisted of permanent magnet synchronous linear motor (PMSLM) eliminate the power transmission devices so that drastically reduce the gearing range. Compared with a traditional indirect transmission system composed of rotary motor and ball screw, it has a significant advantage over the traditional indirect transmission on dynamic precision, rapidity and stability  According to the characteristics of permanent magnet linear synchronous motor with strong coupling and interference, the sliding mode control is adopted in the basic control algorithm in this article. As a result of the obvious chattering phenomenon in traditional sliding mode controller, the neural network control is adopted to control the sliding mode vector. The sliding mode surface is established by thrust and flux integral functions. The sliding mode vector is set as input of RBF neural network and ud, uq are set as the outputs of RBF neural network. In order to make the system reach the sliding surface, adaptive algorithm is adopted according to the accessible condition to adjust the connection weights of RBF neural network online. Compared with the general neural network control, the initial value of connection weights can be set arbitrary in this paper. Simulation results demonstrate that the system designed in this paper can effectively overcome the instability caused by load disturbance and system parameter change and has good adaptability and robustness.
Predicting the aquatic toxicity mode of action using logistic regression and linear discriminant analysis
Venue: SAR and QSAR in environmental research

The paper highlights the use of the logistic regression (LR) method in the construction of acceptable statistically significant, robust and predictive models for the classification of chemicals according to their aquatic toxic modes of action. Essentials accounting for a reliable model were all considered carefully. The model predictors were selected by stepwise forward discriminant analysis (LDA) from a combined pool of experimental data and chemical structure based descriptors calculated by the CODESSA and DRAGON software packages. Model predictive ability was validated both internally and externally. The applicability domain was checked by the leverage approach to verify prediction reliability. The obtained models are simple and easy to interpret. In general, LR performs much better than LDA and seems to be more attractive for the prediction of the more toxic compounds, i.e. compounds that exhibit excess toxicity versus non polar narcotic compounds and more reactive compounds versus less reactive compounds. In addition, model fit and regression diagnostics was done through the influence plot which reflects the hat values, studentized residuals, and Cook's distance statistics of each sample. Overdispersion was also checked for the LR model. The relationships between the descriptors and the aquatic toxic behaviour of compounds are also discussed.
Exploring dynamic property of traffic flow time series in multi states based on complex networks: Phase space reconstruction versus visibility graph

A new method based on complex network theory is proposed to analyze traffic flow time series in different states. We use the data collected from loop detectors on freeway to establish traffic flow model and classify the flow into three states based on K means method. We then introduced two widely used methods to convert time series into networks: phase space reconstruction and visibility graph. Furthermore, in phase space reconstruction, we discuss how to determine delay time constant and embedding dimension and how to select optimal critical threshold in terms of cumulative degree distribution. In the visibility graph, we design a method to construct network from multi variables time series based on logical OR. Finally, we study and compare the statistic features of the networks converted from original traffic time series in three states based on phase space and visibility by using the degree distribution, network structure, correlation of the cluster coefficient to betweenness and degree degree correlation.
A Stylistic Analysis of Complexity in William Faulkner's "A Rose for Emily"

Applying a stylistic analysis on certain texts refers to the identification of patterns of usage in writing. However, such an analysis is not restricted just to the description of the formal characteristics of texts, but it also tries to elucidate their functional importance for the interpretation of the text. This paper highlights complexity as a hallmark of a stylistic analysis in A Rose for Emily a short story by William Faulkner (1897 1962) The analysis is done by adopting Halliday's (1985) approach to analyzing complexity in sentence structure; and Lauer, et al's (2008) approach to analyzing narrative from a macro perspective in relation to the story acts. The analysis rests upon the assumption that since form conveys meaning, Faulkner's multilayer usage of complexity is extremely functional. This paper tries also to detect and prove that stylistic complexity is manipulated to convey the main themes, events, and successfully leads to identify the distinctive structure of this story.  Style, Stylistic Complexity, Hypotactic, Paratactic,
Free Trade and Employment in the ASEAN: From Theory to Empirical

