bluuebunny/crossref_metadata_2025_split huggingface dataset:
Thermodynamics of Anion Binding by Chalcogen Bonding Receptors
Authors: Lim Jason Y. C. , Liew Jane Y. , Beer Paul D. 
Published: August 2018

AbstractThe application of chalcogen bonding (ChB) to anion recognition is an underdeveloped area of host–guest supramolecular chemistry. The chemical instability of heavier chalcogen derivatives may in part be responsible for the lack of progress. Herein, the synthesis of a new structurally simple, tellurium‐based ChB binding motif is reported, the robust stability of which has enabled the thermodynamic properties for ChB halide anion binding in polar aprotic and wet protic organic solvent media to be elucidated. The thermodynamic data reveals how the subtle interplay between ChB host, anion guest and solvent dictates halide binding selectivity and affinity trends. These findings help to provide a deeper insight into the nature of the ChB–anion interaction.
Accelerating multi‐dimensional interpolation using moving least‐squares on the GPU
Authors: Ding Zengyu , Mei Gang , Cuomo Salvatore , Tian Hong , Xu Nengxiong 
Published: August 2018

SummaryThis paper focuses on designing and implementing parallel Moving Least Squares (MLS) interpolation algorithms by exploiting the Graphics Processing Unit (GPU) for the usage in Meshfree methods. The MLS method is an approach for scattered points' approximation / interpolation, which is commonly employed as the shape functions in various Meshfree methods. To improve the computational efficiency in building stiffness matrices in Meshfree methods, we are specifically interested in parallelizing the MLS interpolation on the GPU. The accelerated Meshfree methods can be employed to numerically analyze large deformations of soil and rock masses such as the landslides. In this paper, we first introduce our previously proposed method for finding the k nearest neighboring points located within the local region of the interest point in MLS. We then develop one sequential and three parallel implementations for each of three variations of the MLS interpolation, including the serial implementation, the parallel implementation on the multi‐core CPU, the parallel implementation on a single GPU, and the parallel implementation on multi‐GPUs. To evaluate the computational performance of our GPU implementations, five groups of benchmark tests are conducted in both two‐dimensions and three‐dimensions. We observe that our GPU implementations can achieve satisfied speedups over the sequential CPU implementation for varied sizes of testing data. To benefit the community, all source code and testing data related to the presented parallel MLS interpolation are publicly available.
Expected limits on the ocean acidification buffering potential of a temperate seagrass meadow
Authors: Koweek David A. , Zimmerman Richard C. , Hewett Kathryn M. , Gaylord Brian , Giddings Sarah N. , Nickols Kerry J. , Ruesink Jennifer L. , Stachowicz John J. , Takeshita Yuichiro , Caldeira Ken 
Published: August 2018

AbstractOcean acidification threatens many marine organisms, especially marine calcifiers. The only global‐scale solution to ocean acidification remains rapid reduction in CO2 emissions. Nevertheless, interest in localized mitigation strategies has grown rapidly because of the recognized threat ocean acidification imposes on natural communities, including ones important to humans. Protection of seagrass meadows has been considered as a possible approach for localized mitigation of ocean acidification due to their large standing stocks of organic carbon and high productivity. Yet much work remains to constrain the magnitudes and timescales of potential buffering effects from seagrasses. We developed a biogeochemical box model to better understand the potential for a temperate seagrass meadow to locally mitigate the effects of ocean acidification. Then we parameterized the model using data from Tomales Bay, an inlet on the coast of California, USA which supports a major oyster farming industry. We conducted a series of month‐long model simulations to characterize processes that occur during summer and winter. We found that average pH in the seagrass meadows was typically within 0.04 units of the pH of the primary source waters into the meadow, although we did find occasional periods (hours) when seagrass metabolism may modify the pH by up to ±0.2 units. Tidal phasing relative to the diel cycle modulates localized pH buffering within the seagrass meadow such that maximum buffering occurs during periods of the year with midday low tides. Our model results suggest that seagrass metabolism in Tomales Bay would not provide long‐term ocean acidification mitigation. However, we emphasize that our model results may not hold in meadows where assumptions about depth‐averaged net production and seawater residence time within the seagrass meadow differ from our model assumptions. Our modeling approach provides a framework that is easily adaptable to other seagrass meadows in order to evaluate the extent of their individual buffering capacities. Regardless of their ability to buffer ocean acidification, seagrass meadows maintain many critically important ecosystem goods and services that will be increasingly important as humans increasingly affect coastal ecosystems.
The effect of compression on Sphagnum hydrophysical properties: Implications for increasing hydrological connectivity in restored cutover peatlands
Authors: Gauthier Tasha‐Leigh J. , McCarter Colin P.R. , Price Jonathan S. 
Published: August 2018

