bluuebunny/crossref_metadata_2025 huggingface dataset:
Erratum: CD40-signalling abrogates induction of RORγt+ Treg cells by intestinal CD103+ DCs and causes fatal colitis
Authors: Barthels Christian , Ogrinc Ana , Steyer Verena , Meier Stefanie , Simon Ferdinand , Wimmer Maria , Blutke Andreas , Straub Tobias , Zimber-Strobl Ursula , Lutgens Esther , Marconi Peggy , Ohnmacht Caspar , Garzetti Debora , Stecher Bärbel , Brocker Thomas
Published: April 2017

Nature Communications 8: Article number: 14715 (2017); Published: 9 March 2017; Updated: 24 April 2017 In Fig. 2 of this Article, the inset image in the bottom panel was inadvertently omitted during the production process. The correct version of the Fig. 2 is shown below as Fig. 1.
Systematic identification and characterization of cardiac long intergenic noncoding RNAs in zebrafish
Authors: Wang Lei , Ma Xiao , Xu Xiaolei , Zhang Yuji
Published: April 2017

Long intergenic noncoding RNAs (lincRNAs) are increasingly recognized as potential key regulators of heart development and related diseases, but their identities and functions remain elusive. In this study, we sought to identify and characterize the cardiac lincRNA transcriptome in the experimentally accessible zebrafish model by integrating bioinformatics analysis with experimental validation. By conducting genome-wide RNA sequencing profiling of zebrafish embryonic hearts, adult hearts, and adult muscle, we generated a high-confidence set of 813 cardiac lincRNA transcripts, 423 of which are novel. Among these lincRNAs, 564 are expressed in the embryonic heart, and 730 are expressed in the adult heart, including 2 novel lincRNAs, TCONS_00000891 and TCONS_00028686, which exhibit cardiac-enriched expression patterns in adult heart. Using a method similar to a fetal gene program, we identified 51 lincRNAs with differential expression patterns between embryonic and adult hearts, among which TCONS_00009015 responded to doxorubicin-induced cardiac stress. In summary, our genome-wide systematic identification and characterization of cardiac lincRNAs lays the foundation for future studies in this vertebrate model to elucidate crucial roles for cardiac lincRNAs during heart development and cardiac diseases.
Seasonal variations of leaf and canopy properties tracked by ground-based NDVI imagery in a temperate forest
Authors: Yang Hualei , Yang Xi , Heskel Mary , Sun Shucun , Tang Jianwu
Published: April 2017

Changes in plant phenology affect the carbon flux of terrestrial forest ecosystems due to the link between the growing season length and vegetation productivity. Digital camera imagery, which can be acquired frequently, has been used to monitor seasonal and annual changes in forest canopy phenology and track critical phenological events. However, quantitative assessment of the structural and biochemical controls of the phenological patterns in camera images has rarely been done. In this study, we used an NDVI (Normalized Difference Vegetation Index) camera to monitor daily variations of vegetation reflectance at visible and near-infrared (NIR) bands with high spatial and temporal resolutions, and found that the infrared camera based NDVI (camera-NDVI) agreed well with the leaf expansion process that was measured by independent manual observations at Harvard Forest, Massachusetts, USA. We also measured the seasonality of canopy structural (leaf area index, LAI) and biochemical properties (leaf chlorophyll and nitrogen content). We found significant linear relationships between camera-NDVI and leaf chlorophyll concentration, and between camera-NDVI and leaf nitrogen content, though weaker relationships between camera-NDVI and LAI. Therefore, we recommend ground-based camera-NDVI as a powerful tool for long-term, near surface observations to monitor canopy development and to estimate leaf chlorophyll, nitrogen status, and LAI.
A microfabricated low-profile wideband antenna array for terahertz communications
Authors: Luk K. M. , Zhou S. F. , Li Y. J. , Wu F. , Ng K. B. , Chan C. H. , Pang S. W.
Published: April 2017

