bluuebunny/crossref_metadata_2025_split huggingface dataset:
Identification of Phenylphthalazinones as a New Class of Leishmania infantum Inhibitors
Authors: Sijm Maarten , de Heuvel Erik , Matheeussen An , Caljon Guy , Maes Louis , Sterk Geert‐Jan , de Esch Iwan J. P. , Leurs Rob 
Published: November 2019

AbstractLeishmaniasis is a neglected parasitic disease caused by over 20 different Leishmania species. Current treatments often rely on harsh regimes of pentavalent antimonials such as sodium stibogluconate, while more recent drugs suffer other shortcomings such as low stability and rapid emergence of treatment failure, amongst others. Furthermore, the effectiveness of drugs varies depending on the infecting Leishmania species, thus there is an urgent need for new and effective anti‐leishmanial drugs. Screening of an in‐house compound library identified the hexahydrophthalazinone NPD‐2942 as a low micromolar hit with a pIC50 of 5.8 against L. infantum and a pIC50 of 4.6 for cytotoxicity against human MRC‐5 fibroblasts. To derive structure–activity relationships, we modified the cyclohexyl ring of the hexahydrophthalazinone scaffold and 1,2,3‐triazoles were attempted as replacement for the pyrazole ring, amongst others. Ultimately, the 2,3‐pyrazole‐substituted hexahydrophthalazinone NPD‐1289 was identified as the most potent analogue in this series with a pIC50 of 6.3, although some cytotoxicity toward MRC‐5 cells (pIC50=5.1) was recorded as well. Replacement of the unsubstituted 2,3‐pyrazole with 1,2,3‐triazoles led to compounds with lower anti‐leishmanial activity. The current scaffold is a valuable new starting point for optimization toward novel anti‐leishmanial drugs.
Structure–Function Studies on IMD‐0354 Identifies Highly Active Colistin Adjuvants
Authors: Nemeth Ansley M. , Basak Akash K. , Weig Alexander W. , Marrujo Santiana A. , Barker William T. , Jania Leigh A. , Hendricks Tyler A. , Sullivan Ashley E. , O'Connor Patrick M. , Melander Roberta J. , Koller Beverly H. , Melander Christian 
Published: November 2019

AbstractInfections caused by multidrug‐resistant (MDR) bacteria, particularly Gram‐negative bacteria, are an escalating global health threat. Often clinicians are forced to administer the last‐resort antibiotic colistin; however, colistin resistance is becoming increasingly prevalent, giving rise to the potential for a situation in which there are no treatment options for MDR Gram‐negative infections. The development of adjuvants that circumvent bacterial resistance mechanisms is a promising orthogonal approach to the development of new antibiotics. We recently disclosed that the known IKK‐β inhibitor IMD‐0354 potently suppresses colistin resistance in several Gram‐negative strains. In this study, we explore the structure–activity relationship (SAR) between the IMD‐0354 scaffold and colistin resistance suppression, and identify several compounds with more potent activity than the parent against highly colistin‐resistant strains of Acinetobacter baumannii and Klebsiella pneumoniae.
Plasma‐thrombin cell blocks: Potential source of DNA contamination
Authors: Sung Simon , Sireci Anthony N. , Remotti Helen E. , Hodel Vaishali , Mansukani Mahesh M. , Fernandes Helen , Saqi Anjali 
Published: November 2019

