bluuebunny/crossref_metadata_2025_split huggingface dataset:
Implementing molecular dynamics simulation on the Sunway TaihuLight system with heterogeneous many‐core processors
Authors: Dong Wenqian , Li Kenli , Kang Letian , Quan Zhe , Li Keqin 
Published: April 2018

SummaryIn various research of atom and molecule physical movements, molecular dynamics (MD) simulation is a common tool to simulate and investigate the real molecular motion. However, it introduces a significant penalty in performance, power, electricity, and running time. Consequently, once the simulation size scales up and computing demands keep growing, it comes at substantial costs in performance and energy usage. In this paper, an optimized MD implementation on the Sunway TaihuLight supercomputer with heterogeneous many‐core processors is developed to address the abovementioned issues. The Sunway TaihuLight is a totally independently designed and developed Chinese supercomputer with a profusely customized integration approach and a brand new many‐core processor, the SW26010. The computing power mainly supported by the homegrown many‐core SW26010 processors differs from other existing heterogeneous supercomputers. The Sunway TaihuLight is a heterogeneous supercomputer that ranks first in the world with its peak performance over 100 PFLOPS. Firstly, we propose a new algorithm based on cluster particles to fit the special architecture of SW26010. Then, three optimization methods of the MD simulation are implemented step by step: parallelized extensions to SW26010, memory‐access optimizations, and vectorization. After these optimization processes, a 14x speedup is achieved on a single computing node and yields significant performance and energy improvements. Superiorly, almost 24,000 computing nodes (6,000,000 cores) are applied in our experiments, which gain an almost linear speedup. Besides, the proposed methods also can be adapted and fit to other molecular dynamics codes, even other similar scientific applications.
Molecular and Thermodynamic Properties of Zwitterions versus Ionic Liquids: A Comprehensive Computational Analysis to Develop Advanced Separation Processes
Authors: Moreno Daniel , Gonzalez‐Miquel Maria , Ferro Victor R. , Palomar Jose 
Published: April 2018

AbstractThe front cover artwork is provided by Palomar and co‐workers. The image shows the research strategy followed in this work to establish structure–properties relationships enabling selection and design of novel zwitterionic solvents to develop efficient separation technologies for relevant chemical processes. Read the full text of the Article at 10.1002/cphc.201701093.
How are supply chains addressing their social responsibility dilemmas? Review of the last decade and a half
Authors: Basta Mohamed , Lapalme James , Paquet Marc , Saint‐Louis Patrick , Abu Zwaida Tarek 
Published: April 2018

AbstractSupply chain social responsibility is increasingly a pressing concern to organizations of all sizes. Justified by its impact on the bottom line, various measures were adopted for resolution and prevention. However, despite the abundance of literature on the topic, there continues to be a lack of evidence on which of the measures are the most prolific, that is, how the concern of interest is actually handled. Such evidence would highlight missed opportunities and set the stage for future research. Toward this goal, the authors conducted a mapping study analyzing 590 articles. The findings reveal that corporate social responsibility, sustainable reporting, and social life cycle assessment are the most used methods whereas systems thinking ranks far behind. This work is original in that it is the first of its kind to reveal such findings scientifically. Practical implications of this work include reducing the supply chain's social footprint, ameliorating stakeholder quality of living, and mitigating social risk.
Analysis of fentanyl analogs and novel synthetic opioids in blood, serum/plasma, and urine in forensic casework
Authors: Moody Marykathryn Tynon , Diaz Stephanie , Shah Parul , Papsun Donna , Logan Barry K. 
Published: April 2018

