bluuebunny/crossref_metadata_2025_split huggingface dataset:
Electrophilic [N—F]+ catalysed asymmetric allylation of (E)‐N,1‐diphenylmethanimine
Authors: Sharma Poonam , Sharma Rakesh K. 
Published: December 2018

AbstractNew efficient catalysts based on electrophilic N‐fluoro quaternary ammonium salts are reported for catalytic allylation of (E)‐N,1‐diphenylmethanimine. The chiral version of the catalyst based on cinchonidine (F‐CD‐BF4) shows high catalytic activity with approximately 94% ee and TOF (>800 h−1). The F‐CD‐BF4 is prepared from cinchonidine and Selectfluor by one‐step transfer fluorination.
The impact of state parity laws on copayments for and adherence to oral endocrine therapy for breast cancer
Authors: Chin Alexander L. , Bentley Jason P. , Pollom Erqi L. 
Published: December 2018

BackgroundAdherence to endocrine therapy for breast cancer is often inadequate, in part because of out‐of‐pocket costs for medication. Numerous states have enacted parity laws to limit patient cost‐sharing for oral anticancer drugs. The objective of this study was to estimate the impact of these laws on patient copayments for and adherence to oral endocrine therapy for breast cancer.MethodsAdministrative health insurance claims data from 2007 to 2014 derived from a US health care database were used to identify female patients aged 18 to 64 years with invasive cancer or ductal carcinoma in situ of the breast who initiated endocrine therapy and were enrolled in fully insured health plans in states that either enacted parity legislation between 2008 and 2013 or had not yet enacted such legislation by 2015. Differences‐in‐differences analysis was used to compare copayments for and adherence to endocrine therapy during the 1‐year period before and after each year of legislation enactment.ResultsIn total, 6900 individuals who received 7778 unique drug therapy courses were identified. Parity legislation was associated with significant decreases in the 25th percentile of copayments for anastrozole of $4.39 (95% confidence interval [CI], −$4.52 to −$4.26; P < .001) and for exemestane of $3.08 (95% CI, −$4.80 to −$1.35; P < .001). The median copayment for exemestane decreased by $10.25 (95% CI, −$12.61 to −$7.89; P < .001). A higher median monthly copayment was significantly associated with a greater risk of medication nonadherence (adjusted risk ratio, 1.006 per dollar increase; P < .001).ConclusionsParity laws had a modest effect on lowering the cost of anastrozole and exemestane, but more focused efforts to limit out‐of‐pocket costs for endocrine therapy may have a greater impact on medication adherence.
A performance evaluation of deep‐learnt features for software vulnerability detection
Authors: Ban Xinbo , Liu Shigang , Chen Chao , Chua Caslon 
Published: December 2018

SummarySoftware vulnerability is a critical issue in the realm of cyber security. In terms of techniques, machine learning (ML) has been successfully used in many real‐world problems such as software vulnerability detection, malware detection and function recognition, for high‐quality feature representation learning. In this paper, we propose a performance evaluation study on ML based solutions for software vulnerability detection, conducting three experiments: machine learning‐based techniques for software vulnerability detection based on the scenario of single type of vulnerability and multiple types of vulnerabilities per dataset; machine learning‐based techniques for cross‐project software vulnerability detection; and software vulnerability detection when facing the class imbalance problem with varying imbalance ratios. Experimental results show that it is possible to employ software vulnerability detection based on ML techniques. However, ML‐based techniques suffer poor performance on both cross‐project and class imbalance problem in software vulnerability detection.
Enhanced 1T′‐Phase Stabilization and Chemical Reactivity in a MoTe2 Monolayer through Contact with a 2D Ca2N Electride
Authors: Tang Qing 
Published: December 2018