The issue of free trade and employment has been aconcerned for many countries for a long time. It seems that there exists a tradeoff between them. This paper looks back at the theories from the classical economics and discusses the role of free trade in economics. It also discusses the relationship between free trade and a nation's wealth, and the problems of free trade we face today. The theory is not challenged in the paper; however, the multi functional state engaged within the market for full employment is included. The statistics and data of ASEAN are utilized to explain and examine the theory. A few ways of government intervention are introduced and regulations that are detrimental to employment are also discussed.
What's Deviance Got to Do With It? Black Friday Sales, Violence and Hyper conformity

Based upon original ethnographic and interview data, this article presents an initial theorization and analysis of the violence and disorder witnessed throughout UK high streets and superstores during the 2014 Black Friday sales. While the conduct of these 'extreme shoppers' appeared deviant, this article positions such behaviour as hyper conformity to the cultural values of neoliberalism, embodying the competitive individualism, cultivation of envy and aggressive display of consumer items which characterizes Western society in late modernity. In doing so, the authors explore the concept of 'deviant leisure' using the disorder of Black Friday to pose important questions about how the underpinning social and cultural values of neoliberal consumer capitalism pervades relatively mundane leisure activities, cultivating harmful subjectivities.
Elevated peripheral cytokines characterize a subgroup of people with schizophrenia displaying poor verbal fluency and reduced Broca's area volume
Venue: Molecular Psychiatry

Previous studies on schizophrenia have detected elevated cytokines in both brain and blood, suggesting neuroinflammation may contribute to the pathophysiology in some cases. We aimed to determine the extent to which elevated peripheral cytokine messenger RNA (mRNA) expression: (1) characterizes a subgroup of people with schizophrenia and (2) shows a relationship to cognition, brain volume and/or symptoms. Forty three outpatients with schizophrenia or schizoaffective disorder and matched healthy controls were assessed for peripheral cytokine mRNAs (interleukin (IL) 1b, IL 2, IL 6, IL 8 and IL 18) intelligence quotient, memory and verbal fluency, symptom severity and cortical brain volumes integral to language (that is, Broca's and Wernicke's areas) IL 1b mRNA levels were 28% increased in schizophrenia compared with controls (t(82)=2.64, P<0.01) Using a two step clustering procedure, we identified a subgroup of people displaying relatively elevated cytokine mRNA levels (17/43 people with schizophrenia and 9/42 controls) Individuals with schizophrenia in the elevated cytokine subgroup performed significantly worse than the low cytokine subgroup on verbal fluency (F(1,40)=15.7, P<0.001) There was a 17% volume reduction of the left pars opercularis (POp) (Broca's area) in patients with elevated cytokines compared with patients with lower cytokines (F(1,29)=9.41, P=0.005) Negative linear relationships between IL 1b mRNA levels and both verbal fluency and left POp volume were found in schizophrenia. This study is among the first to link blood biomarkers of inflammation with both cognitive deficits and brain volume reductions in people with schizophrenia, supporting that those with elevated cytokines represent a neurobiologically meaningful subgroup. These findings raise the possibility that targeted anti inflammatory treatments may ameliorate cognitive and brain morphological abnormalities in some people with schizophrenia.
Multi objective optimization design for a battery pack of electric vehicle with surrogate models

In this investigation, a systematic surrogate based optimization design framework for a battery pack is presented. An air cooling battery pack equipped on electric vehicles is first designed. Finite element analysis (FEA) results of the baseline design show that global maximum stresses under x axis and y axis transient acceleration shock condition are both above the tensile limit of material. Selecting the panel and beam thickness of battery pack as design variables, with global maximum stress constraints in shock cases, a multi objective optimization problem is implemented using metamodel technique and multi objective particle swarm optimization (MOPSO) algorithm to simultaneously minimize the total mass and maximize the restrained basic frequency. It is found that 2nd order polynomial response surface (PRS) 3rd order PRS and radial basis function (RBF) are the most accurate and appropriate metamodels for restrained basic frequency, global maximum stresses under x axis and y axis shock conditions respectively. Results demonstrate that all the optimal solutions in Pareto Frontier have heavier weight and lower frequency compared with baseline design due to the restriction of global maximum stress response. Finally, two optimal schemes, "Knee Point" and "lightest weight" satisfied both of the stress constraint conditions, show great consistency with FEA results and can be selected as alternative improved schemes.
Wind turbine power curve modelling using artificial neural network

