Miracle-dz/UniFAR-FTUs huggingface dataset:
Effect of screening by external charges on the atomic orbitals and photoinduced processes within the Hartree-Fock-Slater atom

X-ray free-electron lasers (XFELs) are a promising tool for the structural determination of macro- and biomolecules, using coherent diffractive imaging. During imaging, the intense XFEL pulses also efficiently ionize the molecules, so it is important to estimate how the charged environment within the molecule modifies atomic properties, in comparison to the case of an isolated atom. Here, we apply the XATOM toolkit to obtain predictions on the modified ionization thresholds and rates of some photoinduced processes in carbon. The Hartree-Fock-Slater model is extended to include the electron screening and ion correlation effects, induced by external charges. With this extended model, we obtain predictions on modifications of orbital energies, photoabsorption cross sections, Auger decay rates, fluorescence emission rates, and atomic scattering factors as a function of the density and temperature of the surrounding charges. Our results have implications for the studies of dynamics within XFEL irradiated samples, in particular for those dedicated to coherent diffraction imaging.
Breaking Them in or Eliciting Their Best? Reframing Socialization around Newcomers’ Authentic Self-expression

Socialization theory has focused on enculturating new employees such that they develop pride in their new organization and internalize its values. We draw on authenticity research to theorize that the initial stage of socialization leads to more effective employment relationships when it instead primarily encourages newcomers to express their personal identities. In a field experiment carried out in a large business process outsourcing company in India, we found that initial socialization focused on personal identity (emphasizing newcomers’ authentic best selves) led to greater customer satisfaction and employee retention after six months than socialization that focused on organizational identity (emphasizing the pride to be gained from organizational affiliation) or the organization’s traditional approach, which focused primarily on skills training. To confirm causation and explore the mechanisms underlying the effects, we replicated the results in a laboratory experiment in a U.S. university. We found that individuals working temporarily as part of a research team were more engaged and satisfied with their work, performed their tasks more effectively, and were less likely to quit when initial socialization focused on personal identity rather than on organizational identity or a control condition. In addition, authentic self-expression mediated these relationships. We call for a new direction in socialization theory that examines how both organizations and employees can benefit by emphasizing newcomers’ authentic best selves.
In vitro antimicrobial activity of aerial parts extracts of Aconitum heterophyllum Wall. ex Royle

Nidhi Srivastava 1 , Vikas Sharma 1 , Kriti Saraf 1 , Anoop Kumar Dobriyal 2 , Barkha Kamal 1 and Vikash Singh Jadon 1 * Plant Molecular Biology Laboratory, Department of Biotechnology, Sardar Bhagwan Singh (P.G.) Institute of Biomedical Sciences & Research Balawala, Dehra Dun-248 161, Uttarakhand, India Department of Zoology & Biotechnology, H.N.B.Garhwal University, Campus Pauri, Pauri Garhwal-246 001, Uttarakhand
The ESO Nearby Abell Cluster Survey. XIII. The orbits of the different types of galaxies in rich clusters

We study the orbits of the various types of galaxies observed in the ESO Nearby Abell Cluster Survey. We combine the observed kinematics and projected distributions of galaxies of various types with an estimate of the mass density profile of the ensemble cluster to derive velocity-anisotropy profiles. Galaxies within and outside substructures are considered separately. Among the galaxies outside substructures we distinguish four classes, on the basis of their projected phase-space distributions. These classes are: the brightest ellipticals (with MR ≤− 22 + 5l ogh), the other ellipticals together with the S0's, the early- type spirals (Sa-Sb), and the late-type spirals and irregulars (Sbc-Irr) together with the emission-line galaxies (except those of early morphology). The mass profile was determined from the distribution and kinematics of the early-type (i.e. elliptical and S0) galaxies outside substructures; the latter were assumed to be on isotropic orbits, which is supported by the shape of their velocity distribution. The projected distribution and kinematics of the galaxies of other types are used to search for equilibrium solutions in the gravitational potential derived from the early-type galaxies. We apply the method described by Binney & Mamon as implemented by Solanes & Salvador-Sole to derive, to our knowledge for the first time, the velocity anisotropy profiles of all galaxy classes individually (except, of course, the early-type class). We check the validity of the solutions for β � (r) ≡ (� v 2 � (r)/� v 2 � (r)) 1/2 ,w herev 2 � (r )a ndv 2 � (r) are the mean squared components of the radial and tangential velocity, respectively, by comparing the observed and predicted velocity-dispersion profiles. For the brightest ellipticals we are not able to construct equilibrium solutions. This is most likely the result of the formation history and the special location of these galaxies at the centres of their clusters. For both the early and the late spirals, as well as for the galaxies in substructures, the data allow equilibrium solutions. The data for the early spirals are consistent with isotropic orbits (β � (r) ≡ 1), although there is an apparent radial anisotropy at � 0.45r200. For the late spirals an equilibrium solution with isotropic orbits is rejected by the data at the >99% confidence level. While β � (r) ≈ 1 within 0.7r200, β � increases linearly with radius to a value � 1.8 at 1.5r200. Taken at face value, the data for the galaxies in substructures indicate that isotropic solutions are not acceptable, and tangential orbits are indicated. Even though the details of the tangential anisotropy remain to be determined, the general conclusion appears robust. We briefly discuss the possible implications of these velocity-anisotropy profiles for current ideas of the evolution and transformation of galaxies in clusters.
Discourse markers in EFL setting: Perceptions of Turkish EFL teachers

