bluuebunny/crossref_metadata_2025 huggingface dataset:
Accurate vibrational spectra via molecular tailoring approach: A case study of water clusters at MP2 level
Authors: Sahu Nityananda , Gadre Shridhar R.
Published: January 2015

In spite of the recent advents in parallel algorithms and computer hardware, high-level calculation of vibrational spectra of large molecules is still an uphill task. To overcome this, significant effort has been devoted to the development of new algorithms based on fragmentation methods. The present work provides the details of an efficient and accurate procedure for computing the vibrational spectra of large clusters employing molecular tailoring approach (MTA). The errors in the Hessian matrix elements and dipole derivatives arising due to the approximation nature of MTA are reduced by grafting the corrections from a smaller basis set. The algorithm has been tested out for obtaining vibrational spectra of neutral and charged water clusters at Møller-Plesset second order level of theory, and benchmarking them against the respective full calculation (FC) and/or experimental results. For (H2O)16 clusters, the estimated vibrational frequencies are found to differ by a maximum of 2 cm−1 with reference to the corresponding FC values. Unlike the FC, the MTA-based calculations including grafting procedure can be performed on a limited hardware, yet take a fraction of the FC time. The present methodology, thus, opens a possibility of the accurate estimation of the vibrational spectra of large molecular systems, which is otherwise impossible or formidable.
An analysis of hydrated proton diffusion in ab initio molecular dynamics
Authors: Tse Ying-Lung Steve , Knight Chris , Voth Gregory A.
Published: January 2015

A detailed understanding of the inherently multiscale proton transport process raises a number of scientifically challenging questions. For example, there remain many (partially addressed) questions on the molecular mechanism for long-range proton migration and the potential for the formation of long-lived traps giving rise to burst-and-rest proton dynamics. Using results from a sizeable collection of ab initio molecular dynamics (AIMD) simulations (totaling ∼2.7 ns) with various density functional approximations (Becke-Lee-Yang-Parr (BLYP), BLYP–D3, Hamprecht-Cohen-Tozer-Handy, B3LYP) and temperatures (300–330 K), equilibrium and dynamical properties of one excess proton and 128 water molecules are studied. Two features in particular (concerted hops and weak hydrogen-bond donors) are investigated to identify modes in the system that are strongly correlated with the onset of periods of burst-and-rest dynamics. The question of concerted hops seeks to identify those time scales over which long-range proton transport can be classified as a series of sequential water hopping events or as a near-simultaneous concerted process along compressed water wires. The coupling of the observed burst-and-rest dynamics with motions of a fourth neighboring water molecule (a weak hydrogen-bond donor) solvating the protonated water molecule is also investigated. The presence (absence) of hydrogen bonds involving this fourth water molecule before and after successful proton hopping events is found to be strongly correlated with periods of burst (rest) dynamics (and consistent with pre-solvation concepts). By analyzing several realizations of the AIMD trajectories on the 100-ps time scale, convergence of statistics can be assessed. For instance, it was observed that the probability for a fourth water molecule to approach the hydronium, if not already proximal at the beginning of the lifetime of the hydronium, is very low, indicative of the formation of stable void regions. Furthermore, the correlations of the neighboring water atoms are identified as the fourth water approaches the hydronium. Finally, the temperature effects on structural and dynamical properties are studied.
Dirac oscillator and nonrelativistic Snyder-de Sitter algebra
Authors: Stetsko M. M.
Published: January 2015

Three dimensional Dirac oscillator was considered in space with deformed commutation relations known as Snyder-de Sitter algebra. Snyder-de Sitter commutation relations give rise to appearance of minimal uncertainties in position as well as in momentum. To derive energy spectrum and wavefunctions of the Dirac oscillator, supersymmetric quantum mechanics and shape invariance technique were applied.
Study of the thermodynamic properties of CeO2 from ab initio calculations: The effect of phonon-phonon interaction
Authors: Niu Zhen-Wei , Zeng Zhao-Yi , Hu Cui-E , Cai Ling-Cang , Chen Xiang-Rong
Published: January 2015

The thermodynamic properties of CeO2 have been reevaluated by a simple but accurate scheme. All our calculations are based on the self-consistent ab initio lattice dynamical (SCAILD) method that goes beyond the quasiharmonic approximation. Through this method, the effects of phonon-phonon interactions are included. The obtained thermodynamic properties and phonon dispersion relations are in good agreement with experimental data when considering the correction of phonon-phonon interaction. We find that the correction of phonon-phonon interaction is equally important and should not be neglected. At last, by comparing with quasiharmonic approximation, the present scheme based on SCAILD method is probably more suitable for high temperature systems.
Sensing polarization effects through the analysis of the effective C6 dispersion coefficients in NaCl solutions
Authors: Guevara-García Alfredo , Ireta Joel , Galván Marcelo
Published: January 2015