Technical improvements over the past decade have increased the size and power output capacity of wind power plants. Small increases in power performance are now financially attractive to owners. For this reason, the need for more accurate evaluations of wind turbine power curves is increasing. New investigations are underway with the main objective of improving the precision of power curve modeling. Due to the non linear relationship between the power output of a turbine and its primary and derived parameters, Artificial Neural Network (ANN) has proven to be well suited for power curve modelling. It has been shown that a multi stage modelling techniques using multilayer perceptron with two layers of neurons was able to reduce the level of both the absolute and random error in comparison with IEC methods and other newly developed modelling techniques. This newly developed ANN modeling technique also demonstrated its ability to simultaneously handle more than two parameters. Wind turbine power curves with six parameters have been modelled successfully. The choice of the six parameters is crucial and has been selected amongst more than fifty parameters tested in term of variability in differences between observed and predicted power output. Further input parameters could be added as needed.
[Current Status of Community Pharmacies: Expectations as a Health Information Hub, the Enforcement of Revised Pharmaceutical and Medical Device Act, and a New Role as Stakeholders]
Venue: Yakugaku zasshi Journal of the Pharmaceutical Society of Japan

According to the "Japan Revitalization Strategy" established in June 2013, "the government will promote better contributions of local pharmacies and pharmacists in encouraging self medication of citizens by making pharmacies the community based hub for providing information, giving advice on the proper use of non prescription drugs, etc. and offering consultation and information service concerning health" In addition, the "Demanded Function and Ideal Form of Pharmacy," published in January 2014, requested a change, from pharmacies that specialized in dispensing medicines to pharmacies that serve as whole healthcare stations, providing pharmaceutical care based on patients' medical history, including the intake of dietary supplements. The medication fee was revised in April 2014 to enhance family pharmacy services and the management of pharmaceutical care. At that time, blood testing at a registered pharmacy was officially allowed under strict regulation. Revision of the "Pharmacist Law" in June 2014 included a request to pharmacists to provide pharmaceutical advice in addition to information. For the mitigation of drug induced tragedies, the "Pharmaceutical Affairs Law" was amended to the "Pharmaceutical and Medical Device Act (PMD Act)" in November 2014, and proper use of medicines was imposed on healthcare professionals and other stakeholders. Patients were also requested to learn and understand the safety and harmful effects of medicines, and were requested to use medicines appropriately. As mentioned above, the status of pharmacies and pharmacists has dramatically changed in the past 2 years, and such changes over time are required.
Linking high performance organizational culture and talent management: satisfaction/motivation and organizational commitment as mediators

Relying on strategic human resource management and organization development systemic principles, this theory building study tested the validity of a new talent attraction and retention model which focused on the under researched effects of organizational culture and employee attitudes. The analysis was based on data gathered from two large organizations representing two different countries and industries. Structural equation modeling results ascertained that talent attraction and retention were predicted by high performance organizational culture. This effect was also found to be mediated by the employee attitudes of satisfaction/motivation and organizational commitment. More specifically, this study found talent attraction and retention to be highly associated with the extent to which the organization is perceived to have a change quality and technology driven culture, and characterized by support for creativity, open communications, effective knowledge management, and the core values of respect and integrity. This study concluded that strategically aligned and ethical high performance organizational cultures have strong effects on talent attraction and retention and are also highly conducive to the development of high commitment and motivating work systems.
La relacion entre crecimiento economico y pobreza en Mexico

