bluuebunny/crossref_metadata_2025_split huggingface dataset:
Self-hydrogenated shell promoting photocatalytic H2 evolution on anatase TiO2
Authors: Lu Yue , Yin Wen-Jin , Peng Kai-Lin , Wang Kuan , Hu Qi , Selloni Annabella , Chen Fu-Rong , Liu Li-Min , Sui Man-Ling 
Published: July 2018

AbstractAs one of the most important photocatalysts, TiO2 has triggered broad interest and intensive studies for decades. Observation of the interfacial reactions between water and TiO2 at microscopic scale can provide key insight into the mechanisms of photocatalytic processes. Currently, experimental methodologies for characterizing photocatalytic reactions of anatase TiO2 are mostly confined to water vapor or single molecule chemistry. Here, we investigate the photocatalytic reaction of anatase TiO2 nanoparticles in water using liquid environmental transmission electron microscopy. A self-hydrogenated shell is observed on the TiO2 surface before the generation of hydrogen bubbles. First-principles calculations suggest that this shell is formed through subsurface diffusion of photo-reduced water protons generated at the aqueous TiO2 interface, which promotes photocatalytic hydrogen evolution by reducing the activation barrier for H2 (H–H bond) formation. Experiments confirm that the self-hydrogenated shell contains reduced titanium ions, and its thickness can increase to several nanometers with increasing UV illuminance.
Different population dynamics in the supplementary motor area and motor cortex during reaching
Authors: Lara A. H. , Cunningham J. P. , Churchland M. M. 
Published: July 2018

AbstractNeural populations perform computations through their collective activity. Different computations likely require different population-level dynamics. We leverage this assumption to examine neural responses recorded from the supplementary motor area (SMA) and motor cortex. During visually guided reaching, the respective roles of these areas remain unclear; neurons in both areas exhibit preparation-related activity and complex patterns of movement-related activity. To explore population dynamics, we employ a novel “hypothesis-guided” dimensionality reduction approach. This approach reveals commonalities but also stark differences: linear population dynamics, dominated by rotations, are prominent in motor cortex but largely absent in SMA. In motor cortex, the observed dynamics produce patterns resembling muscle activity. Conversely, the non-rotational patterns in SMA co-vary with cues regarding when movement should be initiated. Thus, while SMA and motor cortex display superficially similar single-neuron responses during visually guided reaching, their different population dynamics indicate they are likely performing quite different computations.
Molecular architecture of fungal cell walls revealed by solid-state NMR
Authors: Kang Xue , Kirui Alex , Muszyński Artur , Widanage Malitha C. Dickwella , Chen Adrian , Azadi Parastoo , Wang Ping , Mentink-Vigier Frederic , Wang Tuo 
Published: July 2018

AbstractThe high mortality of invasive fungal infections, and the limited number and inefficacy of antifungals necessitate the development of new agents with novel mechanisms and targets. The fungal cell wall is a promising target as it contains polysaccharides absent in humans, however, its molecular structure remains elusive. Here we report the architecture of the cell walls in the pathogenic fungus Aspergillus fumigatus. Solid-state NMR spectroscopy, assisted by dynamic nuclear polarization and glycosyl linkage analysis, reveals that chitin and α-1,3-glucan build a hydrophobic scaffold that is surrounded by a hydrated matrix of diversely linked β-glucans and capped by a dynamic layer of glycoproteins and α-1,3-glucan. The two-domain distribution of α-1,3-glucans signifies the dual functions of this molecule: contributing to cell wall rigidity and fungal virulence. This study provides a high-resolution model of fungal cell walls and serves as the basis for assessing drug response to promote the development of wall-targeted antifungals.
A diuranium carbide cluster stabilized inside a C80 fullerene cage
Authors: Zhang Xingxing , Li Wanlu , Feng Lai , Chen Xin , Hansen Andreas , Grimme Stefan , Fortier Skye , Sergentu Dumitru-Claudiu , Duignan Thomas J. , Autschbach Jochen , Wang Shuao , Wang Yaofeng , Velkos Giorgios , Popov Alexey A. , Aghdassi Nabi , Duhm Steffen , Li Xiaohong , Li Jun , Echegoyen Luis , Schwarz W. H. Eugen , Chen Ning 
Published: July 2018