Density functional theory based ab initio molecular dynamics is used to obtain microscopic details of the interactions in sodium chloride solutions. By following the changes in the atomic C6 coefficients under the Tkatchenko-Scheffler’s scheme, we were able to identify two different coordination situations for the Cl− ion with significant different capabilities to perform dispersion interactions. This capability is enhanced when the ion-ion distance corresponds to the contact ion-pair situation. Also, the oxygen and hydrogen atoms of the water molecules change their aptitudes to interact through van der Waals like terms when they are close to the cation region of the ion-pair. These results have interesting implications on the design of force fields to model electrolyte solutions.
Kinetic regulation mechanism of pbuE riboswitch
Authors: Gong Sha , Wang Yujie , Zhang Wenbing
Published: January 2015

Riboswitches are RNA residue segments located in untranslated regions of messenger RNAs. These folded segments directly bind ligands through shape complementarity and specific interactions in cells and alter the expression of genes at the transcriptional or translational level through conformation change. Using the recently developed systematic helix-based computational method to predict the cotranscription folding kinetics, we theoretically studied the cotranscription folding behavior of the Bacillus subtilis pbuE riboswitch in the absence and presence of the ligand. The ligand concentration, the transcription speed, and the transcription pausing are incorporated into the method. The results are in good agreement with the experimental results. We find that there are no obvious misfolded structures formed during the transcription and the formation of the ligand bound state is rate-limited by the association of the ligand and the RNA. For this kinetically driven riboswitch, the ligand concentration, the transcription speed, and the transcription pausing are coupled to perform regulatory activity.
Quantum dynamics study on the CHIPR potential energy surface for the hydroperoxyl radical: The reactions O + OH⇋O2 + H
Authors: Teixidor Marc Moix , Varandas António J. C.
Published: January 2015

Quantum scattering calculations of the O(3P)+OH(2Π)⇌O2(3Σg−)+H(2S) reactions are presented using the combined-hyperbolic-inverse-power-representation potential energy surface [A. J. C. Varandas, J. Chem. Phys. 138, 134117 (2013)], which employs a realistic, ab initio-based, description of both the valence and long-range interactions. The calculations have been performed with the ABC time-independent quantum reactive scattering computer program based on hyperspherical coordinates. The reactivity of both arrangements has been investigated, with particular attention paid to the effects of vibrational excitation. By using the J-shifting approximation, rate constants are also reported for both the title reactions.
Interfacial capacitance between a ferroelectric Fe3O4 thin film and a semiconducting Nb:SrTiO3 substrate
Authors: Takahashi R. , Cho Y. , Lippmaa M.
Published: January 2015

The interface between a ferroelectric Fe3O4 thin film and a semiconducting 0.05 wt. % Nb:SrTiO3 substrate was investigated by ferroelectric, pyroelectric, capacitance, transport, and nonlinear dielectric microscopy measurements. Ferroelectric polarization measurements showed that the magnetite films are ferroelectric with an onset temperature that coincides with the Verwey transition at 120 K and that the ferroelectric domains can be reversed by applying an electric field, but only if the films are grown on nondoped SrTiO3 substrates. Pyroelectric measurements and scanning nonlinear dielectric microscopy showed that a polar state is also present in Pd/Fe3O4/Nb:SrTiO3 heterostructures but the polarization could not be switched by applying an electric field. It is shown that the inability to switch the polarity of magnetite films grown on semiconducting Nb:SrTiO3 substrates is caused by the presence of a Schottky barrier that forms at low temperature at the Fe3O4/Nb:SrTiO3 interface. Systematic capacitance measurements were used to extract the film and interface layer capacitances and construct a quantitatively accurate equivalent circuit model for the Fe3O4/Nb:SrTiO3 heterostructures.
Time-resolved terahertz dynamics in thin films of the topological insulator Bi2Se3
Authors: Valdés Aguilar R. , Qi J. , Brahlek M. , Bansal N. , Azad A. , Bowlan J. , Oh S. , Taylor A. J. , Prasankumar R. P. , Yarotski D. A.
Published: January 2015

We use optical pump–THz probe spectroscopy at low temperatures to study the hot carrier response in thin Bi2Se3 films of several thicknesses, allowing us to separate the bulk from the surface transient response. We find that for thinner films the photoexcitation changes the transport scattering rate and reduces the THz conductivity, which relaxes within 10 picoseconds (ps). For thicker films, the conductivity increases upon photoexcitation and scales with increasing both the film thickness and the optical fluence, with a decay time of approximately 5 ps as well as a much higher scattering rate. These different dynamics are attributed to the surface and bulk electrons, respectively, and demonstrate that long-lived mobile surface photo-carriers can be accessed independently below certain film thicknesses for possible optoelectronic applications.
Optical properties of epitaxial BiFeO3 thin films grown on LaAlO3
Authors: Himcinschi Cameliu , Bhatnagar Akash , Talkenberger Andreas , Barchuk Mykhailo , Zahn Dietrich R. T. , Rafaja David , Kortus Jens , Alexe Marin
Published: January 2015

