bluuebunny/crossref_metadata_2025_split huggingface dataset:
High-entropy high-hardness metal carbides discovered by entropy descriptors
Authors: Sarker Pranab , Harrington Tyler , Toher Cormac , Oses Corey , Samiee Mojtaba , Maria Jon-Paul , Brenner Donald W. , Vecchio Kenneth S. , Curtarolo Stefano 
Published: November 2018

AbstractHigh-entropy materials have attracted considerable interest due to the combination of useful properties and promising applications. Predicting their formation remains the major hindrance to the discovery of new systems. Here we propose a descriptor—entropy forming ability—for addressing synthesizability from first principles. The formalism, based on the energy distribution spectrum of randomized calculations, captures the accessibility of equally-sampled states near the ground state and quantifies configurational disorder capable of stabilizing high-entropy homogeneous phases. The methodology is applied to disordered refractory 5-metal carbides—promising candidates for high-hardness applications. The descriptor correctly predicts the ease with which compositions can be experimentally synthesized as rock-salt high-entropy homogeneous phases, validating the ansatz, and in some cases, going beyond intuition. Several of these materials exhibit hardness up to 50% higher than rule of mixtures estimations. The entropy descriptor method has the potential to accelerate the search for high-entropy systems by rationally combining first principles with experimental synthesis and characterization.
Cryo-EM structures of KdpFABC suggest a K+ transport mechanism via two inter-subunit half-channels
Authors: Stock C. , Hielkema L. , Tascón I. , Wunnicke D. , Oostergetel G. T. , Azkargorta M. , Paulino C. , Hänelt I. 
Published: November 2018

AbstractP-type ATPases ubiquitously pump cations across biological membranes to maintain vital ion gradients. Among those, the chimeric K+ uptake system KdpFABC is unique. While ATP hydrolysis is accomplished by the P-type ATPase subunit KdpB, K+ has been assumed to be transported by the channel-like subunit KdpA. A first crystal structure uncovered its overall topology, suggesting such a spatial separation of energizing and transporting units. Here, we report two cryo-EM structures of the 157 kDa, asymmetric KdpFABC complex at 3.7 Å and 4.0 Å resolution in an E1 and an E2 state, respectively. Unexpectedly, the structures suggest a translocation pathway through two half-channels along KdpA and KdpB, uniting the alternating-access mechanism of actively pumping P-type ATPases with the high affinity and selectivity of K+ channels. This way, KdpFABC would function as a true chimeric complex, synergizing the best features of otherwise separately evolved transport mechanisms.
Systematic review of indoor residual spray efficacy and effectiveness against Plasmodium falciparum in Africa
Authors: Sherrard-Smith Ellie , Griffin Jamie T. , Winskill Peter , Corbel Vincent , Pennetier Cédric , Djénontin Armel , Moore Sarah , Richardson Jason H. , Müller Pie , Edi Constant , Protopopoff Natacha , Oxborough Richard , Agossa Fiacre , N’Guessan Raphael , Rowland Mark , Churcher Thomas S. 
Published: November 2018

AbstractIndoor residual spraying (IRS) is an important part of malaria control. There is a growing list of insecticide classes; pyrethroids remain the principal insecticide used in bednets but recently, novel non-pyrethroid IRS products, with contrasting impacts, have been introduced. There is an urgent need to better assess product efficacy to help decision makers choose effective and relevant tools for mosquito control. Here we use experimental hut trial data to characterise the entomological efficacy of widely-used, novel IRS insecticides. We quantify their impact against pyrethroid-resistant mosquitoes and use a Plasmodium falciparum transmission model to predict the public health impact of different IRS insecticides. We report that long-lasting IRS formulations substantially reduce malaria, though their benefit over cheaper, shorter-lived formulations depends on local factors including bednet use, seasonality, endemicity and pyrethroid resistance status of local mosquito populations. We provide a framework to help decision makers evaluate IRS product effectiveness.
Exchange coupling torque in ferrimagnetic Co/Gd bilayer maximized near angular momentum compensation temperature
Authors: Bläsing Robin , Ma Tianping , Yang See-Hun , Garg Chirag , Dejene Fasil Kidane , N’Diaye Alpha T , Chen Gong , Liu Kai , Parkin Stuart S. P. 
Published: November 2018