AbstractUnsupported non-bridged uranium–carbon double bonds have long been sought after in actinide chemistry as fundamental synthetic targets in the study of actinide-ligand multiple bonding. Here we report that, utilizing Ih(7)-C80 fullerenes as nanocontainers, a diuranium carbide cluster, U=C=U, has been encapsulated and stabilized in the form of UCU@Ih(7)-C80. This endohedral fullerene was prepared utilizing the Krätschmer–Huffman arc discharge method, and was then co-crystallized with nickel(II) octaethylporphyrin (NiII-OEP) to produce UCU@Ih(7)-C80·[NiII-OEP] as single crystals. X-ray diffraction analysis reveals a cage-stabilized, carbide-bridged, bent UCU cluster with unexpectedly short uranium–carbon distances (2.03 Å) indicative of covalent U=C double-bond character. The quantum-chemical results suggest that both U atoms in the UCU unit have formal oxidation state of +5. The structural features of UCU@Ih(7)-C80 and the covalent nature of the U(f1)=C double bonds were further affirmed through various spectroscopic and theoretical analyses.
Mechanically tunable conductive interpenetrating network hydrogels that mimic the elastic moduli of biological tissue
Authors: Feig Vivian R. , Tran Helen , Lee Minah , Bao Zhenan 
Published: July 2018

AbstractConductive and stretchable materials that match the elastic moduli of biological tissue (0.5–500 kPa) are desired for enhanced interfacial and mechanical stability. Compared with inorganic and dry polymeric conductors, hydrogels made with conducting polymers are promising soft electrode materials due to their high water content. Nevertheless, most conducting polymer-based hydrogels sacrifice electronic performance to obtain useful mechanical properties. Here we report a method that overcomes this limitation using two interpenetrating hydrogel networks, one of which is formed by the gelation of the conducting polymer PEDOT:PSS. Due to the connectivity of the PEDOT:PSS network, conductivities up to 23 S m−1 are achieved, a record for stretchable PEDOT:PSS-based hydrogels. Meanwhile, the low concentration of PEDOT:PSS enables orthogonal control over the composite mechanical properties using a secondary polymer network. We demonstrate tunability of the elastic modulus over three biologically relevant orders of magnitude without compromising stretchability ( > 100%) or conductivity ( > 10 S m−1).
Small near-infrared photochromic protein for photoacoustic multi-contrast imaging and detection of protein interactions in vivo
Authors: Li Lei , Shemetov Anton A. , Baloban Mikhail , Hu Peng , Zhu Liren , Shcherbakova Daria M. , Zhang Ruiying , Shi Junhui , Yao Junjie , Wang Lihong V. , Verkhusha Vladislav V. 
Published: July 2018

AbstractPhotoacoustic (PA) computed tomography (PACT) benefits from genetically encoded probes with photochromic behavior, which dramatically increase detection sensitivity and specificity through photoswitching and differential imaging. Starting with a DrBphP bacterial phytochrome, we have engineered a near-infrared photochromic probe, DrBphP-PCM, which is superior to the full-length RpBphP1 phytochrome previously used in differential PACT. DrBphP-PCM has a smaller size, better folding, and higher photoswitching contrast. We have imaged both DrBphP-PCM and RpBphP1 simultaneously on the basis of their unique signal decay characteristics, using a reversibly switchable single-impulse panoramic PACT (RS-SIP-PACT) with a single wavelength excitation. The simple structural organization of DrBphP-PCM allows engineering a bimolecular PA complementation reporter, a split version of DrBphP-PCM, termed DrSplit. DrSplit enables PA detection of protein–protein interactions in deep-seated mouse tumors and livers, achieving 125-µm spatial resolution and 530-cell sensitivity in vivo. The combination of RS-SIP-PACT with DrBphP-PCM and DrSplit holds great potential for noninvasive multi-contrast deep-tissue functional imaging.
Modeling gene-regulatory networks to describe cell fate transitions and predict master regulators
Authors: Cholley Pierre-Etienne , Moehlin Julien , Rohmer Alexia , Zilliox Vincent , Nicaise Samuel , Gronemeyer Hinrich , Mendoza-Parra Marco Antonio 
Published: July 2018

AbstractComplex organisms originate from and are maintained by the information encoded in the genome. A major challenge of systems biology is to develop algorithms that describe the dynamic regulation of genome functions from large omics datasets. Here, we describe TETRAMER, which reconstructs gene-regulatory networks from temporal transcriptome data during cell fate transitions to predict “master” regulators by simulating cascades of temporal transcription-regulatory events.
Non-adaptive strategy selection in adults with high mathematical anxiety
Authors: Ashkenazi Sarit , Najjar Deema 
Published: July 2018