AbstractAmong the widely studied 2D transition metal dichalcogenides (TMDs), MoTe2 has attracted special interest for phase‐change applications due to its small 2H‐1T′ energy difference, yet a large scale phase transition without structural disruption remains a significant challenge. Recently, an interesting long‐range phase engineering of MoTe2 has been realized experimentally by Ca2N electride. However, the interface formed between them has not been well understood, and moreover, it remains elusive how the presence of Ca2N would affect the basal plane reactivity of MoTe2. To address this, we performed density functional theory (DFT) calculations to investigate the potential of tuning the phase stability and chemical reactivity of a MoTe2 monolayer via interacting with Ca2N to form a van der Walls heterostructure. We found that the contact nature at the 2H‐MoTe2/Ca2N interface is Schottky‐barrier‐free, allowing for the spontaneous electron transfer from Ca2N to 2H‐MoTe2 to make it strongly n‐type doped. Moreover, Ca2N doping significantly lowers the energy of 1T′‐MoTe2 and dynamically triggers the 2H‐to‐1T′ transformation. The Ca2N‐induced phase modulation can also be applied to tune the phase energetics of MoS2 and MoSe2. Furthermore, using H adsorption as the testing ground, we also find that the H binding on the basal plane of MoTe2 is enhanced after forming heterostructure with Ca2N, potentially providing basis for surface modification and other related catalytic applications.
Integrating Catalysis of Methane Decomposition and Electrocatalytic Hydrogen Evolution with Ni/CeO2 for Improved Hydrogen Production Efficiency
Authors: Zhang Cai , Zhang Wei , Drewett Nicholas E. , Wang Xiyang , Yoo Seung Jo , Wang Haoxiang , Deng Ting , Kim Jin‐Gyu , Chen Hong , Huang Keke , Feng Shouhua , Zheng Weitao 
Published: December 2018

AbstractNi/CeO2 enables either methane decomposition or water electrolysis for pure hydrogen production. Ni/CeO2, prepared by a sol–gel method with only one heat treatment step, was used to catalyze methane decomposition for the generation of H2. The solid byproduct, Ni/CeO2/carbon nanotube (CNT), was further employed as an electrocatalyst in the hydrogen evolution reaction (HER) for H2 production. The Ni/CeO2 catalyst exhibits excellent activity for methane decomposition because CeO2 prevents carbon encapsulation of Ni nanoparticles during the preparation process and forms a special metal–support interface with Ni. The derived CNTs act as antenna to improve conductivity and promote the dispersion of agglomerated Ni/CeO2. In addition, they provide H2 diffusion paths and prevent Ni/CeO2 from peeling off the HER electrode. Although long‐term methane decomposition reduces the HER activity of Ni/CeO2/CNTs (owing to degradation of the delicate Ni/CeO2 interface), the tunable nature of the synthesis makes this an attractive sustainable approach to synthesize future high‐performance materials.
Assessment of plasma cell myeloma minimal residual disease testing by flow cytometry in an international inter‐laboratory study: Is it ready for primetime use?
Authors: Scott Stuart D. , Fletcher Matthew , Whitehouse Helen , Whitby Liam , Yuan Constance , Mazzucchelli Silvia , Lin Pei , de Tute Ruth , Dorwal Pranav , Wallace Paul K. , Tembhare Prashant , Arroz Maria , Snowden John A. , Chantry Andrew D. , Barnett David 
Published: December 2018

BackgroundMinimal/measurable residual disease (MRD) testing by flow cytometry (FC) has been proposed as a potential surrogate clinical endpoint in plasma cell myeloma (PCM) clinical trials. As a result, effort has gone into standardizing this approach on PCM patients.AimsTo assess inter‐laboratory variation in FC MRD testing of PCM patients in an independent inter‐laboratory study.MethodsA dilution series of five stabilized bone marrow samples manufactured to contain 0%, 0.1%, 0.01%, 0.001%, and 0.0001% neoplastic plasma cells (PCs) were tested blind, using standardized FC PCM MRD assays by 10 international laboratories.ResultsLaboratories' assays broadly adhered to the consensus guidelines; however, some deviations were identified in panel design, fluorochrome conjugates, and lysis reagents. Despite this, all laboratories that returned results detected neoplastic PCs down to 0.001% of leucocytes. 6/8 laboratories detected neoplastic PCs at a level of 0.0001%. Quantitative data returned by laboratories showed good consensus and linearity with increasing variation at lower levels of MRD. However, examples of analytical and post analytical error were identified.Summary/ConclusionBroadly standardized PCM MRD FC assays can attain the lower limit of detection (LOD) required by current and future clinical trials, an important consideration in establishing PCM MRD testing as a surrogate clinical marker in PCM clinical trials. Laboratories' assays showed good linearity, encouraging the prediction of survival based on log reduction in neoplastic PC populations in future clinical trials. However, the deviations from consensus guidelines identified in this study would suggest that if PCM MRD assays are further standardized interlaboratory variation could be reduced. © 2018 International Clinical Cytometry Society
Hungarian algorithm for subcarrier assignment problem using GPU and CUDA
Authors: Yadav Satyendra Singh , Lopes Paulo Alexandre Crisóstomo , Ilic Aleksandar , Patra Sarat Kumar 
Published: December 2018