AbstractHighly efficient current-induced motion of chiral domain walls was recently demonstrated in synthetic antiferromagnetic (SAF) structures due to an exchange coupling torque (ECT). The ECT derives from the antiferromagnetic exchange coupling through a ruthenium spacer layer between the two perpendicularly magnetized layers that comprise the SAF. Here we report that the same ECT mechanism applies to ferrimagnetic bi-layers formed from adjacent Co and Gd layers. In particular, we show that the ECT is maximized at the temperature TA where the Co and Gd angular momenta balance each other, rather than at their magnetization compensation temperature TM. The current induced velocity of the domain walls is highly sensitive to longitudinal magnetic fields but we show that this not the case near TA. Our studies provide new insight into the ECT mechanism for ferrimagnetic systems. The high efficiency of the ECT makes it important for advanced domain wall based spintronic devices.
Characterisation of the British honey bee metagenome
Authors: Regan Tim , Barnett Mark W. , Laetsch Dominik R. , Bush Stephen J. , Wragg David , Budge Giles E. , Highet Fiona , Dainat Benjamin , de Miranda Joachim R. , Watson Mick , Blaxter Mark , Freeman Tom C. 
Published: November 2018

AbstractThe European honey bee (Apis mellifera) plays a major role in pollination and food production. Honey bee health is a complex product of the environment, host genetics and associated microbes (commensal, opportunistic and pathogenic). Improved understanding of these factors will help manage modern challenges to bee health. Here we used DNA sequencing to characterise the genomes and metagenomes of 19 honey bee colonies from across Britain. Low heterozygosity was observed in many Scottish colonies which had high similarity to the native dark bee. Colonies exhibited high diversity in composition and relative abundance of individual microbiome taxa. Most non-bee sequences were derived from known honey bee commensal bacteria or pathogens. However, DNA was also detected from additional fungal, protozoan and metazoan species. To classify cobionts lacking genomic information, we developed a novel network analysis approach for clustering orphan DNA contigs. Our analyses shed light on microbial communities associated with honey bees and demonstrate the power of high-throughput, directed metagenomics for identifying novel biological threats in agroecosystems.
Unicolored phosphor-sensitized fluorescence for efficient and stable blue OLEDs
Authors: Heimel Paul , Mondal Anirban , May Falk , Kowalsky Wolfgang , Lennartz Christian , Andrienko Denis , Lovrincic Robert 
Published: November 2018

AbstractImproving lifetimes and efficiencies of blue organic light-emitting diodes is clearly a scientific challenge. Towards solving this challenge, we propose a unicolored phosphor-sensitized fluorescence approach, with phosphorescent and fluorescent emitters tailored to preserve the initial color of phosphorescence. Using this approach, we design an efficient sky-blue light-emitting diode with radiative decay times in the submicrosecond regime. By changing the concentration of fluorescent emitter, we show that the lifetime is proportional to the reduction of the radiative decay time and tune the operational stability to lifetimes of up to 320 h (80% decay, initial luminance of 1000 cd/m2). Unicolored phosphor-sensitized fluorescence provides a clear path towards efficient and stable blue light-emitting diodes, helping to overcome the limitations of thermally activated delayed fluorescence.
Excess charge-carrier induced instability of hybrid perovskites
Authors: Lin Yuze , Chen Bo , Fang Yanjun , Zhao Jingjing , Bao Chunxiong , Yu Zhenhua , Deng Yehao , Rudd Peter N. , Yan Yanfa , Yuan Yongbo , Huang Jinsong 
Published: November 2018

AbstractIdentifying the origin of intrinsic instability for organic–inorganic halide perovskites (OIHPs) is crucial for their application in electronic devices, including solar cells, photodetectors, radiation detectors, and light-emitting diodes, as their efficiencies or sensitivities have already been demonstrated to be competitive with commercial available devices. Here we show that free charges in OIHPs, whether generated by incident light or by current-injection from electrodes, can reduce their stability, while efficient charge extraction effectively stabilizes the perovskite materials. The excess of both holes and electrons reduce the activation energy for ion migration within OIHPs, accelerating the degradation of OIHPs, while the excess holes and electrons facilitate the migration of cations or anions, respectively. OIHP solar cells capable of efficient charge-carrier extraction show improved light stability under regular operation conditions compared to an open-circuit condition where the photo-generated charges are confined in the perovskite layers.
Predicting natural language descriptions of mono-molecular odorants
Authors: Gutiérrez E. Darío , Dhurandhar Amit , Keller Andreas , Meyer Pablo , Cecchi Guillermo A. 
Published: November 2018