Discourse markers are seen as one of the fundamental units in spoken discourse due to their frequent and multifunctional use by native speakers of English. Discourse markers also have significance in foreign language instruction. In this respect, this study explored the perceptions of Turkish EFL teachers towards the use of discourse markers in terms of the pragmatic and pedagogic value and their representations in EFL classrooms. To this end, a questionnaire was administered to 104 EFL instructors working at seven different state universities in Turkey. The quantitative analyses of the data yielded that the teachers had positive perceptions towards discourse markers by finding them necessary for improving pragmatic competence of language learners. They also stated that discourse markers had teaching value so they highlighted them in their instruction. Moreover, the study also discussed the integration of discourse markers into language instruction. The study had some implications for further discussion over the issue of discourse markers in terms of investigating teacher talk, real classroom practices during language teaching instruction and teaching materials. Key words: Discourse markers, English as a Foreign Language (EFL) teachers, spoken discourse.
Genetic control of protein, oil and fatty acids content under partial drought stress and late sowing conditions in sunflower (Helianthus annuus)

1 Laboratoire des Interactions Plantes Micro-organismes, UMR CNRS-INRA 2594/441, Chemin de Borde-Rouge Auzeville -BP 5262731326 Castanet Tolosan, France. 2 Agronomy and Plant Breeding Department, Faculty of Agriculture, University of Tehran, Karaj, Iran. 3 INP-ENSAT, IFR 40, Laboratoire de Symbiose et Pathologie des Plantes (SP2), 18 Chemin de Borde-Rouge, F-31326 Castanet Tolosan, France. 4 UMR 1054 INRA/EIP Laboratoire d’Agrophysiologie, Ecole d’Ingénieurs de Purpan. 75, Voie du TOEC, BP 5761131076 Toulouse Cedex 3, France. 5 INP-ENSAT, INRA, UMR 1248, Agrosystèmes et Développement Territorial, 31326 Castanet Tolosan, France.
Mapping the b -values along the Longmenshan fault zone before and after the 12 May 2008, Wenchuan, China, M S 8.0 earthquake

Abstract. The b-value in the Gutenberg-Richter frequency-magnitude distribution, which is assumed to be related to stress heterogeneity or asperities, was mapped along the Longmenshan fault zone which accommodated the 12 May 2008, Wenchuan, MS 8.0 earthquake. Spatial distributions of b-value before and after the Wenchuan earthquake, respectively, were compared with the slip distribution of the mainshock. It is shown that the mainshock rupture nucleated near to, but not within, the high-stress (low b-value) asperity in the south part of the Longmenshan fault, propagating north-eastward to the relatively low stress (high b-value) region. Due to the significant difference between the rupture process results from different sources, the comparison between slip distribution and pre-seismic b-value distribution leads to only conclusion of the rule-of-thumb. The temporal change of b-value before the mainshock shows a weak trend of decreasing, being hard to be used as an indicator of the approaching of the mainshock. Distribution of b-values for the aftershocks relates the termination of the mainshock rupture to the harder patch along the Longmenshan fault to the north.
Estimation of physical activity intensity using triaxial ActiGraph accelerometers in youth populations: Impact of data type, attachment site, and modeling approach, including adaptations of the Sojourn method for varied use in youth

Adequate physical activity (PA) in youth is essential for shortand long-term health. However, it is difficult to perform large-scale assessments of youth PA levels and be assured of accurate results. Recent developments in accelerometer-based PA monitoring for adults (e.g. the Sojourn method) have enhanced the accuracy attainable by those devices, but the same has not been accomplished for youth. Purpose: The purpose of this study was to develop and cross-validate versions of the established Sojourn method that can be used for research with youth. Methods: The study involved two phases. In Phase 1, existing ActiGraph monitor data from 54 youth were used to train artificial neural networks that were implanted into customized shells of the existing Sojourn method, and these were compared against indirect calorimetry for validation. In Phase 2, a separate cross validation analysis was conducted on an independent sample of 21 youth that wore ActiGraph monitors during a simulated free-living protocol. This phase utilized direct observation as the criterion measure of activity intensity and consisted of one hour of self-directed activity, with limited direction provided outside of the requirement that at least 5 activities be performed within the hour. In both phases, standard processing methods were included to compare the relative utility of the new methods to the established and currently available techniques for both hip and wrist ActiGraph data. Phase 2 additionally compared non-dominant and dominant wrist attachment. Tests of classification accuracy (confusion matrices, sensitivity and specificity, percent accuracy, and kappa statistics) were used in both phases to evaluate the methods. Results: The adapted Sojourn methods achieved accuracies ranging from
Improving the Efficiency and Effectiveness of Risk‐Based Internal Audit Engagements