BackgroundCell blocks are being used more frequently in cytology for ancillary testing, including molecular diagnostics. There are several different methods of processing cell blocks, with plasma‐thrombin being one of the most common. Plasma is a blood‐derived product and may be a source of DNA. The aim of this study was to determine whether the plasma used for the plasma‐thrombin cell block method has amplifiable DNA that may potentially interfere with molecular testing results.MethodsExpired bags of fresh frozen plasma were collected from a blood bank. From each sample, DNA was extracted from a 1‐mL aliquot with the QIAsymphony MIDI kit (Qiagen). The concentration of DNA was measured on a NanoDrop instrument. The amplifiable DNA quality was assessed by polymerase chain reaction (PCR) with primers to generate amplicons of various sizes. Characterization was performed with the AmpFLSTR Identifiler Plus PCR kit with capillary electrophoresis.ResultsTwenty samples from 20 bags were collected. All samples showed amplifiable DNA despite low DNA concentrations in a few cases. PCR amplification revealed the presence of high‐quality amplifiable DNA (up to 600 base pairs). DNA was amplified at the 16 loci interrogated in all samples tested with the AmpFLSTR Identifiler Plus PCR kit.ConclusionsThe presence of genomic DNA in plasma may theoretically interfere with results of molecular testing. Particularly in clinical samples with low cellularity, the DNA in plasma may potentially either mask the presence of minute amounts of tumor‐derived DNA or lead to a false‐positive result.
Plasmon‐Enhanced Photoluminescence and Photocatalysis Reactions in Metal‐Semiconductor Nanomaterials: UV‐Generated Hot Electron in Gold‐Zinc Oxide
Authors: Shahine Issraa , Jradi Safi , Beydoun Nour , Gaumet Jean‐Jacques , Akil Suzanna 
Published: November 2019

AbstractHerein, we introduce a mechanistic study to design a hybrid junction in metallic‐semiconductor (M/SC) nanostructures. UV‐light‐induced hot electron generation in ZnO nanostructures is used to precisely tune the photoluminescence (PL) and photocatalytic (PC) properties in hybrid Au/ZnO nanomaterials. Both enhancement and quenching of the PL and PC functionalities are observed, depending on the properties of the Au nanoparticles (AuNPs) and the Au/ZnO molecular distance. Under UV irradiation free‐ligand AuNPs quench the luminescence of ZnONPs through direct charge transfer (CT) from ZnO to the AuNPs. In contrast, capped AuNPs enhance the ZnO emission through indirect CT from AuNPs to ZnONPs facilitated by the distance created by the CTAB ligand between both constituents of the hybrid systems. It is necessary to optimise the Au/ZnO molecular distance to achieve an enhancement of both the plasmonic photocatalysis reaction and photoelectric properties of M/SC nanostructures. This phenomena is mediated by the energy transfer (ET) from ZnONPs to AuNPs. The resulting PL enhancement is described by the plasmon‐induced resonance energy transfer effect (PIRET effect).
The relationship between emissions reduction and financial performance: Are Portuguese companies in a sustainable development path?
Authors: Robaina Margarita , Madaleno Mara 
Published: November 2019

AbstractCompanies are increasingly adopting strategies that simultaneously reduce their negative impact on the environment and minimize the extraction of natural and energy resources, used as inputs in their production process. The concern for the sustainable development of countries and regions and environmental sustainability of companies is increasingly present. Nevertheless, does it make up for the increased costs to protect the environment? The objective of this study is to evaluate how the environmental performance (EP) and the financial performance (FP) of companies are related, applying to the specific case of Portuguese companies during the 2008–2016 period. The relationship between pollution and FP reveals to be positive. Still, firms regard EP as additional costs, and these efforts do not seem to be strong enough to lead to a better FP. Both munificence and resource slack are included and reveal to have positive effects over FP and in the EP–FP relationship.HighlightsPollution and financial performance relationship is positive (negative EP‐FP link).Environmental performance are additional costs; firms favor financial performance.Munificence and slack have positive effects over financial performance.Munificent environments provide an opportunity for environmental investments.Scarce slack resources: less willingness to undertake social‐responsible actions.
Laser Fragmentation‐Induced Defect‐Rich Cobalt Oxide Nanoparticles for Electrochemical Oxygen Evolution Reaction
Authors: Yu Mingquan , Waag Friedrich , Chan Candace K. , Weidenthaler Claudia , Barcikowski Stephan , Tüysüz Harun 
Published: November 2019