AbstractThere has been recent progress in predicting whether common verbal descriptors such as “fishy”, “floral” or “fruity” apply to the smell of odorous molecules. However, accurate predictions have been achieved only for a small number of descriptors. Here, we show that applying natural-language semantic representations on a small set of general olfactory perceptual descriptors allows for the accurate inference of perceptual ratings for mono-molecular odorants over a large and potentially arbitrary set of descriptors. This is noteworthy given that the prevailing view is that humans’ capacity to identify or characterize odors by name is poor. We successfully apply our semantics-based approach to predict perceptual ratings with an accuracy higher than 0.5 for up to 70 olfactory perceptual descriptors, a ten-fold increase in the number of descriptors from previous attempts. These results imply that the semantic distance between descriptors defines the equivalent of an odorwheel.
Amino acids stimulate the endosome-to-Golgi trafficking through Ragulator and small GTPase Arl5
Authors: Shi Meng , Chen Bing , Mahajan Divyanshu , Boh Boon Kim , Zhou Yan , Dutta Bamaprasad , Tie Hieng Chiong , Sze Siu Kwan , Wu Geng , Lu Lei 
Published: November 2018

AbstractThe endosome-to-Golgi or endocytic retrograde trafficking pathway is an important post-Golgi recycling route. Here we show that amino acids (AAs) can stimulate the retrograde trafficking and regulate the cell surface localization of certain Golgi membrane proteins. By testing components of the AA-stimulated mTORC1 signaling pathway, we demonstrate that SLC38A9, v-ATPase and Ragulator, but not Rag GTPases and mTORC1, are essential for the AA-stimulated trafficking. Arl5, an ARF-like family small GTPase, interacts with Ragulator in an AA-regulated manner and both Arl5 and its effector, the Golgi-associated retrograde protein complex (GARP), are required for the AA-stimulated trafficking. We have therefore identified a mechanistic connection between the nutrient signaling and the retrograde trafficking pathway, whereby SLC38A9 and v-ATPase sense AA-sufficiency and Ragulator might function as a guanine nucleotide exchange factor to activate Arl5, which, together with GARP, a tethering factor, probably facilitates the endosome-to-Golgi trafficking.
Heart enhancers with deeply conserved regulatory activity are established early in zebrafish development
Authors: Yuan Xuefei , Song Mengyi , Devine Patrick , Bruneau Benoit G. , Scott Ian C. , Wilson Michael D. 
Published: November 2018

AbstractDuring the phylotypic period, embryos from different genera show similar gene expression patterns, implying common regulatory mechanisms. Here we set out to identify enhancers involved in the initial events of cardiogenesis, which occurs during the phylotypic period. We isolate early cardiac progenitor cells from zebrafish embryos and characterize 3838 open chromatin regions specific to this cell population. Of these regions, 162 overlap with conserved non-coding elements (CNEs) that also map to open chromatin regions in human. Most of the zebrafish conserved open chromatin elements tested drive gene expression in the developing heart. Despite modest sequence identity, human orthologous open chromatin regions recapitulate the spatial temporal expression patterns of the zebrafish sequence, potentially providing a basis for phylotypic gene expression patterns. Genome-wide, we discover 5598 zebrafish-human conserved open chromatin regions, suggesting that a diverse repertoire of ancient enhancers is established prior to organogenesis and the phylotypic period.
Adipocyte-secreted BMP8b mediates adrenergic-induced remodeling of the neuro-vascular network in adipose tissue
Authors: Pellegrinelli Vanessa , Peirce Vivian J. , Howard Laura , Virtue Samuel , Türei Dénes , Senzacqua Martina , Frontini Andrea , Dalley Jeffrey W. , Horton Antony R. , Bidault Guillaume , Severi Ilenia , Whittle Andrew , Rahmouni Kamal , Saez-Rodriguez Julio , Cinti Saverio , Davies Alun M. , Vidal-Puig Antonio 
Published: November 2018