Highly strained and nearly pseudomorphic BiFeO3 epitaxial films were deposited on LaAlO3 and TbScO3 substrates, respectively. The symmetry of the tetragonal-like BiFeO3 films is discussed based on polarisation dependent Raman measurements and on the comparison with Raman spectra measured for rhombohedral films deposited on TbScO3. The evaluation of ellipsometric spectra reveals that the films deposited on LaAlO3 are optically less dense and the features in complex dielectric function are blue-shifted by 0.3 eV as compared to the rhombohedral films. Optical bandgaps of 3.10 eV and 2.80 eV were determined for the films deposited on LaAlO3 and TbScO3, respectively. The shift in the optical bandgap and dielectric function is nearly preserved also for thicker films, which indicates that the compressive strain is retained even in films with thicknesses above 100 nm as was confirmed also by XRD investigations.
Growth and optical characteristics of high-quality ZnO thin films on graphene layers
Authors: Park Suk In , Tchoe Youngbin , Baek Hyeonjun , Heo Jaehyuk , Hyun Jerome K. , Jo Janghyun , Kim Miyoung , Kim Nam-Jung , Yi Gyu-Chul
Published: January 2015

We report the growth of high-quality, smooth, and flat ZnO thin films on graphene layers and their photoluminescence (PL) characteristics. For the growth of high-quality ZnO thin films on graphene layers, ZnO nanowalls were grown using metal-organic vapor-phase epitaxy on oxygen-plasma treated graphene layers as an intermediate layer. PL measurements were conducted at low temperatures to examine strong near-band-edge emission peaks. The full-width-at-half-maximum value of the dominant PL emission peak was as narrow as 4 meV at T = 11 K, comparable to that of the best-quality films reported previously. Furthermore, the stimulated emission of ZnO thin films on the graphene layers was observed at the low excitation energy of 180 kW/cm2 at room temperature. Their structural and optical characteristics were investigated using X-ray diffraction, transmission electron microscopy, and PL spectroscopy.
Angle-dependent transmission in graphene heterojunctions
Authors: Rahman Atikur , Guikema Janice Wynn , Hassan Nora M. , Marković Nina
Published: January 2015

We describe an experimental setup for measuring angle-dependent transmission due to Klein tunneling through quasi-ballistic graphene heterojunctions. Our devices consist of straight and angled leads, in which the barrier height is controlled by a shared gate electrode. Using a balancing technique and a differential measurement, we show how to isolate the angle-dependent contribution to the resistance from other angle-insensitive, gate-dependent, and device-dependent effects. We find that our baseline signal is dominated by mesoscopic conductance fluctuations, but that the increase in the fluctuation amplitude is due to angle-dependent transmission.
Fidelity imaging for atomic force microscopy
Authors: Ghosal Sayan , Salapaka Murti
Published: January 2015

Atomic force microscopy is widely employed for imaging material at the nanoscale. However, real-time measures on image reliability are lacking in contemporary atomic force microscopy literature. In this article, we present a real-time technique that provides an image of fidelity for a high bandwidth dynamic mode imaging scheme. The fidelity images define channels that allow the user to have additional authority over the choice of decision threshold that facilitates where the emphasis is desired, on discovering most true features on the sample with the possible detection of high number of false features, or emphasizing minimizing instances of false detections. Simulation and experimental results demonstrate the effectiveness of fidelity imaging.
Highly stable superhydrophobic surfaces under flow conditions
Authors: Lee Moonchan , Yim Changyong , Jeon Sangmin
Published: January 2015

We synthesized hydrophobic anodic aluminum oxide nanostructures with pore diameters of 35, 50, 65, and 80 nm directly on quartz crystal microresonators, and the stability of the resulting superhydrophobicity was investigated under flow conditions by measuring changes in the resonance frequency and dissipation factor. When the quartz substrates were immersed in water, their hydrophobic surfaces did not wet due to the presence of an air interlayer. The air interlayer was gradually replaced by water over time, which caused decreases in the resonance frequency (i.e., increases in mass) and increases in the dissipation factor (i.e., increases in viscous damping). Although the water contact angles of the nanostructures increased with increasing pore size, the stability of their superhydrophobicity increased with decreasing pore size under both static conditions (without flow) and dynamic conditions (with flow); this increase can be attributed to an increase in the solid surface area that interacts with the air layer above the nanopores as the pore size decreases. Further, the effects of increasing the flow rate on the stability of the superhydrophobicity were quantitatively determined.
Interpretation of heavy metal speciation in sequential extraction using geochemical modelling
Authors: Cui Yanshan , Weng Liping
Published: January 2015

Environmental context
Heavy metal pollution is a worldwide environmental concern, and the risk depends not only on their total concentration, but also on their chemical speciation. Based on state-of-the-art geochemical modelling, we pinpoint the heavy metal pools approached by the widely used sequential extraction method. The finding of this paper can help users of sequential extraction methods to better interpret their results.