AbstractIn recent years an increasing number of novel opioids have appeared on the illicit drug market and have been linked to the growing opioid crisis in the United States. It is suspected that synthetic‐opioid‐related deaths are underestimated since many laboratories either use a screening method that is not specific and sensitive enough for these compounds or testing is not performed for fentanyl and its related analogs in general. We describe a method for the analysis of 19 of the most current novel opioid drugs quantitatively in whole blood and serum, and 17 analytes qualitatively in urine using solid phase extraction with liquid chromatography–tandem mass spectrometry (LC–MS/MS). The limit of detection was determined to be at a minimum 0.25 ng/mL for beta‐hydroxythiofentanyl, 0.05 ng/mL for butyryl/isobutyrylfentanyl, AH‐7921, 2‐furanylfentanyl, 4‐ANPP, and U‐47700; 0.025 ng/mL for MT‐45, para‐methoxybutyrylfentanyl, 4‐methylphenethyl acetyl fentanyl, U‐50488, acrylfentanyl, valerylfentanyl, and carfentanil; and 0.0125 ng/mL for para‐fluorofentanyl, ortho‐fluorofentanyl, para‐fluorobutyrylfentanyl/FIBF, and alpha‐methylfentanyl. The lower limit of quantitation was determined to be 0.1 ng/mL for all analytes except AH‐7921, U‐47700, U‐50488 which were 0.05 ng/mL and beta‐hydroxythiofentanyl which was 0.5 ng/mL. The method was validated successfully according to a Scientific Working Group in Forensic Toxicology (SWGTOX) compliant approach. This method was applied to the analysis of 2758 samples between October 2016 and September 2017. It was determined that 4‐ANPP, furanylfentanyl, and carfentanil were the 3 most prevalent fentanyl related compounds detected: 56.1% of cases were positive for 4‐ANPP, 44.5% were positive for furanylfentanyl, and 25.2% cases were positive for carfentanil.
Attitudes and intentions of Greek teachers towards teaching pupils with dyslexia: An application of the theory of planned behaviour
Authors: Stampoltzis Aglaia , Tsitsou Elisavet , Papachristopoulos George 
Published: April 2018

The present study aims to examine Greek public primary school teachers' attitudes and intention towards teaching pupils with dyslexia using a model of the theory of planned behaviour (TPB). Toward that aim, 304 teachers aged between 22 and 59 years old, with an average overall work experience of 16.6 years completed a TPB questionnaire which assessed their attitudes, subjective norms and perceived behavioural control, their intention, as well as other exogenous factors. The validity and the reliability of the questionnaire were found to be adequate. Overall, the participating teachers report a wide range of educational interventions for pupils with dyslexia emphasizing the psychological aspects of support. They also face a number of barriers, but in general they express neutral to positive attitudes to dyslexia. Results show that attitudes, subjective norms and perceived behavioural control significantly predicted the teachers' intention towards teaching dyslexic pupils, thus confirming the applicability of the selected TPB model. Recommendations for teachers' training and limitations of the study are discussed.
High midday temperature stress has stronger effects on biomass than on photosynthesis: A mesocosm experiment on four tropical seagrass species
Authors: George Rushingisha , Gullström Martin , Mangora Mwita M. , Mtolera Matern S. P. , Björk Mats 
Published: April 2018

AbstractThe effect of repeated midday temperature stress on the photosynthetic performance and biomass production of seagrass was studied in a mesocosm setup with four common tropical species, including Thalassia hemprichii, Cymodocea serrulata, Enhalus acoroides, and Thalassodendron ciliatum. To mimic natural conditions during low tides, the plants were exposed to temperature spikes of different maximal temperatures, that is, ambient (29–33°C), 34, 36, 40, and 45°C, during three midday hours for seven consecutive days. At temperatures of up to 36°C, all species could maintain full photosynthetic rates (measured as the electron transport rate, ETR) throughout the experiment without displaying any obvious photosynthetic stress responses (measured as declining maximal quantum yield, Fv/Fm). All species except T. ciliatum could also withstand 40°C, and only at 45°C did all species display significantly lower photosynthetic rates and declining Fv/Fm. Biomass estimation, however, revealed a different pattern, where significant losses of both above‐ and belowground seagrass biomass occurred in all species at both 40 and 45°C (except for C. serrulata in the 40°C treatment). Biomass losses were clearly higher in the shoots than in the belowground root–rhizome complex. The findings indicate that, although tropical seagrasses presently can cope with high midday temperature stress, a few degrees increase in maximum daily temperature could cause significant losses in seagrass biomass and productivity.
Bioclimatic and altitudinal variables influence the potential distribution of canine parvovirus type 2 worldwide
Authors: Jiang Feng 
Published: April 2018