AbstractActivation of brown adipose tissue-mediated thermogenesis is a strategy for tackling obesity and promoting metabolic health. BMP8b is secreted by brown/beige adipocytes and enhances energy dissipation. Here we show that adipocyte-secreted BMP8b contributes to adrenergic-induced remodeling of the neuro-vascular network in adipose tissue (AT). Overexpression of bmp8b in AT enhances browning of the subcutaneous depot and maximal thermogenic capacity. Moreover, BMP8b-induced browning, increased sympathetic innervation and vascularization of AT were maintained at 28 °C, a condition of low adrenergic output. This reinforces the local trophic effect of BMP8b. Innervation and vascular remodeling effects required BMP8b signaling through the adipocytes to 1) secrete neuregulin-4 (NRG4), which promotes sympathetic axon growth and branching in vitro, and 2) induce a pro-angiogenic transcriptional and secretory profile that promotes vascular sprouting. Thus, BMP8b and NRG4 can be considered as interconnected regulators of neuro-vascular remodeling in AT and are potential therapeutic targets in obesity.
High-speed AFM height spectroscopy reveals µs-dynamics of unlabeled biomolecules
Authors: Heath George R. , Scheuring Simon 
Published: November 2018

AbstractDynamics are fundamental to the functions of biomolecules and can occur on a wide range of time and length scales. Here we develop and apply high-speed AFM height spectroscopy (HS-AFM-HS), a technique whereby we monitor the sensing of a HS-AFM tip at a fixed position to directly detect the motions of unlabeled molecules underneath. This gives Angstrom spatial and microsecond temporal resolutions. In conjunction with HS-AFM imaging modes to precisely locate areas of interest, HS-AFM-HS measures simultaneously surface concentrations, diffusion coefficients and oligomer sizes of annexin-V on model membranes to decipher key kinetics allowing us to describe the entire annexin-V membrane-association and self-assembly process in great detail and quantitatively. This work displays how HS-AFM-HS can assess the dynamics of unlabeled bio-molecules over several orders of magnitude and separate the various dynamic components spatiotemporally.
Multidirectional desymmetrization of pluripotent building block en route to diastereoselective synthesis of complex nature-inspired scaffolds
Authors: Srinivasulu Vunnam , Schilf Paul , Ibrahim Saleh , Khanfar Monther A. , Sieburth Scott McN , Omar Hany , Sebastian Anusha , AlQawasmeh Raed A. , O’Connor Matthew John , Al-Tel Taleb H. 
Published: November 2018

AbstractOctahydroindolo[2,3-a]quinolizine ring system forms the basic framework comprised of more than 2000 distinct family members of natural products. Despite the potential applications of this privileged substructure in drug discovery, efficient, atom-economic and modular strategies for its assembly, is underdeveloped. Here we show a one-step build/couple/pair strategy that uniquely allows access to diverse octahydroindolo[2,3-a]quinolizine scaffolds with more than three contiguous chiral centers and broad distribution of molecular shapes via desymmetrization of the oxidative-dearomatization products of phenols. The cascade demonstrates excellent diastereoselectivity, and the enantioselectivity exceeded 99% when amino acids are used as chiral reagents. Furthermore, two diastereoselective reactions for the synthesis of oxocanes and piperazinones, is reported. Phenotypic screening of the octahydroindolo[2,3-a]quinolizine library identifies small molecule probes that selectively suppress mitochondrial membrane potential, ATP contents and elevate the ROS contents in hepatoma cells (Hepa1–6) without altering the immunological activation or reprogramming of T- and B-cells, a promising approach to cancer therapy.
Genetic variation in PTPN1 contributes to metabolic adaptation to high-altitude hypoxia in Tibetan migratory locusts
Authors: Ding Ding , Liu Guangjian , Hou Li , Gui Wanying , Chen Bing , Kang Le 
Published: November 2018

AbstractAnimal and human highlanders have evolved distinct traits to enhance tissue oxygen delivery and utilization. Unlike vertebrates, insects use their tracheal system for efficient oxygen delivery. However, the genetic basis of insect adaptation to high-altitude hypoxia remains unexplored. Here, we report a potential mechanism of metabolic adaptation of migratory locusts in the Tibetan Plateau, through whole-genome resequencing and functional investigation. A genome-wide scan revealed that the positively selected genes in Tibetan locusts are predominantly involved in carbon and energy metabolism. We observed a notable signal of natural selection in the gene PTPN1, which encodes PTP1B, an inhibitor of insulin signaling pathway. We show that a PTPN1 coding mutation regulates the metabolism of Tibetan locusts by mediating insulin signaling activity in response to hypoxia. Overall, our findings provide evidence for the high-altitude hypoxia adaptation of insects at the genomic level and explore a potential regulatory mechanism underlying the evolved metabolic homeostasis.
Structures of Coxsackievirus A10 unveil the molecular mechanisms of receptor binding and viral uncoating
Authors: Zhu Ling , Sun Yao , Fan Jinyan , Zhu Bin , Cao Lei , Gao Qiang , Zhang Yanjun , Liu Hongrong , Rao Zihe , Wang Xiangxi 
Published: November 2018