SummaryGeneral purpose graphics processing units (GPGPUs) have gained much popularity in scientific computing to speedup computational intensive workloads. Resource allocation in terms of power and subcarriers assignment, in current wireless standards, is one of the challenging problems due to its high computational complexity requirement. The Hungarian algorithm (HA), which has been extensively applied to linear assignment problems (LAPs), has been seen to provide encouraging result in resource allocation for wireless communication systems. This paper presents a compute unified device architecture (CUDA) implementation of the HA on graphics processing unit (GPU) for this problem. HA has been implemented on a parallel architecture to solve the subcarrier assignment problem and maximize spectral efficiency. The proposed implementation is achieved by using the “Kuhn‐Munkres” algorithm with effective modifications, in order to fully exploit the capabilities of modern GPU devices. A cost matrix for maximum assignment has been defined leading to a low complexity matrix compression along with highly optimized CUDA reduction and parallel alternating path search process. All these optimizations lead to an efficient implementation with superior performance when compared with existing parallel implementations.
Comparative analysis of adaptive and neutral markers ofDrosophila mediopunctatapopulations dispersed among forest fragments
Authors: Batista Marcos R. D. , Penha Rafael E. S. , Sofia Silvia H. , Klaczko Louis B. 
Published: December 2018

AbstractComparison of adaptive and neutral genetic markers is a valuable approach to characterize the evolutionary consequences of populations living in environments threatened by anthropogenic disturbances, such as forest fragmentation. Shifts in allele frequencies, low genetic variability, and a small effective population size can be considered clear signs of forest fragmentation effects (due to genetic drift) over natural populations, while adaptive responses correlate with environmental variables. Brazilian Atlantic Forest had its landscape drastically reduced and fragmented. Now, several forest remnants are isolated from each other by urban and crop areas. We sampledDrosophila mediopunctatapopulations from eight forest remnants dispersed on two adjacent geomorphological regions, which are physiognomic and climatically quite distinct. Microsatellite data of inversion‐free chromosomes (neutral genetic marker) indicate low structuration among populations suggesting that they were panmictic and greatly influenced by gene flow. Moreover, significant differences in chromosomal inversion frequencies (adaptive genetic marker) among populations and their correlations with climatic and geographical variables indicate that genetic divergence among populations could be an adaptive response to their environment. Nonetheless, we observed a significant difference in inversion frequencies of a population in two consecutive years that may be associated with edge and demographic effects. Also, it may be reflecting seasonal changes of inversion frequencies influenced by great temperature variation due to edge effects. Moreover, the forest fragment size does not affect genetic variation of neutral markers. Our data indicate that despite oscillations in chromosomal inversion frequencies,D. mediopunctatapopulations from Brazilian Atlantic Forest and their divergence may be driven by adaptive factors to local differences, perhaps because it is a small flying insect easily carried by the wind increasing its migration rates.
A local evaluation of the individual state‐space to scale up Bayesian spatial capture–recapture
Authors: Milleret Cyril , Dupont Pierre , Bonenfant Christophe , Brøseth Henrik , Flagstad Øystein , Sutherland Chris , Bischof Richard 
Published: December 2018