AbstractSub‐5 nm cobalt oxide nanoparticles are produced in a flowing water system by pulsed laser fragmentation in liquid (PLFL). Particle fragmentation from 8 nm to 4 nm occurs and is attributed to the oxidation process in water where oxidative species are present and the local temperature is rapidly elevated under laser irradiation. Significantly higher surface area, crystal phase transformation, and formation of structural defects (Co2+ defects and oxygen vacancies) through the PLFL process are evidenced by detailed structural characterizations by nitrogen physisorption, electron microscopy, synchrotron X‐ray diffraction, and X‐ray photoelectron spectroscopy. When employed as electrocatalysts for the oxygen evolution reaction under alkaline conditions, the fragmented cobalt oxides exhibit superior catalytic activity over pristine and nanocast cobalt oxides, delivering a current density of 10 mA cm−2 at 369 mV and a Tafel slope of 46 mV dec−1, which is attributed to a larger exposed active surface area, the formation of defects, and an increased charge transfer rate. The study provides an effective approach to engineering cobalt oxide nanostructures in a flowing water system, which shows great potential for sustainable production of active cobalt catalysts.
Estimating correlations among demographic parameters in population models
Authors: Riecke Thomas V. , Sedinger Benjamin S. , Williams Perry J. , Leach Alan G. , Sedinger James S. 
Published: November 2019

AbstractEstimating correlations among demographic parameters is critical to understanding population dynamics and life‐history evolution, where correlations among parameters can inform our understanding of life‐history trade‐offs, result in effective applied conservation actions, and shed light on evolutionary ecology. The most common approaches rely on the multivariate normal distribution, and its conjugate inverse Wishart prior distribution. However, the inverse Wishart prior for the covariance matrix of multivariate normal distributions has a strong influence on posterior distributions. As an alternative to the inverse Wishart distribution, we individually parameterize the covariance matrix of a multivariate normal distribution to accurately estimate variances (σ2) of, and process correlations (ρ) between, demographic parameters. We evaluate this approach using simulated capture–mark–recapture data. We then use this method to examine process correlations between adult and juvenile survival of black brent geese marked on the Yukon–Kuskokwim River Delta, Alaska (1988–2014). Our parameterization consistently outperformed the conjugate inverse Wishart prior for simulated data, where the means of posterior distributions estimated using an inverse Wishart prior were substantially different from the values used to simulate the data. Brent adult and juvenile annual apparent survival rates were strongly positively correlated (ρ = 0.563, 95% CRI 0.181–0.823), suggesting that habitat conditions have significant effects on both adult and juvenile survival. We provide robust simulation tools, and our methods can readily be expanded for use in other capture–recapture or capture‐recovery frameworks. Further, our work reveals limits on the utility of these approaches when study duration or sample sizes are small.
Variation in community structure of gall‐inducing insects associated with a tropical plant supports the hypothesis of competition in stressful habitats
Authors: Ramos Letícia F. , Solar Ricardo R. C. , Santos Henrique T. , Fagundes Marcilio 
Published: November 2019

AbstractEnvironmental factors act as drivers of species coexistence or competition. Mesic environments favor the action of parasites and predators on gall communities, while the factors that determine the structure of gall communities in xeric environments remain unknown. We evaluated the structure of gall communities along an environmental gradient defined by intrinsic plant characteristics, soil fertility, and aridity, and investigated the role of competition as a structuring force of gall communities in xeric environments. We created null models to compare observed and simulated patterns of co‐occurrence of galls and used the C‐score index to assess community aggregation or segregation. We used the NES C‐score (standardized C‐score) to compare patterns of co‐occurrence with parameters of environmental quality. Xeric environments had poorer and more arid soils and more sclerophyllous plants than mesic environments, which was reflected in the distribution patterns of gall communities. Values of the C‐score index revealed a segregated distribution of gall morphospecies in xeric environments, but a random distribution in mesic environments. The low availability of resources for oviposition and the high density of gallers in xeric environments reinforce interspecific competition as an important structuring force for gall communities in these environments.
Accumulating evidence in ecology: Once is not enough
Authors: Nichols James D. , Kendall William L. , Boomer Gregory Scott 
Published: November 2019