AbstractParticipants with mathematical anxiety (MA) tend to show particular difficulty in mathematical operations with high working memory (WM) demands compared to operations with lower WM demands. Accordingly, we examined strategy selection to test the cognitive mechanism underlying the observed weakness of high MA participants in mathematical operations with high WM demands. We compared two groups of college students with high or low MA, in the solution of simple non-carry addition problems (e.g., 54 + 63) and complex carryover addition problems (e.g., 59 + 63). The results indicated that high MA participants showed particular difficulty in the harder carry condition. Testing the strategy selection mechanism among high MA participants, we found in the carry condition 1) they used the common strategy less often compared to low MA participants and 2) employed unusual strategies more often compared to low MA participants. Therefore, high MA participants were less efficient in their strategy selection, which may be due to weaker spatial representations, numerical difficulties, or less experience solving complex problems. These primitive representations are not adaptive, and can negatively impact performance in math tasks with high WM demands.
Swimming of peritrichous bacteria is enabled by an elastohydrodynamic instability
Authors: Riley Emily E. , Das Debasish , Lauga Eric 
Published: July 2018

AbstractPeritrichously-flagellated bacteria, such as Escherichia coli, self-propel in fluids by using specialised motors to rotate multiple helical filaments. The rotation of each motor is transmitted to a short flexible segment called the hook which in turn transmits it to a flagellar filament, enabling swimming of the whole cell. Since multiple motors are spatially distributed on the body of the organism, one would expect the propulsive forces from the filaments to push against each other leading to negligible swimming. We use a combination of computations and theory to show that the swimming of peritrichous bacteria is enabled by an elastohydrodynamic bending instability occurring for hooks more flexible than a critical threshold. Using past measurements of hook bending stiffness, we demonstrate how real bacteria are safely on the side of the instability that promotes systematic swimming.
The influence of ontogenetic diet variation on consumption rate estimates: a marine example
Authors: Lawson Christopher L. , Suthers Iain M. , Smith James A. , Schilling Hayden T. , Stewart John , Hughes Julian M. , Brodie Stephanie 
Published: July 2018

AbstractConsumption rates are the foundation of trophic ecology, yet bioenergetics models used to estimate these rates can lack realism by not incorporating the ontogeny of diet. We constructed a bioenergetics model of a marine predatory fish (tailor, Pomatomus saltatrix) that incorporated high-resolution ontogenetic diet variation, and compared consumption estimates to those derived from typical bioenergetics models that do not consider ontogenetic diet variation. We found tailor consumption was over- or under-estimated by ~5–25% when only including the most common prey item. This error was due to a positive relationship between mean prey energy density and predator body size. Since high-resolution diet data isn’t always available, we also simulated how increasing dietary information progressively influenced consumption rate estimates. The greatest improvement in consumption rate estimates occurred when diet variation of 2–3 stanzas (1–2 juvenile stanzas, and adults) was included, with at least 5–6 most common prey types per stanza. We recommend increased emphasis on incorporating the ontogeny of diet and prey energy density in consumption rate estimates, especially for species with spatially segregated life stages or variable diets. A small-moderate increase in the resolution of dietary information can greatly benefit the accuracy of estimated consumption rates. We present a method of incorporating variable prey energy density into bioenergetics models.
Testing the feasibility of the startle-first route to deimatism
Authors: Holmes Grace G. , Delferrière Emeline , Rowe Candy , Troscianko Jolyon , Skelhorn John 
Published: July 2018

AbstractMany prey species perform deimatic displays that are thought to scare or startle would-be predators, or elicit other reflexive responses that lead to attacks being delayed or abandoned. The form of these displays differs among species, but often includes prey revealing previously-hidden conspicuous visual components. The evolutionary route(s) to deimatism are poorly understood, but it has recently been suggested that the behavioural component of the displays evolves first followed by a conspicuous visual component. This is known as the “startle-first hypothesis”. Here we use an experimental system in which naïve domestic chicks forage for artificial deimatic prey to test the two key predictions of this hypothesis: (1) that movement can deter predators in the absence of conspicuously coloured display components; and, (2) that the combination of movement and conspicuously coloured display components is more effective than movement alone. We show that both these predictions hold, but only when the movement is fast. We thus provide evidence for the feasibility of ‘the startle-first hypothesis’ of the evolution of deimatism.
Novel In-situ Precipitation Process to Engineer Low Permeability Porous Composite
Authors: Varanasi Swambabu , Garusinghe Uthpala , Simon George P , Garnier Gil , Batchelor Warren 
Published: July 2018