While terahertz communications are considered to be the future solutions for the increasing demands on bandwidth, terahertz equivalents of radio frequency front-end components have not been realized. It remains challenging to achieve wideband, low profile antenna arrays with highly directive beams of radiation. Here, based on the complementary antenna approach, a wideband 2 × 2 cavity-backed slot antenna array with a corrugated surface is proposed. The approach is based on a unidirectional antenna with a cardiac radiation pattern and stable frequency characteristics that is achieved by integrating a series-resonant electric dipole with a parallel-resonant magnetic dipole. In this design, the slots work as magnetic dipoles while the corrugated surface radiates as an array of electric dipoles. The proposed antenna is realized at 1 THz operating frequency by stacking multiple metallized layers using the microfabrication technology. S-parameter measurements of this terahertz low-profile metallic antenna array demonstrate high efficiency at terahertz frequencies. Fractional bandwidth and gain are measured to be 26% and 14 dBi which are consistent with the simulated results. The proposed antenna can be used as the building block for larger antenna arrays with more directive beams, paving the way to develop high gain low-profile antennas for future communication needs.
Variability in bacterial flagella re-growth patterns after breakage
Authors: Paradis Guillaume , Chevance Fabienne F. V. , Liou Willisa , Renault Thibaud T. , Hughes Kelly T. , Rainville Simon , Erhardt Marc
Published: April 2017

Many bacteria swim through liquids or crawl on surfaces by rotating long appendages called flagella. Flagellar filaments are assembled from thousands of subunits that are exported through a narrow secretion channel and polymerize beneath a capping scaffold at the tip of the growing filament. The assembly of a flagellum uses a significant proportion of the biosynthetic capacities of the cell with each filament constituting ~1% of the total cell protein. Here, we addressed a significant question whether a flagellar filament can form a new cap and resume growth after breakage. Re-growth of broken filaments was visualized using sequential 3-color fluorescent labeling of filaments after mechanical shearing. Differential electron microscopy revealed the formation of new cap structures on broken filaments that re-grew. Flagellar filaments are therefore able to re-grow if broken by mechanical shearing forces, which are expected to occur frequently in nature. In contrast, no re-growth was observed on filaments that had been broken using ultrashort laser pulses, a technique allowing for very local damage to individual filaments. We thus conclude that assembly of a new cap at the tip of a broken filament depends on how the filament was broken.
One-Step Fabrication of pH-Responsive Membranes and Microcapsules through Interfacial H-Bond Polymer Complexation
Authors: Dupré de Baubigny Julien , Trégouët Corentin , Salez Thomas , Pantoustier Nadège , Perrin Patrick , Reyssat Mathilde , Monteux Cécile
Published: April 2017

Biocompatible microencapsulation is of widespread interest for the targeted delivery of active species in fields such as pharmaceuticals, cosmetics and agro-chemistry. Capsules obtained by the self-assembly of polymers at interfaces enable the combination of responsiveness to stimuli, biocompatibility and scaled up production. Here, we present a one-step method to producein situmembranes at oil-water interfaces, based on the hydrogen bond complexation of polymers between H-bond acceptor and donor in the oil and aqueous phases, respectively. This robust process is realized through different methods, to obtain capsules of various sizes, from the micrometer scale using microfluidics or rotor-stator emulsification up to the centimeter scale using drop dripping. The polymer layer exhibits unique self-healing and pH-responsive properties. The membrane is viscoelastic at pH = 3, softens as pH is progressively raised, and eventually dissolves above pH = 6 to release the oil phase. This one-step method of preparation paves the way to the production of large quantities of functional capsules.
Temporal Characteristics of the Chinese Aviation Network and their Effects on the Spread of Infectious Diseases
Authors: Mou Jianhong , Liu Chuchu , Chen Saran , Huang Ge , Lu Xin
Published: April 2017

Aviation transportation systems have developed rapidly in recent years and have become a focus for research on the modeling of epidemics. However, despite the number of studies on aggregated topological structures and their effects on the spread of disease, the temporal sequence of flights that connect different airports have not been examined. In this study, to analyze the temporal pattern of the Chinese Aviation Network (CAN), we obtain a time series of topological statistics through sliding the temporal CAN with an hourly time window. In addition, we build two types of Susceptible-Infectious (SI) spreading models to study the effects of linking sequence and temporal duration on the spread of diseases. The results reveal that the absence of links formed by flights without alternatives at dawn and night causes a significant decrease in the centralization of the network. The temporal sparsity of linking sequence slows down the spread of disease on CAN, and the duration of flights intensifies the sensitiveness of CAN to targeted infection. The results are of great significance for further understanding of the aviation network and the dynamic process, such as the propagation of delay.
Mediastinal pulmonary artery is associated with greater artery diameter and lingular division volume
Authors: Dejima Hitoshi , Takahashi Yusuke , Hato Tai , Seto Katsutoshi , Mizuno Tetsuya , Kuroda Hiroaki , Sakakura Noriaki , Kawamura Masafumi , Sakao Yukinori
Published: April 2017