AbstractMany published studies in ecological science are viewed as stand‐alone investigations that purport to provide new insights into how ecological systems behave based on single analyses. But it is rare for results of single studies to provide definitive results, as evidenced in current discussions of the “reproducibility crisis” in science. The key step in science is the comparison of hypothesis‐based predictions with observations, where the predictions are typically generated by hypothesis‐specific models. Repeating this step allows us to gain confidence in the predictive ability of a model, and its corresponding hypothesis, and thus to accumulate evidence and eventually knowledge. This accumulation may occur via an ad hoc approach, via meta‐analyses, or via a more systematic approach based on the anticipated evolution of an information state. We argue the merits of this latter approach, provide an example, and discuss implications for designing sequences of studies focused on a particular question. We conclude by discussing current data collection programs that are preadapted to use this approach and argue that expanded use would increase the rate of learning in ecology, as well as our confidence in what is learned.
Density‐dependent space use affects interpretation of camera trap detection rates
Authors: Broadley Kate , Burton A. Cole , Avgar Tal , Boutin Stan 
Published: November 2019

AbstractCamera traps (CTs) are an increasingly popular tool for wildlife survey and monitoring. Estimating relative abundance in unmarked species is often done using detection rate as an index of relative abundance, which assumes that detection rate has a positive linear relationship with true abundance. This assumption may be violated if movement behavior varies with density, but the degree to which movement behavior is density‐dependent across taxa is unclear. The potential confounding of population‐level relative abundance indices by movement would depend on how regularly, and by what magnitude, movement rate and home‐range size vary with density. We conducted a systematic review and meta‐analysis to quantify relationships between movement rate, home‐range size, and density, across terrestrial mammalian taxa. We then simulated animal movements and CT sampling to test the effect of contrasting movement scenarios on CT detection rate indices. Overall, movement rate and home‐range size were negatively correlated with density and positively correlated with one another. The strength of the relationships varied significantly between taxa and populations. In simulations, detection rates were related to true abundance but underestimated change, particularly for slower moving species with small home ranges. In situations where animal space use changes markedly with density, we estimate that up to thirty percent of a true change in relative abundance may be missed due to the confounding effect of movement, making trend estimation more difficult. The common assumption that movement remains constant across densities is therefore violated across a wide range of mammal species. When studying unmarked species using CT detection rates, researchers and managers should explicitly consider that such indices of relative abundance reflect both density and movement. Practitioners interpreting changes in camera detection rates should be aware that observed differences may be biased low relative to true changes in abundance. Further information on animal movement, or methods that do not depend on assumptions of density‐independent movement, may be required to make robust inferences on population trends.
Population genetic structure and adaptive differentiation of iron walnut Juglans regia subsp. sigillata in southwestern China
Authors: Sun Yi‐Wei , Hou Na , Woeste Keith , Zhang Chuchu , Yue Ming , Yuan Xiao‐Ying , Zhao Peng 
Published: November 2019

AbstractSouthwestern (SW) China is an area of active tectonism and erosion, yielding a dynamic, deeply eroded landscape that influences the genetic structure of the resident populations of plants and animals. Iron walnut (Juglans regia subsp. sigillata) is a deciduous tree species endemic to this region of China and cultivated there for its edible nuts. We sampled 36 iron walnut populations from locations throughout the species' range in SW China and genotyped a total of 765 individuals at five chloroplast DNA regions and 22 nuclear microsatellite loci. Species distribution models were produced to predict the evolution and historical biogeography of iron walnut and to estimate the impacts of climate oscillations and orographic environments on the species' demography. Our results indicated that J. regia subsp. sigillata had relatively low genetic diversity, high interpopulation genetic differentiation, and asymmetric interpopulation gene flow. Based on DIYABC analysis, we identified two lineages of J. sigillata in southwestern China. The lineages (subpopulations) diverge during the last glacial period (~1.34 Ma). Southwestern China was a glacial refuge during the last glacial period, but increasingly colder and arid climates might have fostered the fragmentation of J. regia subsp. sigillata within this refugium. Finally, we found that recent habitat fragmentation has led to a reduction in population connectivity and increased genetic differentiation by genetic drift in isolated populations. Our results support a conclusion that geological and climatic factors since the Miocene triggered the differentiation, evolutionary origin, and range shifts of J. sigillata in the studied region.
Links between prey assemblages and poison frog toxins: A landscape ecology approach to assess how biotic interactions affect species phenotypes
Authors: Prates Ivan , Paz Andrea , Brown Jason L. , Carnaval Ana C. 
Published: November 2019