AbstractSphagnum moss, a dominant peat‐forming species in northern peatlands, relies on capillary rise to sustain metabolic activities. However, in restored peatlands, a capillary barrier resulting from distinctly different pore‐size distributions in the degraded remnant cutover peat and regenerated Sphagnum moss limits capillary rise. Space‐for‐time analogues suggest it could take >40 years for decomposition and degradation of the moss profile to overcome this capillary barrier effect. This paper explores the feasibility of mechanical compression to ameliorate the capillary barrier effect and accelerate the return of ecohydrological function in restored Sphagnum moss. Seven reference cores (10 × 20 cm) and 29 samples (10 × 5 cm) representing various depths from surface (0–5 cm, n = 9; 5–10 cm, n = 9; 10–15 cm, n = 7; 15–20 cm, n = 4) were tested in a laboratory setting to analyse pre‐compression and post‐compression water retention‐unsaturated hydraulic conductivity relationships, proportion of macropores, and other hydrophysical parameters. Post‐compression, reference core moss height (originally 20 cm) decreased by 5.5 ± 1.2 cm, and sample bulk density increased, while porosity decreased (Wilcoxon signed rank test, p < 0.01). Increased water retention and subsequent increase in unsaturated hydraulic conductivity post‐compression was a result of a decrease in macropores (diameter > 75 μm). Simulation results with Hydrus‐1D indicate that the post‐compression moss profile was better suited to maintain pressure heads above critical values for photosynthesis. These findings suggest that mechanical compression may be used to ameliorate the capillary barrier effect in restored cutover peatlands; however, field scale studies are required.
Experimental shifts in phenology affect fitness, foraging, and parasitism in a native solitary bee
Authors: Farzan Shahla , Yang Louie H. 
Published: August 2018

AbstractPhenological shifts have been observed in a wide range of taxa, but the fitness consequences of these shifts are largely unknown, and we often lack experimental studies to assess their population‐level and evolutionary consequences. Here, we describe an experimental study to determine the fitness consequences of phenological shifts in blue orchard bee (Osmia lignaria) emergence, compare the measured seasonal fitness landscape with observed phenology in the unmanipulated population, and assess seasonal variation in key factors related to reproduction, foraging, and brood parasitism that were expected to affect the shape of the fitness landscape. By tracking individually marked females, we were able to estimate the lifetime fitness impacts of phenological advances and delays. We also measured parasitism risk, floral resource use, and nesting behavior to understand how each varies seasonally, and their combined effects on realized fitness. Survival to nesting decreased non‐monotonically throughout the season, with a 20.4% decline in survival rates between the first and second cohorts. The total reproductive output per maternal bee was 14.9% higher in the second cohort compared to the first, and 161% higher in the second cohort compared to the third. Combining seasonal patterns in survival and reproductive output, experimentally advanced females showed 30.6% higher fitness than bees released at the historic peak. In contrast, the nesting phenology of unmanipulated bees showed nearly equal numbers of nesting attempts in the first two cohorts. Both increased resource availability and reduced parasitism risk favored earlier emergence. These results are consistent with a population experiencing directional selection for earlier emergence, adaptive bet‐hedging, or developmental constraints. Our study offers insight into the fitness consequences of phenological shifts, the mechanisms affecting the fitness consequences of phenological shifts in a community context, and the potential for adaptive responses to climate change.
NK cell‐mediated anti‐leukemia cytotoxicity is enhanced using a NKG2D ligand MICA and anti‐CD20 scfv chimeric protein
Authors: Zou Yizhou , Luo Weiguang , Guo Jing , Luo Qizhi , Deng Mi , Lu Zhigang , Fang Yi , Zhang Cheng Cheng 
Published: August 2018