Abstract
In this study, the metal (Cd, Cu, Zn and Pb) fractionation determined by selective sequential extraction (SSE) was compared with metal speciation calculated using a geochemical model, the Multi-Surface Model (MSM). In addition, the sources of Cd, Cu and Zn extracted in the SSE were identified with the help of the modelling. The results showed that the SSE-based Cd fractionation contradicted the modelled results, with the organic-bound Cd as respectively the least and the most important species. This contradiction was explained by the model and was attributed to the weak specific adsorption of Cd to organic matter; For Cu, a good agreement was found between SSE and model fractionation, both recognising organic-bound Cu as the most dominant fraction. The high affinity of organic matter for Cu reduced the degree of Cu extracted in steps preceding the oxidation step. The SSE measured a larger exchangeable Zn fraction than the model predicted, which could be explained by Zn extracted from organic-bound, oxide-bound forms, and certain rapidly dissolvable Zn-minerals if present. Zinc in the micropores of minerals was probably not extracted in 0.43M HNO3, thus was not included in the modelling for adsorption calculation, which could explain to a certain extent the larger amount of oxide-bound Zn determined in the SSE than calculated in the model. The modelling results for Pb were less reliable than for other metals because of a poor accuracy of Pb concentration in solution predicted. The findings of this paper can help users of the sequential extraction methods to better interpret their results.
Adsorption of novel insensitive munitions compounds at clay mineral and metal oxide surfaces
Authors: Linker Billy R. , Khatiwada Raju , Perdrial Nico , Abrell Leif , Sierra-Alvarez Reyes , Field James A. , Chorover Jon
Published: January 2015

Environmental context
Insensitive munitions compounds are increasingly used in the manufacture of military energetic materials because of their lower unintentional explosion risk during transport and handling. The current study was designed to better resolve the environmental chemistry of two of these insensitive munitions compounds. In particular, we investigated the solid–solution partitioning that occurs when aqueous solutions containing dissolved unexploded ordinances come into contact with soil mineral media.

Abstract
Insensitive munitions compounds (IMCs) are increasingly used for military energetic materials, yet their environmental fate is poorly understood. Prior work has shown that the nitroaromatic 2,4-dinitroanisole (DNAN) and the heterocyclic nitrogen compound 3-nitro-1,2,4-triazole-5-one (NTO), both newly introduced IMCs, can undergo microbially mediated reduction under anoxic conditions to form 2-methoxy-5-nitroaniline (MENA) and 3-amino-1,2,4,triazole-5-one (ATO) respectively. In the present work, DNAN, MENA, NTO and ATO were subjected to batch adsorption–desorption experiments with specimen soil mineral adsorbents that included montmorillonite, birnessite and goethite. DNAN and MENA exhibited high affinity, linear adsorption to montmorillonite, with enhanced surface excess at a given aqueous equilibrium concentration for K+-saturated relative to Na+-saturated forms, but negligible adsorption to the metal oxides. Powder X-ray diffraction data and surface occupancy calculations indicate interlayer intrusion by DNAN and MENA and adsorption at siloxane sites. Conversely, NTO and ATO exhibited low sorptive affinity and apparent anion exclusion upon reaction with the negatively charged layer silicate clays. However, both of the N-heterocycles showed positive adsorption affinities for goethite (Kd values of 11.1 and 3.1, and HI values of 1.8 and 0.50 respectively), consistent with anion adsorption to the positively charged goethite surface. Both ATO and MENA were subjected to apparent oxidative, abiotic chemical transformation during reaction with birnessite. The results indicate that the IMCs studied will exhibit adsorptive retardation – and their biodegradation products may undergo further abiotic transformation – upon reaction at soil mineral surfaces.
Resilience of a semi-deciduous shrub, Cistus salvifolius, to severe summer drought and heat stress
Authors: Grant Olga M. , Tronina Łukasz , García-Plazaola José I. , Esteban Raquel , Pereira João Santos , Chaves M. Manuela
Published: January 2015

Shrubs often form the understorey in Mediterranean oak woodlands. These shrubs are exposed to recurrent water deficits, but how they will respond to predicted future exacerbation of drought is not yet understood. The ecophysiology of the shrub Cistus salvifolius L. was studied over the summer of 2005, which was during a heat-wave superimposed on the most severe drought in the Iberian Peninsula in the last 140 years. Branch water potential fell drastically during the summer, accompanied by stomatal closure and downregulation of PSII, with a concomitant loss of chlorophyll in the leaves. A parallel increase in the ratio of light-dissipating to light-capturing pigments and the proportion of xanthophyll cycle pigments in the de-epoxidated state, along with alterations in the structure of the light harvesting complex, may have reduced the potential for damage to leaves. Substantial increases in leaf tocopherol content during high radiation may have reduced damage from free radicals. Following autumn rains, leaves of the same shrubs showed physiological recovery, indicating the resilience of this Mediterranean species, for which an extremely dry hydrological year with 45% less rainfall than average, did not prevent healthy leaf functioning in response to renewed soil moisture availability.
Cooled semen for fixed-time artificial insemination in beef cattle
Authors: Borges-Silva Juliana C. , Silva Márcio R. , Marinho Daniel B. , Nogueira Eriklis , Sampaio Deiler C. , Oliveira Luiz Orcírio F. , Abreu Urbano G. P. , Mourão Gerson B. , Sartori Roberto
Published: January 2015