AbstractInspired by the natural precipitation of minerals in soil and rocks, a novel, simple and industrially scalable in-situ precipitation process to produce low permeability porous composites is presented. This process relies on capillary flow in wettable porous composites to absorb and store liquid. In this process, a porous composite first absorbs a salt solution, after which the composite is dipped in a second salt solution. Salts are selected such as they react to form an insoluble precipitate. As big pores absorb more liquid than small pores, the precipitated particles are formed specifically for each pore. In this paper, precipitation of CaCO3 nanoparticles in cellulose nanofibre (CNF) films was demonstrated as an example. Precipitation of 1 wt% of CaCO3 nanoparticles in the CNF film reduced the pore volume by 50%, without changing the density. This reduced the water vapour and oxygen transmission rates by one order of magnitude to 4.7 g/m2.day and 2.7 cc/m2.day, respectively. The barrier properties of in-situ precipitated composites showed superior performance to previously reported CNF films in literature. The concept is general and of very high industrial interest as it can easily be retrofitted to current continuous industrial processes.
Fully automatic liver segmentation combining multi-dimensional graph cut with shape information in 3D CT images
Authors: Lu Xuesong , Xie Qinlan , Zha Yunfei , Wang Defeng 
Published: July 2018

AbstractLiver segmentation is an essential procedure in computer-assisted surgery, radiotherapy, and volume measurement. It is still a challenging task to extract liver tissue from 3D CT images owing to nearby organs with similar intensities. In this paper, an automatic approach integrating multi-dimensional features into graph cut refinement is developed and validated. Multi-atlas segmentation is utilized to estimate the coarse shape of liver on the target image. The unsigned distance field based on initial shape is then calculated throughout the whole image, which aims at automatic graph construction during refinement procedure. Finally, multi-dimensional features and shape constraints are embedded into graph cut framework. The optimal liver region can be precisely detected with a minimal cost. The proposed technique is evaluated on 40 CT scans, obtained from two public databases Sliver07 and 3Dircadb1. The dataset Sliver07 is considered as the training set for parameter learning. On the dataset 3Dircadb1, the average of volume overlap is up to 94%. The experiment results indicate that the proposed method has ability to reach the desired boundary of liver and has potential value for clinical application.
Effect of surface and porosity of biochar on water holding capacity aiming indirectly at preservation of the Amazon biome
Authors: Batista Estela M. C. C. , Shultz Juliana , Matos Tassya T. S. , Fornari Mayara R. , Ferreira Thuany M. , Szpoganicz Bruno , de Freitas Rilton A. , Mangrich Antonio S. 
Published: July 2018

AbstractAs part of efforts to reduce pressure on the Amazon and other biomes, one approach considered by Brazilian authorities and scientists is more intensive use of the soils of the interior of the northeast of the country, which are generally sandy, with low contents of organic matter and low water holding capacity and are frequently affected by severe droughts. In this work, biochars produced from waste biomasses were tested for the improvement of these soils. The highest BET (Brunauer-Emmett-Teller) specific surface areas were observed for all biochars. In the pH range studied, the water hyacinth plants (WH) sample showed the most negative zeta potentials, as well as the highest water holding capacity (WHC) values, while the zeta potentials of two quartzarenic neosol soils were consistent with their WHC values. The results suggested that despite the effect of porosity on water retention, the zeta potential could be associated with the presence of negative charges by which hydrated cationic counterions were absorbed and retained. The surface energy and its polar and dispersive components were associated with water retention, with sugar cane bagasse, orange peel, and water hyacinth biochars presenting higher SE values and larger polar components.
Moderate levels of dietary arachidonic acid reduced lipid accumulation and tended to inhibit cell cycle progression in the liver of Japanese seabass Lateolabrax japonicus
Authors: Xu Houguo , Wang Chengqiang , Zhang Yuanqin , Wei Yuliang , Liang Mengqing 
Published: July 2018