AbstractNK cells are important innate cytotoxic lymphocytes that have potential in treatment of leukemia. Engagement of NKG2D receptor on NK cells enhances the target cytotoxicity. Here, we produced a fusion protein consisting of the extracellular domain of the NKG2D ligand MICA and the anti‐CD20 single‐chain variable fragment (scfv). This recombinant protein is capable of binding both NK cells and CD20+ tumor cells. Using a human NKG2D reporter cell system we developed, we showed that this fusion protein could decorate CD20+ tumor cells with MICA extracellular domain and activate NK through NKG2D. We further demonstrated that this protein could specifically induce the ability of a NK cell line (NKL) and primary NK cells to lyse CD20+ leukemia cells. Moreover, we found that downregulation of surface HLA class I expression in the target cells improved NKL‐mediated killing. Our results demonstrated that this recombinant protein specifically lyses leukemia cells by NK cells, which may lead to development of a novel strategy for treating leukemia and other tumors.
BIM modelling in mined tunnelling – Discussions and recommendation for the structural geometry to be considered in 3D models
Authors: Frodl Stephan , Mayer Peter‐Michael 
Published: August 2018

AbstractIn the context of mined tunnelling, the excavation of the tunnel cross‐section is performed with an overcut. The size of the required overcut depends on the expected rock deformation as well as on typical construction tolerances. Likewise, secondary linings are also built with an overcut in order to account for formwork deformation, construction tolerances and deformation due to ground loads. On the other hand, clients usually specify the nominal tunnel geometry, which differs from the overcut geometries previously mentioned. When designing a tunnel according to the BIM method, it should be clarified which geometry should be used to create the geometrical model, since deviations between the target and the overcut geometry can be considerable. To generate a drawing derived directly from the 3D BIM model for tunnel construction use, it is imperative that the geometrical model is created based on the overcut geometry. Only then can the reinforcement quantity or formwork be designed correctly. Only a model based on overcut geometries will yield the correct theoretical masses, which for example could be used for target‐actual comparisons. This article outlines the basics of the current 2D design approach; its technical limits are presented and contrasted with the proposed 3D design model. The article further shows how a 3D BIM design model has to be created so that 2D drawings for construction can be derived or created from it. In addition, general recommendations are provided for creation of BIM geometrical models.
Using reanalysis‐driven regional climate model outputs for hydrology modelling
Authors: Chen Jie , Brissette François P. , Chen Hua 
Published: August 2018

AbstractBias correction methods are usually applied to climate model outputs before using these outputs for hydrological climate change impact studies. However, the use of a bias correction procedure is debatable, due to the lack of physical basis and the bias nonstationarity of climate model outputs between future and historical periods. The direct use of climate model outputs for impact studies has therefore been recommended in a few studies. This study investigates the possibility of using reanalysis‐driven regional climate model (RCM) outputs directly for hydrological modelling by comparing the performance of bias‐corrected and nonbias‐corrected climate simulations in hydrological simulations over 246 watersheds in the Province of Québec, Canada. When using RCM outputs directly, the hydrological model is specifically calibrated using RCM simulations. Two evaluation metrics (Nash–Sutcliffe efficiency [NSE] and transformed root mean square error [TRMSE]) and three hydrological indicators (mean, high, and low flows) are used as criteria for this comparison. Two reanalysis‐driven RCMs with resolutions of 45 km and 15 km are used to investigate the scale effect of climate model simulations and bias correction approaches on hydrology modelling. The results show that nonbias‐corrected simulations perform better than bias‐corrected simulations for the reproduction of the observed streamflows when using NSE and TRMSE as criteria. The nonbias‐corrected simulations are also better than or comparable with the bias‐corrected simulations in terms of reproducing the three hydrological indicators. These results imply that the raw RCM outputs driven by reanalysis can be used directly for hydrological modelling with a specific calibration of hydrological models using these datasets when gauged observations are scarce or unavailable. The nonbias‐corrected simulations (at a minimum) should be provided to end users, along with the bias‐corrected ones, especially for studying the uncertainty of hydrological climate change impacts. This is especially true when using an RCM with a high resolution, since the scale effect is observed when the RCM resolution increases from a 45‐km to a 15‐km scale.
A note on bank loan officers' expectations for credit standards: Evidence from the European bank lending survey
Authors: Anastasiou Dimitrios , Drakos Konstantinos 
Published: August 2018