This study evaluated the use of cooled semen in a fixed-time artificial insemination (FTAI) program compared with frozen–thawed semen to improve pregnancy rates in beef cattle. Ejaculates of three bulls were collected and divided into two treatments: (1) frozen–thawed semen and (2) cooled semen. Egg-yolk extender without glycerol was used for the cooled semen treatment. Straws (25 × 106 spermatozoa) were submitted to cooling for preservation at 5°C for 24 h, after which FTAI was performed. Nelore cows (n = 838) submitted to FTAI were randomly inseminated using frozen–thawed semen or cooled semen. There was a 20% increase in the pregnancy per AI (P AI–1) using cooled semen compared with frozen–thawed semen (59.9 ± 4.7 vs 49.4 ± 5.0%; P < 0.005). There was no difference in P AI–1 among the bulls (P = 0.40). The frozen–thawed semen had fewer functional spermatozoa than did the cooled semen when evaluated by sperm motility (61.7 vs 81.0%), slow thermoresistance test (41.7 vs 66.7%) and hypoosmotic swelling test (38.3 vs 53.7%; P < 0.05). The percentage of sperm abnormalities did not differ between the freeze–thawing and cooling processes (18.6 vs 22.1%; P > 0.05). Because there was less damage to spermatozoa and improvement in P AI–1, the use of cooled semen instead of frozen–thawed semen is an interesting approach to increase reproductive efficiency in cattle submitted to a FTAI protocol.
Landlords in the making: class dynamics of the land grab in Mbarali, Tanzania
Authors: Greco Elisa
Published: January 2015

This paper reorients the analysis of land grabs in Tanzania towards the role of class dynamics. It draws on primary research on resistance against the privatisation of a state rice farm in Mbeya Region. This is a land grab ahead of its time, as it occurred before the wave of global land enclosures spurred by the 2007/8 crisis. The paper argues that the recent wave of dispossession builds on pre-existing processes of rural social differentiation and class formation, which are played out through the politics of land and its class dynamics. It claims that if engaged scholarship is to support the progressive potential of resistance against land grabs in Africa, the class dynamics of land grabs must be acknowledged.
Overdose Education and Naloxone Rescue Kits for Family Members of Individuals who Use Opioids: Characteristics, Motivations, and Naloxone Use
Authors: Bagley Sarah M. , Peterson Joanne , Cheng Debbie M. , Jose Charles , Quinn Emily , O'Connor Patrick G. , Walley Alexander Y.
Published: January 2015

Background

In response to the overdose epidemic, a network of support groups for family members in Massachusetts has been providing overdose education and naloxone rescue kits (OEN). The aims of this study were to describe the characteristics, motivations, and benefits of family members who receive OEN and to describe the frequency of naloxone used during an overdose rescue.

Methods

This cross-sectional, multisite study surveyed attendees of community support groups for family members of opioid users where OEN training was offered using a 42-item self-administered survey that included demographics, relationship to the individual using opioids, experience with overdose, motivations to receive OEN, and naloxone rescue kit use.

Results

Of 126 attendees who completed surveys at 8 sites, most attendees were white (95%), female (78%), married or partnered (74%), parents of an individual using opioids (85%), and providing financial support for the individual using opioids (52%). The OEN trainees (79%) were more likely than attendees not trained (21%) to be parents of an individual using opioids (91% vs. 65%, P < .05), to provide financial support to an individual using opioids (58% vs. 30%, P < .05), and to have witnessed an overdose (35% vs. 12%, P = .07). The major motivations to receive training were wanting a kit in their home (72%), education provided at the meeting (60%), and hearing about benefits from others (57%). Sixteen parents reported witnessing their child overdose, and 5 attendees had used naloxone successfully during an overdose rescue.

Conclusions

Support groups for families of people who use opioids are promising venues to conduct overdose prevention trainings because attendees are motivated to receive training and will use naloxone to rescue people when witnessing an overdose. Further study is warranted to understand how to optimize this approach to overdose prevention in the community setting.
Developing differentiation practices: meeting the needs of pupils and teachers
Authors: Simpson Mary
Published: January 2015

Investigations of aspects of differentiation in primary and secondary schools showed that even teachers believed to be ‘good differentiators' have difficulties in allocating tasks to pupils which are appropriate to their attainment levels. Teachers identified a number of key needs to be met if they were to improve differentiation, in particular the need for detailed, manageable, accessible information on pupils' attainments. Among the needs of learners identified by pupils was a need for more information on their learning goals, problems and the means of their solution. A partnership model of assessment is described which has been developed by teachers to meet the needs of both teachers and pupils.
Dilemma and resolution: primary school teachers look beyond Dearing
Authors: Silcock Peter , Wyness Mike
Published: January 2015

During an hiatus in reform created by the implementation of Sir Ron Dearing's revisions of the English/Welsh National Curriculum, forty primary school practitioners were interviewed about the way their jobs have changed over recent years, and whether the recent SCAA revisions address their difficulties. They were asked about relationships with colleagues, pupils, parents and inspectors and given the opportunity to advise on the way ahead. Their responses were analysed as five practical dilemmas summarized under two headings: (1) whether to embrace the trend towards standardization and central control built into the ERA or try to adapt its changes towards the diverse, individualistic (child‐centred) ethos of British primary schools; (2) whether to work for co‐operation with others in the face of challenges or compete for resources and clientele. Practitioners were found, generally, to interpret reforms in ways allowing them to retain their current personal philosophies and practices, while preferring co‐operative to competitive modes of relationship with colleagues, pupils, parents and inspectors.
Bad apples, behaving badly? Workplace religious discrimination disputes and resolution behaviors
Authors: Lund Dean Kathy , Safranski Scott R. , Lee E. Scott
Published: January 2015