Pulmonary vessels have numerous variation and aberrant branching patterns. Mediastinal lingular artery (MLA), the most common aberrant branch, might contribute to greater blood flow to lingular division. Hence, we investigated a correlation between lingular division volume and MLA using three-dimensional CT volumetry. We included 199 consecutive patients who underwent surveillance chest CT to detect possible malignancies in April 2015. We measured lingular division volume and cross-sectional area of lingular arteries using three-dimensional CT volumetry. MLA was identified in 58 cases (29.1%). The MLA group had significantly greater lingular division volume (median ± quartile deviation: 378.3 ± 75.5 mL vs. 330.0 ± 87.5 mL; p = 0.021) and percentage lingular division to left lung volume (19.0 ± 2.62% vs. 16.6 ± 2.39%; p < 0.001) than the non-MLA group. Total cross-sectional area of lingular arteries of the MLA group was significantly larger than that of the non-MLA group (46.1 ± 9.46 vs. 40.2 ± 5.76 mm2; p = 0.003). The total cross-sectional area of the lingular arteries strongly correlated to the percentage of lingular division to left lung volume (r = 0.689, p < 0.001). This is the first report demonstrating a positive correlation between branching pattern of pulmonary artery and lung volume.
APOE-ɛ4 effects on longitudinal decline in olfactory and non-olfactory cognitive abilities in middle-aged and old adults
Authors: Josefsson Maria , Larsson Maria , Nordin Steven , Adolfsson Rolf , Olofsson Jonas
Published: April 2017

Characterizing aging-related decline trajectories in mental abilities, and relationships of the ɛ4 allele of the Apolipoprotein gene, helps to identify individuals at high risk for dementia. However, longitudinal changes in olfactory and non-olfactory cognitive abilities have not been investigated in relation to the ɛ4 allele. In the present study, participants from a large population-based study (657 middle-aged and 556 old) were tested over 10 years on their performance on an odor identification task and three non-olfactory cognitive tasks; MMSE, episodic memory, and semantic memory. Our key finding is that in middle-aged participants, odor identification declined twice as fast for ɛ4/4 homozygotes, compared to non-carriers. However, in old participants, the ɛ4/4 homozygotes showed an impaired odor identification ability, but they declined at a similar rate as the non-carriers. Furthermore, in old participants all assessments displayed aging-related declines, but exaggerated declines in ɛ4-carriers were found only in MMSE and episodic memory assessments. In sum, we present evidence that odor identification ability starts to decline already in middle-aged, and that carriers of ɛ4/4, who are at highest risk of developing dementia, decline twice as fast. Our results may have implications for use of odor identification assessment in detection of early-stage dementia.
Discovery of tauroursodeoxycholic acid biotransformation enzymes from the gut microbiome of black bears using metagenomics
Authors: Song Can , Wang Bochu , Tan Jun , Zhu Liancai , Lou Deshuai
Published: April 2017

Tauroursodeoxycholic acid (TUDCA) has been used to treat many diseases effectively. 7α-hydroxysteroid dehydrogenase (7α-HSDH) and 7β-hydroxysteroid dehydrogenase (7β-HSDH) are two key enzymes that drive the efficient biosynthesis of TUDCA from taurochenodeoxycholic acid (TCDCA) in vitro. In this study, a metagenomic approach was used to isolate 7α- and 7β-HSDHs from fecal samples of black bears. Five new 7α-HSDHs and one new 7β-HSDH enzyme were discovered and identified from the gut microbiota of black bears, and four of them presented good enzymatic properties. Our data also suggest cooperation in the biotransformation of TUDCA by the gut microbiota in black bears. In conclusion, this work expands the natural enzyme bank of HSDHs, provides promising candidate enzymes for application in the biosynthesis TUDCA and the epimerization reaction of bile acids at the C-7 position, and provides a data set for the discovery of novel enzymes in the gut micriobiome of black bears.
An integrated double-filtration microfluidic device for isolation, enrichment and quantification of urinary extracellular vesicles for detection of bladder cancer
Authors: Liang Li-Guo , Kong Meng-Qi , Zhou Sherry , Sheng Ye-Feng , Wang Ping , Yu Tao , Inci Fatih , Kuo Winston Patrick , Li Lan-Juan , Demirci Utkan , Wang ShuQi
Published: April 2017