AbstractSpatial capture–recapture models (SCR) are used to estimate animal density and to investigate a range of problems in spatial ecology that cannot be addressed with traditional nonspatial methods. Bayesian approaches in particular offer tremendous flexibility for SCR modeling. Increasingly, SCR data are being collected over very large spatial extents making analysis computational intensive, sometimes prohibitively so. To mitigate the computational burden of large‐scale SCR models, we developed an improved formulation of the Bayesian SCR model that uses local evaluation of the individual state‐space (LESS). Based on prior knowledge about a species’ home range size, we created square evaluation windows that restrict the spatial domain in which an individual's detection probability (detector window) and activity center location (AC window) are estimated. We used simulations and empirical data analyses to assess the performance and bias of SCR with LESS. LESS produced unbiased estimates of SCR parameters when the AC window width was ≥5σ (σ: the scale parameter of the half‐normal detection function), and when the detector window extended beyond the edge of the AC window by 2σ. Importantly, LESS considerably decreased the computation time needed for fitting SCR models. In our simulations, LESS increased the computation speed of SCR models up to 57‐fold. We demonstrate the power of this new approach by mapping the density of an elusive large carnivore—the wolverine (Gulo gulo)—with an unprecedented resolution and across the species’ entire range in Norway (> 200,000 km2). Our approach helps overcome a major computational obstacle to population and landscape‐level SCR analyses. The LESS implementation in a Bayesian framework makes the customization and fitting of SCR accessible for practitioners working at scales that are relevant for conservation and management.
Variations in age‐ and sex‐specific survival rates help explain population trend in a discrete marine mammal population
Authors: Arso Civil Mònica , Cheney Barbara , Quick Nicola J. , Islas‐Villanueva Valentina , Graves Jeff A. , Janik Vincent M. , Thompson Paul M. , Hammond Philip S. 
Published: December 2018

AbstractUnderstanding the drivers underlying fluctuations in the size of animal populations is central to ecology, conservation biology, and wildlife management. Reliable estimates of survival probabilities are key to population viability assessments, and patterns of variation in survival can help inferring the causal factors behind detected changes in population size. We investigated whether variation in age‐ and sex‐specific survival probabilities could help explain the increasing trend in population size detected in a small, discrete population of bottlenose dolphins Tursiops truncatus off the east coast of Scotland. To estimate annual survival probabilities, we applied capture–recapture models to photoidentification data collected from 1989 to 2015. We used robust design models accounting for temporary emigration to estimate juvenile and adult survival, multistate models to estimate sex‐specific survival, and age models to estimate calf survival. We found strong support for an increase in juvenile/adult annual survival from 93.1% to 96.0% over the study period, most likely caused by a change in juvenile survival. Examination of sex‐specific variation showed weaker support for this trend being a result of increasing female survival, which was overall higher than for males and animals of unknown sex. Calf survival was lower in the first than second year; a bias in estimating third‐year survival will likely exist in similar studies. There was some support first‐born calf survival being lower than for calves born subsequently. Coastal marine mammal populations are subject to the impacts of environmental change, increasing anthropogenic disturbance and the effects of management measures. Survival estimates are essential to improve our understanding of population dynamics and help predict how future pressures may impact populations, but obtaining robust information on the life history of long‐lived species is challenging. Our study illustrates how knowledge of survival can be increased by applying a robust analytical framework to photoidentification data.
Anti‐EF‐Tu IgG titers increase with age and may contribute to protection against the respiratory pathogen Haemophilus influenzae
Authors: Thofte Oskar , Kaur Ravinder , Su Yu‐Ching , Brant Marta , Rudin Anna , Hood Derek , Riesbeck Kristian 
Published: December 2018

AbstractNon‐typeable Haemophilus influenzae (NTHi) is a pathogen that commonly colonizes the nasopharynx of preschool children, causing opportunistic infections including acute otitis media (AOM). Patients suffering from chronic obstructive pulmonary disease (COPD) are persistently colonized with NTHi and occasionally suffer from exacerbations by the bacterium leading to increased morbidity. Elongation‐factor thermo unstable (EF‐Tu), a protein critical for bacterial protein synthesis, has been found to moonlight on the surface of several bacteria. Here, we show that antibodies against NTHi EF‐Tu were present in children already at 18 months of age, and that the IgG antibody titers increased with age. Children harboring NTHi in the nasopharynx also displayed significantly higher IgG concentrations. Interestingly, children suffering from AOM had significantly higher anti‐EF‐Tu IgG levels when NTHi was the causative agent. Human sera recognized mainly the central and C‐terminal part of the EF‐Tu molecule and peptide‐based epitope mapping confirmed similar binding patterns for sera from humans and immunized mice. Immunization of BALB/c and otitis‐prone Junbo (C3H/HeH) mice promoted lower infection rates in the nasopharynx and middle ear, respectively. In conclusion, our results suggest that IgG directed against NTHi EF‐Tu may play an important role in the host immune response against NTHi.
Post‐test Characterization of Metallic Materials and Adjacent Components in an SOFC Stack After 34,000 h Operation at 700 °C
Authors: Groß‐Barsnick S. M. , Fang Q. , Batfalsky P. , Niewolak L. , Blum L. , Quadakkers W. J. 
Published: December 2018