Compared to other Title VII workplace discrimination protections, religious discrimination research has received little attention. This study compares workplace religious discrimination disputes with more common forms of discrimination claiming including race, sex, and sexual harassment.
We analyzed 72 Federal Circuit Court of Appeals religious discrimination cases to ascertain what organizational roles both plaintiffs and perpetrators held, and at what organizational levels. We also examined differences in dispute resolution behaviors employed by both plaintiffs and perpetrators/defendant
firms. Consistent with other forms of Title VII complaints, most plaintiffs in religious discrimination cases hold technical or line positions, and most perpetrators are the plaintiff’s direct supervisor. Also consistent, we found that plaintiffs utilize internal voicing processes prior
to alerting an external body. However, we found differences, including evidence that plaintiffs themselves may obstruct complaint resolution and that some organizational policies contribute to religious discrimination complaints. Executive reactions to our findings conclude the article.
The self: Your own worst enemy? A test of the self-invoking trigger hypothesis
Authors: McKay Brad , Wulf Gabriele , Lewthwaite Rebecca , Nordin Andrew
Published: January 2015

The self-invoking trigger hypothesis was proposed by Wulf and Lewthwaite [Wulf, G., & Lewthwaite, R. (2010). Effortless motor learning? An external focus of attention enhances movement effectiveness and efficiency. In B. Bruya (Ed.), Effortless attention: A new perspective in attention and action (pp. 75–101). Cambridge, MA: MIT Press] as a mechanism underlying the robust effect of attentional focus on motor learning and performance. One component of this hypothesis, relevant beyond the attentional focus effect, suggests that causing individuals to access their self-schema will negatively impact their learning and performance of a motor skill. The purpose of the present two studies was to provide an initial test of the performance and learning aspects of the self-invoking trigger hypothesis by asking participants in one group to think about themselves between trial blocks—presumably activating their self-schema—to compare their performance and learning to that of a control group. In Experiment 1, participants performed 2 blocks of 10 trials on a throwing task. In one condition, participants were asked between blocks to think about their past throwing experience. While a control group maintained their performance across blocks, the self group's performance was degraded on the second block. In Experiment 2, participants were asked to practice a wiffleball hitting task on two separate days. Participants returned on a third day to perform retention and transfer tests without the self-activating manipulation. Results indicated that the self group learned the hitting task less effectively than the control group. The findings reported here provide initial support for the self-invoking trigger hypothesis.
rbamtools: an R interface to samtools enabling fast accumulative tabulation of splicing events over multiple RNA-seq samples
Authors: Kaisers Wolfgang , Schaal Heiner , Schwender Holger
Published: January 2015

Summary: The open source environment R isf the most widely used software to statistically explore biological data sets including sequence alignments. BAM is the de facto standard file format for sequence alignment. With rbamtools, we provide now a full spectrum of accessibility to BAM for R users such as reading, writing, extraction of subsets and plotting of alignment depth where the script syntax closely follows the SAM/BAM format. Additionally, rbamtools enables fast accumulative tabulation of splicing events over multiple BAM files.

Availability and implementation: rbamtools is available on CRAN and on R-Forge.

Contact:  kaisers@med.uni-duesseldorf.de

Supplementary information:  Supplementary data are available at Bioinformatics online.
Development of an expert professional curriculum for antimicrobial pharmacists in the UK
Authors: Sneddon Jacqueline , Gilchrist Mark , Wickens Hayley
Published: January 2015

The role of antimicrobial pharmacists has changed considerably over the past 15 years. We describe here the development and ratification of a new expert professional curriculum to guide the training and development of antimicrobial specialist pharmacists. The curriculum has been developed by the UK Clinical Pharmacy Association Pharmacy Infection Network and endorsed by the Royal Pharmaceutical Society as a tool to support pharmacists in meeting the requirements for joining the Royal Pharmaceutical Society Faculty. This new resource has also been endorsed by PHE, the Scottish Antimicrobial Prescribing Group and the BSAC, and will support antimicrobial pharmacists in delivery of antimicrobial stewardship, which will in turn help the fight against antimicrobial resistance.
The impact of social disadvantage in moderate-to-severe chronic kidney disease: an equity-focused systematic review*
Authors: Morton Rachael Lisa , Schlackow Iryna , Mihaylova Borislava , Staplin Natalie Dawn , Gray Alastair , Cass Alan
Published: January 2015