AbstractEcological studies of species pairs showed that biotic interactions promote phenotypic change and eco‐evolutionary feedbacks. However, it is unclear how phenotypes respond to synergistic interactions with multiple taxa. We investigate whether interactions with multiple prey species explain spatially structured variation in the skin toxins of the neotropical poison frog Oophaga pumilio. Specifically, we assess how dissimilarity (i.e., beta diversity) of alkaloid‐bearing arthropod prey assemblages (68 ant species) and evolutionary divergence between frog populations (from a neutral genetic marker) contribute to frog poison dissimilarity (toxin profiles composed of 230 different lipophilic alkaloids sampled from 934 frogs at 46 sites). We find that models that incorporate spatial turnover in the composition of ant assemblages explain part of the frog alkaloid variation, and we infer unique alkaloid combinations across the range of O. pumilio. Moreover, we find that alkaloid variation increases weakly with the evolutionary divergence between frog populations. Our results pose two hypotheses: First, the distribution of only a few prey species may explain most of the geographic variation in poison frog alkaloids; second, different codistributed prey species may be redundant alkaloid sources. The analytical framework proposed here can be extended to other multitrophic systems, coevolutionary mosaics, microbial assemblages, and ecosystem services.
A global‐scale analysis of water storage dynamics of inland wetlands: Quantifying the impacts of human water use and man‐made reservoirs as well as the unavoidable and avoidable impacts of climate change
Authors: Döll Petra , Trautmann Tim , Göllner Mareike , Schmied Hannes Müller 
Published: November 2019

AbstractWetlands such as bogs, swamps, or freshwater marshes are hotspots of biodiversity. For 5.1 million km2 of inland wetlands, the dynamics of area and water storage, which strongly impact biodiversity and ecosystem services, were simulated using the global hydrological model WaterGAP. For the first time, the impacts of both human water use and man‐made reservoirs (WUR) and future climate change (CC) on wetlands around the globe were quantified. WUR impacts are concentrated in arid/semiarid regions, where WUR decreased mean wetland water storage by more than 5% on 8.2% of the mean wetland area during 1986–2005 (Am), with highest decreases in groundwater depletion area. Using output of three climate models, CC impacts on wetlands were quantified, distinguishing unavoidable impacts [i.e., at 2 °C global warming (GW)] from avoidable impacts (difference between 3 °C and 2 °C impacts). Even unavoidable CC impacts are projected to be much larger than WUR impacts, also in arid/semiarid regions. On most wetland area with reliable estimates, avoidable CC impacts are more than twice as large as unavoidable impacts. In case of 2 °C GW, half of Am is estimated to be unaffected by mean storage changes of more than 5%, but only one third in case of 3 °C GW. Temporal variability of water storage will increase for most wetlands. Wetlands in dry regions will be affected the most, particularly by water storage decreases in the dry season. Different from wealthier countries, low‐income countries will dominantly suffer from a decrease in wetland water storage due to CC.
Analysis of air/river maximum daily temperature characteristics using the peaks over threshold approach
Authors: Caissie Daniel , Ashkar Fahim , El‐Jabi Nassir 
Published: November 2019

AbstractThe understanding of river temperature is very important when assessing fish habitat conditions in terms of fish growth as well as fish distribution within river systems. The quantification of extreme water temperatures is also important, especially when studying the suitability of thermal habitats during high air/water temperature events. The present study deals with the analysis of extreme air and water temperatures using the partial duration series approach, also known as the peak over threshold (POT) approach. The advantage of the POT approach is that extreme air and water temperatures can be described not only in magnitude but also in duration and degree day accumulation for each event. In the present study, 74 years of air temperature data (Miramichi meteorological station) were analysed as well as 21 years of river temperature data from the Little Southwest Miramichi River. For example, results showed that the 0.01 exceedance probability (F(x) = .99) for maximum daily air temperature event was calculated at 38.4°C whereas for the same exceedance probability, the maximum daily water temperature event was slightly lower at 32.7°C. The duration of events varied between 1 and 5 days for air temperature and between 1 and 7 days for water temperature. Maximum daily water temperature exceeding 30°C generally occurred over a period of 3 days or more, and the degree day accumulation was higher than 6°C·day. This study showed that the POT approach was effective in quantifying both air and water temperature extremes within the Miramichi River study area.