AbstractThe present paper describes the electrochemical results and the post exposure microstructural characterization by means of SEM/EDS of a four layer SOFC stack after 34,000 h operation under load at 700 °C, showing low voltage degradation rate less than 0.3% per 1,000 h. Emphasis was put on the behavior of the ferritic interconnect steel and its interaction with glass sealants as well as contacting and coating materials. The interconnect steel had formed thin protective chromia scales. Gas distributing steel foils of 200 µm showed in some locations breakaway type oxidation. It was related to local overheating caused by locally occurring combustion of a defective cell. The interaction of the steel with the glass sealant showed good adhesion. Interdiffusion at the joint between nickel contact and steel interconnect at the anode side resulted in minor oxide formation on the Ni wires and in austenite formation in the steel without formation of σ‐FeCr formation at the steel/austenite interface. The steel showed excellent compatibility with the Manganese‐Cobalt‐Ferrite (MCF) chromium retention coatings. Chromium enriched phases were found near the interface between MCF coating and perovskite contact layer. Excess glass sealing material interacted with the contact layer without showing obvious detrimental effects.
Modeling the Mechanical Integrity of Generic Solid Oxide Cell Stack Designs Exposed to Long‐term Operation
Authors: Molla T. T. , Kwok K. , Frandsen H. L. 
Published: December 2018

AbstractThermal cycling and creep in metallic interconnects during operation of solid oxide cell (SOC) stacks could cause contact losses in the interface between the interconnect and cells. The magnitude of stress and its distribution within the SOC stack depends on the overall design of the stack and the operating conditions. In this study, stresses in different types of generic SOC stack designs caused by external loading and temperature variations through long‐term operation are investigated. The investigation includes stack designs with and without contact components combined with machined (cross‐shaped) or pressed (corrugated) interconnects. Two different generic temperature profiles in the stacks are considered. Special focus is given to stresses that can cause possible delamination of the interconnect from the cell that subsequently leads to loss of electrical contact. It is found that too rigid designs cause high stresses and creep in the interconnects, and so‐called stress reversal will cause delamination between interconnect and cell during shut‐down. Furthermore, the study also presents the effect of SOC stack design and/or thermal gradient on the magnitude of in‐plane stresses in the cells. Here it is found that it advantageous to cool the stack primarily with convection, as this causes a linear thermal profile and much lower stresses than if cooling is relying on conduction in the solids, as this causes a thermal gradient in several directions.
Decoding vibrotactile choice independent of stimulus order and saccade selection during sequential comparisons
Authors: Wu Yuan‐hao , Velenosi Lisa A. , Schröder Pia , Ludwig Simon , Blankenburg Felix 
Published: December 2018

AbstractDecision‐making in the somatosensory domain has been intensively studied using vibrotactile frequency discrimination tasks. Results from human and monkey electrophysiological studies from this line of research suggest that perceptual choices are encoded within a sensorimotor network. These findings, however, rely on experimental settings in which perceptual choices are inextricably linked to sensory and motor components of the task. Here, we devised a novel version of the vibrotactile frequency discrimination task with saccade responses which has the crucial advantage of decoupling perceptual choices from sensory and motor processes. We recorded human fMRI data from 32 participants while they performed the task. Using a whole‐brain searchlight multivariate classification technique, we identify the left lateral prefrontal cortex and the oculomotor system, including the bilateral frontal eye fields (FEF) and intraparietal sulci, as representing vibrotactile choices. Moreover, we show that the decoding accuracy of choice information in the right FEF correlates with behavioral performance. Not only are these findings in remarkable agreement with previous work, they also provide novel fMRI evidence for choice coding in human oculomotor regions, which is not limited to saccadic decisions, but pertains to contexts where choices are made in a more abstract form.