It is unclear whether a social gradient in health outcomes exists for people with moderate-to-severe chronic kidney disease (CKD). We critically review the literature for evidence of social gradients in health and investigate the ‘suitability’ of statistical analyses in the primary studies. In this equity-focused systematic review among adults with moderate-to-severe CKD, factors of disadvantage included gender, race/ethnicity, religion, education, socio-economic status or social capital, occupation and place of residence. Outcomes included access to healthcare, kidney disease progression, cardiovascular events, all-cause mortality and suitability of analyses. Twenty-four studies in the pre-dialysis population and 34 in the dialysis population representing 8.9 million people from 10 countries were included. In methodologically suitable studies among pre-dialysis patients, a significant social gradient was observed in access to healthcare for those with no health insurance and no home ownership. Low income and no home ownership were associated with higher cardiovascular event rates and higher mortality [HR 1.94, 95% confidence interval (CI) 1.27–2.98; HR 1.28, 95% CI 1.04–1.58], respectively. In methodologically suitable studies among dialysis patients, females, ethnic minorities, those with low education, no health insurance, low occupational level or no home ownership were significantly less likely to access cardiovascular healthcare than their more advantaged dialysis counterparts. Low education level and geographic remoteness were associated with higher cardiovascular event rates and higher mortality (HR 1.54, 95% CI 1.01–2.35; HR 1.21, 95% CI 1.08–1.37), respectively. Socially disadvantaged pre-dialysis and dialysis patients experience poorer access to specialist cardiovascular health services, and higher rates of cardiovascular events and mortality than their more advantaged counterparts.
The Epigrapher at Work
Authors: Bruun Christer , Edmondson Jonathan
Published: January 2015

This chapter introduces the reader to how an epigrapher works with inscriptions. It uses Hans-Georg Pflaum’s publication of an inscription from North Africa honouring Suetonius as a model for how students and scholars should proceed in editing, dating, and interpreting an inscription. Information is also given on how to use twenty-first century aids, such as digital photography .
The Roman Army
Authors: Speidel Michael Alexander
Published: January 2015

The Roman imperial army was the largest state-run organization of the Roman Empire with well over 400,000 soldiers and officers serving in Rome, Italy, the provinces, and some even beyond. Men from all levels of Roman society and from all parts of the empire joined this army. The widespread use of inscriptions, even in areas where there was previously no comparable local tradition, reveals the extent to which the military community was rooted in Roman culture. This chapter analyzes this phenomenon, allowing for and explaining the differences in culture due to regional influences and developments.
Roman Family History
Authors: Edmondson Jonathan
Published: January 2015

Inscriptions have a crucial role to play in our understanding of Roman family history. This chapter underlines some of the methodological problems in using inscriptions for such topics as the demography of the family, family relations, and family structures. Despite these problems, it demonstrates how inscriptions are revealing for topics such as kinship, marriage, spousal affection, childbirth, and the rearing of children .
Death and Burial
Authors: Chioffi Laura
Published: January 2015

It has been estimated that of all surviving Latin and Greek inscriptions, between two thirds and three quarters are epitaphs. The chapter discusses the typology, chronology, and regional variation of Roman funerary inscriptions in the physical context of the tombs of which they originally formed a part. It also emphasizes the light that epitaphs throw on self-representation, status and rank, and demography, concluding with a discussion of legal aspects of burial and views of the afterlife as revealed in funerary inscriptions .
Linguistic Variation, Language Change, and Latin Inscriptions
Authors: Kruschwitz Peter
Published: January 2015

This chapter investigates Latin inscriptions that contain linguistic features which appear to stem from popular, as opposed to elite, usage and are rarely, if ever, found in Roman literary authors, unless these were explicitly seeking to mimic uneducated, semi-literate, or moronic people’s speech. Topics treated include: diastratic, diaphasic, and diatopic varieties of Latin, the now contested concept of “Vulgar Latin,” and the phonology, morphology, and syntax and semantics of such Latin inscriptions. The chapter traces the broader use of the Latin language than that found in the literary corpus and thus widens our understanding of what may be considered “standard” Latin.
Inscriptions and Literacy
Authors: Bodel John
Published: January 2015

The study of ancient reading and writing practices must begin with inscriptions. This chapter charts the recent debates about the concept of literacy in the Roman world. Setting out from the archaic period, it shows how inscriptions have a key role to play in any assessment of the difficult question of levels of literacy, while at the same time highlighting some of the methodological problems involved in such enquiries. The chapter concludes with a brief exploration of topics ripe for further study .
Carmina Latina Epigraphica
Authors: Schmidt Manfred G.
Published: January 2015

Latin verse inscriptions, the so-called carmina epigraphica, are among the treasures of our epigraphic heritage. They are especially demanding because of their metrical form, length, and sophisticated textual content. Depending on the writer’s intentions, they are related to epideictic literary genres such as encomium and biography, scoptic epigram, lament and consolation, hymn and prayer, as well as ecphrasis. The chapter provides a brief history of the study of verse inscriptions and by means of examples ranging from the third century BCE to late Antiquity presents a typology of this genre of Latin inscriptions, c. 80% of which are funerary texts.
Ethical Aspects in the Care of Intersex Patients
Authors: Murphy Timothy F.
Published: January 2015