AbstractCanine parvovirus type 2 (CPV‐2) is extremely contagious and causes high rate of morbidity to many wild carnivores. It has three variants (CPV‐2a,CPV‐2b, andCPV‐2c) that are distributed worldwide with different frequencies and levels of genetic and antigenic variability. The disease poses a threat to the healthy survival and reproduction of wildlife. The research on the relationship betweenCPV‐2 epidemic and environmental variables is lacking. To fill this research gap, we used maximum entropy (MaxEnt) approach with principal component analysis (PCA) to evaluate the relation betweenCPV‐2 and environmental variables and to create a world risk map for this disease. According to thePCAresults, 18 environmental variables were selected from 68 variables for subsequent analyses. MaxEnt showed that annual mean temperature, isothermality, altitude, November precipitation, maximum temperature of warmest month, and precipitation of warmest quarter were the six most important variables associated withCPV‐2 distribution, with a total of 77.7% percent contribution. The risk of this disease between 18°N and 47°N was high, especially in the east of China and the United States. These results support further prediction of risk factors for this virus to help secure the health and sustainable survival of wild carnivores.
Shell morphology and color of the subtidal whelk Buccinum undatum exhibit fine‐scaled spatial patterns
Authors: Magnúsdóttir Hildur , Pálsson Snæbjörn , Westfall Kristen M. , Jónsson Zophonías O. , Örnólfsdóttir Erla Björk 
Published: April 2018

AbstractGeographical patterns in morphology can be the result of divergence among populations due to neutral or selective changes and/or phenotypic plasticity in response to different environments. Marine gastropods are ideal subjects on which to explore these patterns, by virtue of the remarkable intraspecific variation in life‐history traits and morphology often observed across relatively small spatial scales. The ubiquitous N‐Atlantic common whelk (Buccinum undatum) is well known for spatial variation in life‐history traits and morphology. Previous studies on genetic population structure have revealed that it exhibits significant differentiation across geographic distances. Within Breiðafjörður Bay, a large and shallow bay in W‐Iceland, genetic differentiation was demonstrated between whelks from sites separated by just 20 km. Here, we extended our previous studies on the common whelk in Breiðafjörður Bay by quantifying phenotypic variation in shell morphology and color throughout the Bay. We sought to test whether trait differentiation is dependent on geographic distance and/or environmental variability. Whelk in Breiðafjörður Bay displayed fine‐scale patterns of spatial variation in shape, thickness, and color diversity. Differentiation increased with increasing distance between populations, indicating that population connectivity is limited. Both shape and color varied along a gradient from the inner part of the bay in the east to the outer part in the west. Whelk shells in the innermost part of Breiðafjörður Bay were thick with an elongate shell, round aperture, and low color diversity, whereas in the outer part of the bay the shells were thinner, rounder, with a more elongate aperture and richer color diversity. Significant site‐specific difference in shell traits of the common whelk in correlation with environmental variables indicates the presence of local ecotypes and limited demographic connectivity.
Breeding phenology and performance for four swallows over 57 years: relationships with temperature and precipitation
Authors: Imlay Tara L. , Mills Flemming Joanna , Saldanha Sarah , Wheelwright Nathaniel T. , Leonard Marty L. 
Published: April 2018