Extracellular vesicles (EVs), including exosomes and microvesicles, are present in a variety of bodily fluids, and the concentration of these sub-cellular vesicles and their associated biomarkers (proteins, nucleic acids, and lipids) can be used to aid clinical diagnosis. Although ultracentrifugation is commonly used for isolation of EVs, it is highly time-consuming, labor-intensive and instrument-dependent for both research laboratories and clinical settings. Here, we developed an integrated double-filtration microfluidic device that isolated and enriched EVs with a size range of 30–200 nm from urine, and subsequently quantified the EVs via a microchip ELISA. Our results showed that the concentration of urinary EVs was significantly elevated in bladder cancer patients (n = 16) compared to healthy controls (n = 8). Receiver operating characteristic (ROC) analysis demonstrated that this integrated EV double-filtration device had a sensitivity of 81.3% at a specificity of 90% (16 bladder cancer patients and 8 healthy controls). Thus, this integrated device has great potential to be used in conjunction with urine cytology and cystoscopy to improve clinical diagnosis of bladder cancer in clinics and at point-of-care (POC) settings.
Weak connections form an infinite number of patterns in the brain
Authors: Ren Hai-Peng , Bai Chao , Baptista Murilo S. , Grebogi Celso
Published: April 2017

Recently, much attention has been paid to interpreting the mechanisms for memory formation in terms of brain connectivity and dynamics. Within the plethora of collective states a complex network can exhibit, we show that the phenomenon of Collective Almost Synchronisation (CAS), which describes a state with an infinite number of patterns emerging in complex networks for weak coupling strengths, deserves special attention. We show that a simulated neuron network with neurons weakly connected does produce CAS patterns, and additionally produces an output that optimally model experimental electroencephalograph (EEG) signals. This work provides strong evidence that the brain operates locally in a CAS regime, allowing it to have an unlimited number of dynamical patterns, a state that could explain the enormous memory capacity of the brain, and that would give support to the idea that local clusters of neurons are sufficiently decorrelated to independently process information locally.
Transcriptome profiling of sulfate deprivation responses in two agarophytes Gracilaria changii and Gracilaria salicornia (Rhodophyta)
Authors: Lee Wei-Kang , Namasivayam Parameswari , Ong Abdullah Janna , Ho Chai-Ling
Published: April 2017

Seaweeds survive in marine waters with high sulfate concentration compared to those living at freshwater habitats. The cell wall polymer of Gracilaria spp. which supplies more than 50% of the world agar is heavily sulfated. Since sulfation reduces the agar quality, it is interesting to investigate the effects of sulfate deprivation on the sulfate contents of seaweed and agar, as well as the metabolic pathways of these seaweeds. In this study, two agarophytes G. changii and G. salicornia were treated under sulfate deprivation for 5 days. The sulfate contents in the seaweed/agar were generally lower in sulfate-deprivated samples compared to those in the controls, but the differences were only statistically significant for seaweed sample of G. changii and agar sample of G. salicornia. RNA sequencing (RNA-Seq) of sulfate-deprivated and untreated seaweed samples revealed 1,292 and 3,439 differentially expressed genes (DEGs; ≥1.5-fold) in sulfate-deprivated G. changii and G. salicornia, respectively, compared to their respective controls. Among the annotated DEGs were genes involved in putative agar biosynthesis, sulfur metabolism, metabolism of sulfur-containing amino acids, carbon metabolism and oxidative stress. These findings shed light on the sulfate deprivation responses in agarophytes and help to identify candidate genes involved in agar biosynthesis.
Thermal stability, storage and release of proteins with tailored fit in silica
Authors: Chen Yun-Chu , Smith Tristan , Hicks Robert H. , Doekhie Aswin , Koumanov Francoise , Wells Stephen A. , Edler Karen J. , van den Elsen Jean , Holman Geoffrey D. , Marchbank Kevin J. , Sartbaeva Asel
Published: April 2017