AbstractWe employ quarterly credit standards data from the Bank Lending Survey, covering 14 EU countries for the period 2003 Q1 to 2016 Q1. By linking consecutive surveys and utilizing loan officers' responses regarding actual and expected credit standards, we set out to investigate which expectations formation mechanism best describes loan officers' expectations. According to our findings, bank loan officers' expectations are compatible with the adaptive expectations mechanism.
Circulating long noncoding RNA ANRIL downregulation correlates with increased risk, higher disease severity and elevated pro‐inflammatory cytokines in patients with acute ischemic stroke
Authors: Feng Lijuan , Guo Jun , Ai Fen 
Published: August 2018

BackgroundTo investigate the correlation of plasma lncRNA ANRIL expression with stroke risk, severity and inflammatory cytokines levels in acute ischemic stroke (AIS) patients.MethodsA total of 126 AIS patients and 125 controls were consecutively recruited in this case‐control study. Blood samples from all participants were collected, and plasma was separated. Plasma lncRNA ANRIL expression was quantified by quantitative real‐time polymerase chain reaction (qRT‐PCR). Plasma tumor necrosis factor‐α (TNF‐α) and interleukin (IL)‐1β (IL‐1β), IL‐6, IL‐8, IL‐10, and IL‐17 levels were measured by enzyme‐linked immunosorbent assay (ELISA). National Institutes of Health Stroke Scale (NIHSS) scores were used to assess the stroke severity in AIS patients.ResultsPlasma lncRNA ANRIL expression was lower in AIS patients than in controls (P < 0.001), and the receiver operating characteristic (ROC) curve showed a good prediction value of lncRNA ANRIL for AIS risk with area under curve (AUC) of 0.759 (95% CI: 0.741‐0.849). In addition, lncRNA ANRIL expression was negatively correlated with NIHSS score (r = −0.351, P < 0.001). Furthermore, while lncRNA ANRIL expression was negatively associated with hs‐CRP level (r = −0.247, P = 0.005), no correlation was found between lncRNA ANRIL expression and ESR level (P = 0.619). For inflammatory cytokines, lncRNA ANRIL expression was inversely associated with TNF‐α (r = −0.216, P = 0.015) and IL‐6 levels (r = −0.326, P < 0.001), while it positively correlated with IL‐10 level (r = 0.210, P = 0.018).ConclusionCirculating lncRNA ANRIL downregulation correlates with increased stroke risk, higher disease severity and elevated inflammation in AIS patients.
CYP2D6 allele frequencies, copy number variants, and tandems in the population of Hong Kong
Authors: Chan Wing , Li Man S. , Sundaram Senthil K. , Tomlinson Brian , Cheung Pik Y. , Tzang Chi H. 
Published: August 2018

BackgroundCYP2D6 plays a crucial role in drug metabolism of several drugs. It is known to be highly polymorphic with enzymatic activity ranging from poor to ultrarapid metabolic rates. While the frequencies of CYP2D6 alleles are generally known in different Asian populations, data on frequencies of the copy number variations (CNV) and tandems in CYP2D6 in which they occur are less well studied in these populations.MethodsA cohort of 800 consecutive, unrelated individuals were referred to Prenetics Limited (Prenetics) iGenes test by physicians in Hong Kong as part of their care with informed consent. These clinical samples were deidentified prior to further analysis. Genotyping and copy number determination of CYP2D6 were performed using target specific TaqMan® SNP genotyping and copy number assays. The phenotypes of CYP2D6 were predicted based on its genotypes and is dependent on the biallelic expression of alleles.ResultsAmong the Asian group (n = 735, 92%), the observed frequency of CYP2D6*36‐*10 tandems was 34.1%. We also identified duplication of CYP2D6 alleles in 86 (11.7%) individuals of the study cohort. The frequency of all CYP2D6 duplicated alleles was 154 (10.5%) while only 28 (1.9%) of the duplications were of functional alleles (ie CYP2D6*1 and CYP2D6*2).ConclusionThe present study provides a comprehensive analysis on the occurrences of CNV and tandems of the CYP2D6 gene in the Hong Kong population. The results contribute to the overall knowledge of pharmacogenomics and may accelerate the implementation of precision medicine in Asia.
Aerated extraction columns for in situ separation of bio‐based diamines from cell suspensions
Authors: Bednarz Andreas , Jupke Andreas , Spieß Antje C , Pfennig Andreas 
Published: August 2018