AbstractClimate change can drive population declines for many species, often through changes to their food supply. These changes can involve a mis‐timing between periods of high food demand and peak food availability, typically from advances in breeding phenology, and/or an overall reduction in food availability. Aerial insectivores, birds that feed on insects caught in flight, are experiencing steep population declines possibly because of shifts in the timing and/or abundance of aerial insects. We determined whether changes in breeding performance over time could account for declines in Bank Riparia riparia, Barn Hirundo rustica, Cliff Petrochelidon pyrrhonota, and Tree Tachycineta bicolor Swallows, and if so, whether changes were related to shifts in breeding phenology and/or climate change. We compared breeding performance and phenology in Maritime Canada before (1962–1972) and after (2006–2016) the onset of steep population declines during the mid‐1980s, to determine whether breeding performance was reduced or phenology was advanced. Then, we modeled relationships between temperature, precipitation, breeding phenology, and performance for Barn and Tree Swallows, the only species with sufficient data, from 1960 to 2016, to determine whether phenology and performance were related to climatic conditions. Between the two time periods, we found significantly lower performance in Bank Swallows, higher performance in Barn and Tree Swallows, and unchanged performance in Cliff Swallows. We also found clutch initiation dates advanced by 8–10 d for all species except Bank Swallows. On the breeding grounds, warmer winter temperatures for Tree Swallows and less winter precipitation for Barn and Tree Swallows in a given year were associated with earlier breeding, and for Tree Swallows, changes in nestling survival. Otherwise, Barn and Tree Swallow breeding performance was unaffected by winter temperature and precipitation. Our results suggest that in this region poorer breeding performance could contribute to population declines for Bank Swallows but not for the other three species.
Patch size, isolation, and matrix effects on biodiversity and ecosystem functioning in a landscape microcosm
Authors: Spiesman Brian J. , Stapper Andres P. , Inouye Brian D. 
Published: April 2018

AbstractThe amount and arrangement of habitat is a fundamental determinant of biodiversity and ecosystem processes in a landscape. Biodiversity is expected to decline following habitat loss and isolation, potentially impeding ecosystem function. But because greater isolation usually accompanies habitat loss, the effects of habitat amount and isolation can be confounded. Moreover, the type or quality of the intervening matrix habitat can mediate amount and isolation effects on biodiversity. We used a landscape microcosm of oak leaf litter patches to examine the responses of bacterial communities and the ecosystem function of oak leaf decomposition to patch size, degree of isolation, and matrix habitat type (pine litter or bare ground). We found that oak patch size had no significant effect on bacterial communities or decomposition rates. However, bacterial richness increased with greater patch isolation and when oak litter patches were surrounded by a matrix of pine litter, rather than bare ground. The benefit of patch isolation for biodiversity runs counter to that expected by island biogeography theory, suggesting that spatially dependent interspecific interactions, such as predation or competition, may override direct dispersal effects. Higher bacterial richness in oak litter patches surrounded by a pine litter matrix indicated that spillover from neighboring matrix habitat can increase local richness. Instead of greater bacterial richness enhancing ecosystem functioning, leaf litter decomposition was negatively correlated with bacterial richness: Decomposition was slower in isolated oak litter patches and patches surrounded by a pine litter matrix. This negative relationship may be a result of spatial dynamics that can promote the persistence of bacteria from pine litter habitats that are not well suited to oak litter decomposition. Overall, our experiment indicates that effects of habitat loss, isolation, and matrix quality on richness and composition may depend on spatially constrained interspecific interactions, which can determine the functional ability of communities.
Fire regimes approaching historic norms reduce wildfire‐facilitated conversion from forest to non‐forest
Authors: Walker Ryan B. , Coop Jonathan D. , Parks Sean A. , Trader Laura 
Published: April 2018

AbstractExtensive high‐severity wildfires have driven major losses of ponderosa pine and mixed‐conifer forests in the southwestern United States, in some settings catalyzing enduring conversions to non‐forested vegetation types. Management interventions to reduce the probability of stand‐replacing wildfire have included mechanical fuel treatments, prescribed fire, and wildfire managed for resource benefit. In 2011, the Las Conchas fire in northern New Mexico burned forested areas not exposed to fire for >100 yr, but also reburned numerous prescribed fire units and/or areas previously burned by wildfire. At some sites, the combination of recent prescribed fire and wildfire approximated known pre‐settlement fire frequency, with two or three exposures to fire between 1977 and 2007. We analyzed gridded remotely sensed burn severity data (differenced normalized burn ratio), pre‐ and post‐fire field vegetation samples, and pre‐ and post‐fire measures of surface fuels to assess relationships and interactions between prescribed fire, prior wildfire, fuels, subsequent burn severity, and patterns of post‐fire forest retention vs. conversion to non‐forest. We found that Las Conchas burn severity was lowest, and tree survival was highest, in sites that had experienced both prescribed fire and prior wildfire. Sites that had experienced only prescribed or prior wildfire exhibited moderate burn severity and intermediate levels of forest retention. Sites lacking any recent prior fire burned at the highest severity and were overwhelmingly converted to non‐forested vegetation including grassland, oak scrub, and weedy, herbaceous‐dominated types. Burn severity in the Las Conchas fire was closely linked to surface woody fuel loads, which were reduced by prior wildfire and prescribed fire. Our results support the restoration of fire regimes via prescribed fire and resource benefit wildfire to promote the resiliency of forest types vulnerable to fire‐mediated type conversion. The application of prescribed fire to reduce surface fuels following wildfire may reduce forest loss during subsequent fire under more extreme conditions. These findings are especially relevant given likely increases in vulnerability associated with climate change impacts to wildfire and forest dynamics.
Quantifying forest carbon dynamics as a function of tree species composition and management under projected climate
Authors: Swanteson‐Franz Rachel J. , Krofcheck Daniel J. , Hurteau Matthew D. 
Published: April 2018