The role of internal auditing in assisting with the mitigation of key risks threatening organisations has increased, not least, for example, in ensuring that engagements are performed more effectively and efficiently, and that all the key risks of organisations are addressed, but also to ensure that scarce internal audit resources are used optimally. This article describes the development of a model that can be used by internal auditors to perform this task. The model was developed from a study of the academic literature, current business practice norms, and other documentation whereafter it was tested in a practical scenario, and input from heads of internal audit departments in prominent South African organisations was obtained. The findings of the study, inter alia, support the use of the model. However, a concern is that the risk management strategy currently implemented by organisations is not mature enough for internal auditing to rely on the outcome of the risk management process, a prerequisite for the model to function optimally. A second concern is that internal auditing is reluctant to use a pure risk‐based approach when performing audit engagements and still prefers to use a control‐based approach with more emphasis placed on high risk areas.
Review on production of mussel seed

﻿Production of mussel seed requires priority attention for the expansion of mussel culture as an industry in India. Procurement of adequate seed from the wild beds even for the current experimental programmes is faced with problems. Two lines of approach have been suggested for enhancing seed production. The first approach is to harness the production of seed in nature through three ways, namely exploitation of the mussel seed settling on the stone embankments and groynes laid as an anti-sea erosion measure, enhancement of spat fall on artificially laid col lectors in the farms ; and selecting areas where the current system and other environmental factors are conducive for larval transport and settlement of the pediveliger stage in the sites where breeding reserves of adult mussel are provided. The second approach is through hatchery system. Although mussel hatcheries do not exist in Europe where world mussel production is concentrated in view of plentiful supply of natural seed, it is imperative for India to develop the hatchery technology as the natural seed availability is severely limited. While discussing the above aspects of seed production, the paper reviews the larval history of mussel and the technologies available for induced spawning and larval rearing, with particular reference to larval food and diseases.
The Impact of the Internet on Parliaments: a Legislative Studies Framework

This article proposes a framework to study the impact of the Internet on parliaments from a legislative studies perspective. This area of study has been addressed only by an Internet studies perspective and, as a consequence, we still know little about the impact of the Internet on parliamentary activity. The framework proposed in this article integrates the ‘offline’ context of each parliament (institutional factors) in the analysis of the impact of the Internet, identifying different functions played by parliament (other than just representation) and shifting the focus to the institution of parliament, rather than MPs individually considered. This is complemented by a brief exploratory analysis of the impact of the Internet in four parliaments (British, European, Portuguese and Swedish) to illustrate some of the points made.
The comparative analysis of selected psychosocial and psychopathological factors among the sexual offenders with personality disorders

INTRODUCTION: An important component in the study of sex related offences is the analysis of the effects of personality disorders and their correlation with other psychopathology. MATERIAL AND METHODS: The purpose of this paper is to evaluate and compare psychosocial and psychopathological factors characterising sexual offenders with and without the comorbid personality disorders (antisocial and not otherwise specified). The study dataset consisted of 180 court ordered psychiatric-sexuological assessments issued by forensic experts from the Mental Health Outpatient Unit between 2004 and 2012 in the 10th Military Clinic Hospital in Bydgoszcz (Poland). RESULTS: Relevant statistically significant differences have been observed between the study groups. CONCLUSIONS: 1. The study revealed strong association between the prevalence of personality disorders and the use of psychoactive substances among the perpetrators of sexual offences with antisocial personality disorder. 2. Predictive factors influencing the formation of antisocial (dissocial) personality occur in the developmental stage and relate to the family low level of social functioning and the disrupted family structure.
The Roots of the New Economy: An Institutional Perspective

The factors behind the emergence of the New Economy are still poorly understood. In this article, Pascal Petit from CEPREMAP and CNRS in France provides an institutional perspective on the developmental phases or roots of this New Economy. He analyzes the structural, institutional and organizational changes associated with the New Economy and based on these developments assesses whether an acceleration of productivity growth, the touchstone of the New Economy, is likely to occur in Europe and whether it can be sustained in the United States. Petit identifies three structural factors as preconditions for the development of the New Economy: the rise in educational levels; the internationalization of economic activity; and the development and diffusion of ICTs. He argues that these preconditions have been established in developed economies and that institutional changes such as product and labour market deregulation have served as catalysts for growth. He then looks at the role of work practices and organizational relations, such as inter-firm partnerships, that build on structural and institutional changes to foster the emergence of the New Economy. Based on the fundamental changes that have already occurred, he concludes that an acceleration in productivity in Europe is likely, as is a continuation of strong productivity gains in the United States.
Process Modeling and Optimization of Resistance Welding for Thermoplastic Composites