AbstractCoxsackievirus A10 (CVA10), a human type-A Enterovirus (HEV-A), can cause diseases ranging from hand-foot-and-mouth disease to polio-myelitis-like disease. CVA10, together with some other HEV-As, utilizing the molecule KREMEN1 as an entry receptor, constitutes a KREMEN1-dependent subgroup within HEV-As. Currently, there is no vaccine or antiviral therapy available for treating diseases caused by CVA10. The atomic-resolution structure of the CVA10 virion, which is within the KREMEN1-dependent subgroup, shows significant conformational differences in the putative receptor binding sites and serotype-specific epitopes, when compared to the SCARB2-dependent subgroup of HEV-A, such as EV71, highlighting specific differences between the sub-groups. We also report two expanded structures of CVA10, an empty particle and uncoating intermediate at atomic resolution, as well as a medium-resolution genome structure reconstructed using a symmetry-mismatch method. Structural comparisons coupled with previous results, reveal an ordered signal transmission process for enterovirus uncoating, converting exo-genetic receptor-attachment inputs into a generic RNA release mechanism.
Canopy mortality has doubled in Europe’s temperate forests over the last three decades
Authors: Senf Cornelius , Pflugmacher Dirk , Zhiqiang Yang , Sebald Julius , Knorn Jan , Neumann Mathias , Hostert Patrick , Seidl Rupert 
Published: November 2018

AbstractMortality is a key indicator of forest health, and increasing mortality can serve as bellwether for the impacts of global change on forest ecosystems. Here we analyze trends in forest canopy mortality between 1984 and 2016 over more than 30 Mill. ha of temperate forests in Europe, based on a unique dataset of 24,000 visually interpreted spectral trajectories from the Landsat archive. On average, 0.79% of the forest area was affected by natural or human-induced mortality annually. Canopy mortality increased by +2.40% year–1, doubling the forest area affected by mortality since 1984. Areas experiencing low-severity mortality increased more strongly than areas affected by stand-replacing mortality events. Changes in climate and land-use are likely causes of large-scale forest mortality increase. Our findings reveal profound changes in recent forest dynamics with important implications for carbon storage and biodiversity conservation, highlighting the importance of improved monitoring of forest mortality.
Genetic effects of BDKRB2 and KNG1 on deep venous thrombosis after orthopedic surgery and the potential mediator
Authors: Wang Qingfeng , Cheng Guoping , Wang Xiaohui , Wang Dandan , Yang Yanmei , Chen Ke , Ye Jiumin , Qing Zhong 
Published: November 2018

AbstractDeep venous thrombosis (DVT) is a common complication of orthopedic surgery. Genetic risk factors and high heritability carried a substantial risk of DVT. In this study, we aimed to investigate the potential association in the Han Chinese population between the polymorphisms of BDKRB2 and KNG1 and DVT after orthopedic surgery (DVTAOS). A total of 3,010 study subjects comprising 892 DVT cases and 2,118 controls were included in the study, and 39 single nucleotide polymorphisms (SNPs) in total (30 for BDKRB2 and 9 for KNG1) were chosen for genotyping. Two SNPs, rs710446 (OR = 1.27, P = 0.00016) and rs2069588 (OR = 1.29, P = 0.00056), were identified as significantly associated with DVTAOS. After adjusting for BMI, the significance of rs2069588 decreased (P = 0.0013). Haplotype analyses showed that an LD block containing rs2069588 significantly correlated with the DVTAOS risk. Moreover, bioinformatics analysis indicated that hsa-miR-758-5p and BDKRB2 formed miRNA/SNP target duplexes if the rs2069588 allele was in the T form, suggesting that rs2069588 may alter BDKRB2 expression by affecting hsa-miR-758-5p/single-nucleotide polymorphism target duplexes. Our results demonstrate additional evidence supporting that there is an important role for the KNG1 and BDKRB2 genes in the increased susceptibility of DVTAOS.