AbstractUncertainty remains about whether current rates of forest carbon uptake will be maintained with on‐going climate change and increasing rates of disturbance. The potential exists for climate and disturbance to exceed the physiological tolerances of certain tree species and push forest ecosystems to a point where they become C sources. Thus, a diversity of tree species with a range of physiological tolerances could provide adaptive capacity and potentially sustain a C sink despite adverse abiotic influences. The fire‐prone pine forests of the southeasternUSAhave been impacted by a combination of land use and fire exclusion, which has altered the demographics and composition of these historically diverse forests. We sought to quantify how prescribed fire and planting of climate‐resilient tree species would alter forest carbon dynamics under projected climate change at Fort Benning, Georgia. This landscape is comprised of a diversity of forest types with a range of land‐use histories and is heavily managed to meet military training objectives and federally listed species habitat requirements. We used a simulation approach to determine species‐specific growth responses to projected climate and develop two management scenarios: no‐management and prescribed fire coupled with planting. We ran landscape simulations of these two management scenarios under climate projections from ten global climate models to quantify how active management would alter forest carbon dynamics as a function of changing climate and wildfire. We found that the prescribed fire and plant scenario increased total ecosystem carbon (TEC) over our no‐management scenario by over 20 Mg C/m2by late century. Despite the differences inTEC, differences in net ecosystem exchange were not realized over the entire simulation. The primary drivers ofTECdifferences were sustained carbon uptake and lower carbon loss to wildfire in the prescribed fire and plant scenario. Our results demonstrate that under projected climate, managing to reduce the impacts of fire and planting climate‐adapted species can increase the mitigation potential of these forests.
Approximate Synthesis of a Higher‐Order Passive Complex Coefficient Filter Using Autotransformers
Authors: YAMOTO DAIKI , SHOUNO KAZUHIRO 
Published: April 2018

SUMMARYIn this paper, a new method for synthesizing a higher‐order passive complex filter using autotransformers is proposed. The proposed filter can be synthesized approximately by transforming the conventional one. Since the proposed transformation replaces all transformers with autotransformers, the proposed filter has no floating windings. As examples, both first‐order and third‐order complex filters are synthesized. The validity of the proposed method was confirmed through computer simulation and experiment. Due to approximate synthesis, the transfer function of the real output is different from that of the imaginary output. However, both of them have roughly the same response near the passband. Experimental results show good agreement with the theoretical value. It means that the proposed method is valid for the practical application.
Motion Planning by T‐RRT with Potential Function for Vertical Articulated Robots
Authors: KABUTAN RYO , NISHIDA TAKESHI 
Published: April 2018

SUMMARYRRT (rapidly exploring random tree) with random sampling is an effective method for path planning, and is often used for robot manipulators. The RRT has many modified methods for applying various problems and conditions. Particularly, T‐RRT (Transition‐based RRT) one of those has advantage that it is able to adopt arbitrary evaluation function. In this paper, a novel path planning method based on the T‐RRT is proposed for ensuring “quality” of a generated path. Then, its effectiveness is evaluated via comparison with other sampling‐based methods using simulation of the industrial robot having seven DOFs.