People with intersex conditions have male-typical and female-typical traits, to varying degrees in genetics and anatomy. Because of these variations, people with intersex conditions or disorders of sexual development can face difficulties related to their identities and relationships. As a matter of ethics, clinicians should exhibit humane behavior toward patients of all ages as they explore the meaning of their intersex condition for their health and well-being. Clinicians can also help families understand the meaning of that condition for their children and themselves. Clinicians will also have responsibilities toward child, adolescent, and adult patients bearing on the psychological effects of body modifications taken to normalize their sexual appearance. In addition, clinicians will have the responsibility to address the effects of body modifications hoped for by the patient. Observance of confidentiality is key in relationships with intersex patients.
Stephen Weiner, Patient in the Mental Health System
Authors: Weiner Stephen , Petermann Susanne
Published: January 2015

Excerpts from an interview with Stephen Weiner, who recounts his experience in the mental health care system from being told he had an emotional disturbance as a child (1957–1958) to his work with a psychiatrist on strengthening his more rational self. As a child, he was not given a diagnosis, making it difficult to know how “objectively” to evaluate his condition. Probably little was known about the phenomenology of derealization and solipsism then. After college he decided to seek treatment for his growing depression and alcohol abuse under a method known as Rolfing. He describes his skepticism toward psychiatrists and allied professionals unwilling to explain the scientific basis of their treatment. He suggests that the switch to the biological model of mental illness, while mostly good, brought about new difficulties for patients. After seeing three different doctors, Weiner settled with a psychiatrist who offered relief and palliative care.
Timely Endings and the Ethics of “Being Heard”
Authors: Marsh Pamela
Published: January 2015

The author reflects on her bout of complex post-traumatic stress disorder (C-PTSD) as well as her encounters with psychiatrists/psychotherapists and other mental health professionals. She recalls first being admitted to a psychiatric ward in 1996, to be followed by many more admissions for crisis intervention, self-harm, and suicide attempts. She says the therapy she received was sometimes traumatic and exacerbated the distress of her symptoms, while also significantly delaying her recovery. She thinks that the mental health care professionals, including psychiatrists, did not seem to understand what she was telling them about her thyroid illness. Had this been diagnosed and treated properly, its impact on her life would not have been as great as it was. Finally, she stresses the importance of a holistic approach in helping patients recover, recognizing when it is time to stop therapy, and the ethics of listening and “being heard” as part of psychotherapy.
Bolshevism Debated, 1921–1932
Authors: Gorsuch Anne E.
Published: January 2015

Focusing on the transnational flow and exchange of ideas, rather than on divisions and borders, this chapter emphasizes the ways in which early debates about ‘Sovietness’ related to multiple imaginings, understandings, and experiences of the ‘West’. This perspective builds on work that has reconsidered the history of the Soviet Union within the larger framework of European and North American modernity. ‘Being Soviet’ in the formative years of Bolshevism included ideas, technologies, and cultures that were ‘Western’. Some were openly and positively identified as such; others were covert or unacknowledged. The relationship was deeply ambivalent. But the resultant heterodoxy was notably different from Cold War concepts of the Soviet Union as rigid and impermeable.
Biopolitics
Authors: Miller Ruth A.
Published: January 2015

This chapter discusses the scholarly treatment of the term biopolitics from the mid-1970s to the present, and it describes how feminist theorists have influenced and also departed from this treatment. In the process, it addresses two questions. The first is how feminist theorists have redefined biopolitics as an affirmative or at least value-neutral concept that can help scholars come to terms with recent technological and environmental variations on democratic engagement. The second is how, having reconceived biopolitics in this way, feminist theorists have developed new approaches to classical questions in the fields of gender and sexuality studies. Feminist interpretations of biopolitics, for example, have added depth and nuance to ongoing conversations concerning women’s identity, embodiment, and reproductive activity in modern and contemporary democracies.
Feminist and Evolutionary Perspectives of Female-Female Competition, Status Seeking, and Social Network Formation
Authors: Liesen Laurette T.
Published: January 2015

During the 1980s and 1990s, feminist evolutionists were instrumental in demonstrating that primate females, including girls and women, can be aggressive and seek status within their groups. Building on their insights, researchers from across disciplines have found that females use a variety of direct and indirect tactics as they pursue their reproductive success. To better understand women’s aggression and status seeking, one also must examine their social networks. Women must not only deal with the dynamics within their groups, they also must deal with pressures from other groups. Success in maintaining connections in one’s social network is vital for access to the various resources women need for their own reproductive success and to keep competitors in check. Overall, women’s social networks, while serving both supportive and competitive functions, profoundly impact on the reproductive future of women and especially the survival and future reproductive strategies of their children.
Jonson’s Critical History
Authors: Sterling Eric
Published: January 2015

This chapter provides an overview of Jonson scholarship since 1900. The Biography section focuses on his social class, relationship with his family and peers, and his education. Edited and general literary criticism covers many seminal articles that appeared in print in edited collections. These books cover genre studies, the impact of the failed comedy The New Inn on his reputation, and analysis of the great comedies such as Volpone and The Alchemist, the epigrams, and other works. The poetry section covers classical influences, patronage, and the poet as a self-conscious craftsman. The section on masques discusses the influence of Inigo Jones, the use of spectacle, and Jonson’s desire for patronage and his political motivations. The final section covers the great comedies and the lesser-known dramas, focusing on satire, Jonson’s concern for his reputation, and the rise and fall of his career.