E n este trabajo analizamos la relacion entre crecimiento economico y cambios en pobreza para las entidades federativas en Mexico. Primero, no se encuentra una relacion entre el crecimiento promedio anual y el cambio en pobreza alimentaria o de patrimonio a nivel estatal en el periodo 2000 2012: las ganancias del crecimiento economico no se han trasladado en reducciones en pobreza significativas. Segundo, al comparar cambios anuales por trimestre para el periodo 2005 2014 si se observa que el crecimiento economico reduce la pobreza, aunque solo para algunas entidades federativas. Esto lleva a que, a nivel nacional, haya una elasticidad unitaria de la pobreza respecto al crecimiento. Tercero, el crecimiento economico esta relacionado con mayor numero de empleos formales, pero no con mejores salarios en esos trabajos.
INVESTIGATIONS OF MECHANICAL GUIDED WAVES PROPAGATION IN PIPES REPAIRED LOCALLY BY COMPOSITE PATCHES

Mechanical guided waves are frequently used to non destructively test and/or monitor large structures, such pipes. These pipes, which are used to transport fluids, are vulnerable to structure defects, such as corrosion and crack. For mainly economic concerns (save time and cost) the areas where defects had occurred are sometimes repaired. The material used for reparation is often composites, which cause a hug attenuation of guided waves. This attenuation can limit drastically the distance of inspection (i. e. the distance between the transducer and the smallest detectable defect) The current work aims to investigate numerically, through finite element method, the influence of composite reparations on guided waves propagation. Various parameters such as the shape of the reparation and the operating frequency are studied. The final purpose of this work is to propose some recommendations on guided waves setup to ensure an efficient use of this nondestructive testing technique.
Surface modification of Fe2TiO5 nanoparticles by silane coupling agent: Synthesis and application in proton exchange composite membranes.
Venue: Journal of colloid and interface science

Modifying surfaces of nanoparticles with silane coupling agent provides a simple method to alter their surface properties and improve their dispersibility in organic solvents and polymer matrix. Fe2TiO5 nanoparticles (IT) were modified with 3 aminopropyltriethoxysilane (APTES) as novel reinforcing filler for proton exchange membranes. The main operating parameters such as reaction time (R.T) APTES/IT and triethylamine (TEA)/IT ratios have been optimized for maximum grafting efficiency. The optimum conditions for R.T, APTES/IT and TEA/IT ratios were 6h, 4 and 0.3 respectively. It was observed that the APTES/IT and TEA/IT ratios were the most significant parameters affecting the grafting percentage. Modified nanoparticles were characterized using FT IR, TGA, SEM, TEM and XRD techniques. Effects of modified nanoparticles in proton exchange membrane fuel cells (PEMFC) were evaluated. The resulting nanocomposite membranes exhibited higher proton conductivity in comparison with pristine SPPEK and SPPEK/IT membranes. This increase is attributed to connectivity of the water channels which creates more direct pathways for proton transport. Composite membrane with 3% AIT (6.46% grafting amount) showed 0.024 S cm( 1) proton conductivity at 25 degC and 149 mW cm( 2) power density (at 0.5V) at 80 degC which were about 243% and 51% respectively higher than that of pure SPPEK.
Abstracts of the 25th Annual Conference of APASL, February 20 24, 2016, Tokyo, Japan
Venue: Hepatology International

Abstracts of the 25th Annual Conference of APASL, February 20 24, 2016, Tokyo, Japans of the 25th Annual Conference of APASL, February 20 24, 2016, Tokyo, Japan Asian Pacific Association for the Study of the Liver 2016
The socio technical architecture of digital labor: Converting play into YouTube money
Venue: New Media Soc.

This article uses the case of video game commentators and examples from research to highlight implications for conceptualizing the concept of "architectures of digital labor." The concept draws attention not only to the social practices that position activities straddling labor/leisure into a commercial framework but also to the technological platforms that make that possible in a seemingly invisible fashion. The main analytical lens is that of "affordances." It is used to map how technological features designed into YouTube create a set of probable uses/meanings/practices for users while serving YouTube's business interests. The analysis is transferable to other social web platforms whose central business model focuses on user generated content (UGC)