Resistance welding is a suitable technique for joining thermoplastic composites. Like other fusion bonding processes, it involves heating, melting and cooling steps. Productivity depends on the time that passes during these steps. This is the first study that tries to increase the productivity of the process in a systematic way. The objective of the present study is to determine the optimum set of process parameters to minimize the processing time. In order to ensure that the resulting joint satisfied the requirements of quality, the relationship between process variables and quality of the welded joint was established through process modeling. First, a one-dimensional transient heat transfer analysis was carried out using a finite difference method to find the temperature profiles across the thickness of the welding stack. Then, the heat transfer analysis was coupled with a degradation kinetics model in order to determine whether the resulting part has undergone excessive thermal degradation, or not. Finally, a bonding model adapted to the resistance welding process was used to determine the degree of bonding between the laminates. The process model was eventually combined with an optimization algorithm to minimize the processing time without violating the quality requirements. The algorithm was based on a search method called Nelder–Mead. Finally, optimum process parameters were obtained for different thicknesses of APC-2 laminates.
Further, some groups, such as Muslim immigrants in Europe, experience a high level of stigmatisation and discrimination, both by members of the national majority and other minority groups

Multiethnic schools provide opportunities for interethnic contact and the development of positive interethnic relations. Yet, some children develop such relations more easily than others. In the present study, we were interested in patterns of interand intraethnic friendships and the relative likeability of certain ethnic groups in ethnically heterogeneous schools. The sample comprised 842 early adolescents (Mage = 11.50 years, SDage = .71; 53% male) from 64 countries of origin who attend multiethnic schools in Southwest Germany. In line with our expectations, interethnic friendships are to a large extent formed on the basis of cultural distance, with more friendships occurring between groups that are culturally more similar. Further, the likeability of children from different ethnic groups follows the so-called ethnic hierarchy, a rank order of different ethnic groups, which is based on perceived similarity with the mainstream group. Interventions to improve early adolescents’ interethnic friendships should aim to reduce perceptions of cultural distance and ethnic hierarchies in intergroup settings.
Experimental manipulation of the cost of thermal acclimation in Drosophila melanogaster

Abstract Acclimation to environmental change can impose costs on organisms. One potential cost is the energy and nutrients consumed by a physiological response, e.g. the resources required for expression of heat-shock proteins (Hsps). We examined the significance of this cost by genetic manipulation. We isolated four isofemale lines from a Drosophila melanogaster population previously transformed with a hsp70-lacZ fusion. Lines were similar in Hsp70 expression but differed in β-galactosidase expression upon heat shock, and replicates of each line were reared on a high quantity and low quantity medium. Multiple heat shock reduced survival in all lines, but did not increase developmental time. Variation in expression of β-galactosidase among lines, which differed more than 4-fold in response to heat treatment, was unrelated to the decreased survival. Thus the predicted effects of β-galactosidase expression on components of fitness were not evident. The superimposition of costs upon those normal for acclimation had no effect on mortality or developmental time, even when resources were especially limiting.
Reacquiring Consumer Waste: Treasure in Our Trash?

The reacquisition of discarded objects reshapes linear consumption into a cycle, simultaneously reducing new resources consumed and reducing consumer waste. In this article, the authors examine sustainable consumption behavior in the context of the annual inorganic collection in Auckland, New Zealand. Depth interviews and observations revealed that the recognition that treasure can be found in trash was pivotal in motivating collectors to collect for themselves and others, prolonging the useful life of objects. Contrary to the “future-for-others” framing of sustainable consumption that is often evident in public discourse, collectors initially had a “present-for-us” perspective. However, being confronted with excessive waste made this negative consequence of consumerism more proximate, motivating subsequent sustainable consumption behavior. The authors suggest how public policy makers can take advantage of the finding that the desire to consume sustainably is both a motivator and a consequence of sustainable consumption.
High-velocity interstellar clouds towards the M 15 globular cluster - I. Low resolution optical data

We present low resolution interstellar spectra of the CaII K and NaI D lines towards 12 stars in the M 15 globular cluster. These sightlines are used to study the small scale structure of the interstellar medium, over scales of a few arcseconds to a few arcminutes. A high-velocity cloud is detected in the CaII and NaIlines at a LSR velocity of approximately . Tentative velocity and equivalent width variations are observed on scales of a few arcseconds; however, higher resolution data are necessary to quantify the magnitude of these variations. We discuss these observations and their importance for future studies of this high velocity gas at high spectral resolution.