AbstractTo investigate the physiological roles of dietary arachidonic acid (ARA) in fish, a feeding trial with Japanese seabass was conducted, followed by a hepatic transcriptome assay. Six experimental diets differing basically in ARA level (0.05%, 0.22%, 0.37%, 0.60%, 1.38% and 2.32% of dry matter) were used in the feeding trial. Liver samples from fish fed diets with 0.05% and 0.37% ARA were subjected to transcriptomic assay, generating a total of 139 differently expressed unigenes, which were primarily enriched in lipid metabolism and cell cycle-related signaling pathways. Then, qRT-PCR validation on lipid metabolism and cell cycle-related genes as well as corresponding enzyme-linked immunosorbent assay of selected proteins were conducted with liver samples from all six groups. Moderated ARA levels reduced lipogenesis and stimulated β-oxidation concurrently, but high ARA levels seemed to affect lipid metabolism in complicated ways. Both gene expression and protein concentration of cell cycle-related proteins were decreased by moderate levels of dietary ARA. The lipid content and fatty acid composition in fish confirmed the transcription and protein concentration results related to lipid metabolism. In conclusion, moderate levels of dietary ARA (0.37% and 0.60%) reduced lipid accumulation and tended to inhibit cell cycle progression in the liver of Japanese seabass.
Molecular Dynamics of Lithium Ion Transport in a Model Solid Electrolyte Interphase
Authors: Muralidharan Ajay , Chaudhari Mangesh I. , Pratt Lawrence R. , Rempe Susan B. 
Published: July 2018

AbstractLi+ transport within a solid electrolyte interphase (SEI) in lithium ion batteries has challenged molecular dynamics (MD) studies due to limited compositional control of that layer. In recent years, experiments and ab initio simulations have identified dilithium ethylene dicarbonate (Li2EDC) as the dominant component of SEI layers. Here, we adopt a parameterized, non-polarizable MD force field for Li2EDC to study transport characteristics of Li+ in this model SEI layer at moderate temperatures over long times. The observed correlations are consistent with recent MD results using a polarizable force field, suggesting that this non-polarizable model is effective for our purposes of investigating Li+ dynamics. Mean-squared displacements distinguish three distinct Li+ transport regimes in EDC — ballistic, trapping, and diffusive. Compared to liquid ethylene carbonate (EC), the nanosecond trapping times in EDC are significantly longer and naturally decrease at higher temperatures. New materials developed for fast-charging Li-ion batteries should have a smaller trapping region. The analyses implemented in this paper can be used for testing transport of Li+ ion in novel battery materials. Non-Gaussian features of van Hove self -correlation functions for Li+ in EDC, along with the mean-squared displacements, are consistent in describing EDC as a glassy material compared with liquid EC. Vibrational modes of Li+ ion, identified by MD, characterize the trapping and are further validated by electronic structure calculations. Some of this work appeared in an extended abstract and has been reproduced with permission from ECS Transactions, 77, 1155–1162 (2017). Copyright 2017, Electrochemical Society, INC.
A spike-modified Middle East respiratory syndrome coronavirus (MERS-CoV) infectious clone elicits mild respiratory disease in infected rhesus macaques
Authors: Cockrell Adam S. , Johnson Joshua C. , Moore Ian N. , Liu David X. , Bock Kevin W. , Douglas Madeline G. , Graham Rachel L. , Solomon Jeffrey , Torzewski Lisa , Bartos Christopher , Hart Randy , Baric Ralph S. , Johnson Reed F. 
Published: July 2018

AbstractThe recurrence of new human cases of Middle East respiratory syndrome coronavirus (MERS-CoV) underscores the need for effective therapeutic countermeasures. Nonhuman primate models are considered the gold standard for preclinical evaluation of therapeutic countermeasures. However, MERS-CoV-induced severe respiratory disease in humans is associated with high viral loads in the lower respiratory tract, which may be difficult to achieve in nonhuman primate models. Considering this limitation, we wanted to ascertain the effectiveness of using a MERS-CoV infectious clone (icMERS-0) previously shown to replicate to higher titers than the wild-type EMC 2012 strain. We observed respiratory disease resulting from exposure to the icMERS-0 strain as measured by CT in rhesus monkeys with concomitant detection of virus antigen by immunohistochemistry. Overall, respiratory disease was mild and transient, resolving by day 30 post-infection. Although pulmonary disease was mild, these results demonstrate for the first time the utility of CT imaging to measure disease elicited by a MERS-CoV infectious clone system in nonhuman primate models.