AbstractBackgroundExtraction is the method of choice for separating sensitive products. For example, it has been applied in aromatics and rare‐earth metal separation. Recently, biotechnological processes entered the field of bulk chemicals and might benefit from process intensification by in situ extraction of inhibiting products, however in the presence of cells and/or aeration. This study applies reactive extraction of the polyamide monomer hexane‐1,6‐diamine from cell‐containing medium.ResultsTo prove technical feasibility of this reactive extraction, simulation of the extraction column based on single‐drop measurements was validated at pilot‐scale. Simulated results show good accordance with experimental data with an error below 20%. The extraction column was subsequently used as a bioreactor with integrated aeration and product extraction applying a four‐phase system investigating the effect on drop distributions and holdup of the dispersed phases. Interestingly, aeration increased the holdup up to five‐fold and decreased the mean drop size of the organic extractive phase by 30%, thereby potentially improving extraction efficiency.ConclusionThe ReDrop simulation tool is capable of predicting challenging separation processes like the reactive extraction of hexane‐1,6‐diamine with D2EHPA diluted in oleyl alcohol from a biotransformation medium. The process design enabled four‐phase operation of the column with aeration, extractive organic phase and cell‐containing continuous aqueous phase. © 2018 Society of Chemical Industry
Application of 2‐hydroxy‐1,4‐naphthoquinone‐ graphene oxide (HNQ‐GO) composite as recyclable catalyst to enhance Cr(VI) reduction by Shewanella xiamenensis
Authors: Li Yixin , Luo Qingliu , Li Hua , Chen Zheng , Shen Liang , Peng Yajuan , Wang Haitao , He Ning , Li Qingbiao , Wang Yuanpeng 
Published: August 2018

AbstractBACKGROUNDMicrobial reduction of Cr(VI) has been demonstrated as an environmentally friendly remediation protocol in recent years. In this study, the catalytic capability of soluble quinone compounds [i.e. anthraquinone‐2,6‐disulphonate (AQDS), 2‐hydroxy‐1,4‐naphthoquinone (HNQ) and ubiquinone (CoQ)] as well as an immobilized HNQ‐graphene oxide (GO) composite were evaluated for their ability to mediate Cr(VI) bioreduction by Shewanella xiamenensis. Additionally, the mechanism for Cr(VI) bioreduction was rigorously explored.RESULTAt a test concentration of 0.02 mmol L−1, HNQ exhibited the highest efficiency for catalysing Cr(VI) bioreduction compared to AQDS and CoQ. During a 48 h test period, the highest removal efficiency (100%) of Cr(VI) (50 mg L−1) was exhibited in the presence of 0.015 mmol L−1 HNQ compared to biotic supplementations with 0.005, 0.010 and 0.020 mmol L−1 of HNQ. Furthermore, supplementation with 13.0 mg HNQ‐GO composite greatly enhanced Cr(VI) bioreduction compared to the biotic assay without any quinone compounds. Specifically, complete reduction of Cr(VI) was found in the first reaction cycle (following 72 h), compared to < 26% Cr(VI) reduction observed in the control group under the same reaction time. Moreover, HNQ‐GO composite was recovered and reused up to three times resulting in a ∼20% loss of catalytic efficacy during the third use. In the presence of HNQ‐GO composite, Cr(VI) bioreduction resulted predominantly from the enhancement of extracellular electron transfer mediated by HNQ and partly due to intracellular electron transfer processes occurring in the special metal respiratory system.CONCLUSIONOur findings provide a promising alternative technology for remediating Cr(VI)‐polluted wastewater. © 2018 Society of Chemical Industry