Biological substances based on proteins, including vaccines, antibodies, and enzymes, typically degrade at room temperature over time due to denaturation, as proteins unfold with loss of secondary and tertiary structure. Their storage and distribution therefore relies on a “cold chain” of continuous refrigeration; this is costly and not always effective, as any break in the chain leads to rapid loss of effectiveness and potency. Efforts have been made to make vaccines thermally stable using treatments including freeze-drying (lyophilisation), biomineralisation, and encapsulation in sugar glass and organic polymers. Here for the first time we show that proteins can be enclosed in a deposited silica “cage”, rendering them stable against denaturing thermal treatment and long-term ambient-temperature storage, and subsequently released into solution with their structure and function intact. This “ensilication” method produces a storable solid protein-loaded material without the need for desiccation or freeze-drying. Ensilication offers the prospect of a solution to the “cold chain” problem for biological materials, in particular for vaccines.
An attenuated Mycobacterium tuberculosis clinical strain with a defect in ESX-1 secretion induces minimal host immune responses and pathology
Authors: Clemmensen Helena Strand , Knudsen Niels Peter Hell , Rasmussen Erik Michael , Winkler Jessica , Rosenkrands Ida , Ahmad Ahmad , Lillebaek Troels , Sherman David R. , Andersen Peter Lawætz , Aagaard Claus
Published: April 2017

Although Mycobacterium tuberculosis (M.tb) DK9897 is an attenuated strain, it was isolated from a patient with extrapulmonary tuberculosis and vaccination with a subunit vaccine (H56) induced poor protection against it. Both attenuation and lack of protection are because M.tb DK9897 cannot secrete the EsxA virulence factor nor induce a host response against it. Genome sequencing identified a frameshift mutation in the eccCa1 gene. Since the encoded EccCa1 protein provides energy for ESX-1 secretion, it suggested a defect in the ESX-1 type VII secretion system. Genetic complementation with a plasmid carrying the M.tb H37Rv sequence of eccCa1-eccCb1-pe35 re-established EsxA secretion, host specific EsxA T-cell responses, and increased strain virulence. The ESX-1 secretion defect prevents several virulence factors from being functional during infection and therefore attenuates M.tb. It precludes specific T-cell responses against strong antigens and we found very little in vivo cytokine production, gross pathology or granuloma formation in lungs from M.tb DK9897 infected animals. This coincides with M.tb DK9897 being unable to disrupt the phagosome membrane and make contact to the cytosol.
Abnormal gas-liquid-solid phase transition behaviour of water observed with in situ environmental SEM
Authors: Chen Xin , Shu Jiapei , Chen Qing
Published: April 2017

Gas-liquid-solid phase transition behaviour of water is studied with environmental scanning electron microscopy for the first time. Abnormal phenomena are observed. At a fixed pressure of 450 Pa, with the temperature set to −7 °C, direct desublimation happens, and ice grows continuously along the substrate surface. At 550 Pa, although ice is the stable phase according to the phase diagram, metastable liquid droplets first nucleate and grow to ~100–200 μm sizes. Ice crystals nucleate within the large sized droplets, grow up and fill up the droplets. Later, the ice crystals grow continuously through desublimation. At 600 Pa, the metastable liquid grows quickly, with some ice nuclei floating in it, and the liquid-solid coexistence state exists for a long time. By lowering the vapour pressure and/or increasing the substrate temperature, ice sublimates into vapour phase, and especially, the remaining ice forms a porous structure due to preferential sublimation in the concave regions, which can be explained with surface tension effect. Interestingly, although it should be forbidden for ice to transform into liquid phase when the temperature is well below 0 °C, liquid like droplets form during the ice sublimation process, which is attributed to the surface tension effect and the quasiliquid layers.
Gold nanoparticle-polymer nanocomposites synthesized by room temperature atmospheric pressure plasma and their potential for fuel cell electrocatalytic application
Authors: Zhang Ri-Chao , Sun Dan , Zhang Ruirui , Lin Wen-Feng , Macias-Montero Manuel , Patel Jenish , Askari Sadegh , McDonald Calum , Mariotti Davide , Maguire Paul
Published: April 2017

Conductive polymers have been increasingly used as fuel cell catalyst support due to their electrical conductivity, large surface areas and stability. The incorporation of metal nanoparticles into a polymer matrix can effectively increase the specific surface area of these materials and hence improve the catalytic efficiency. In this work, a nanoparticle loaded conductive polymer nanocomposite was obtained by a one-step synthesis approach based on room temperature direct current plasma-liquid interaction. Gold nanoparticles were directly synthesized from HAuCl4 precursor in poly(3,4-ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS). The resulting AuNPs/PEDOT:PSS nanocomposites were subsequently characterized under a practical alkaline direct ethanol fuel cell operation condition for its potential application as an electrocatalyst. Results show that AuNPs sizes within the PEDOT:PSS matrix are dependent on the plasma treatment time and precursor concentration, which in turn affect the nanocomposites electrical conductivity and their catalytic performance. Under certain synthesis conditions, unique nanoscale AuNPs/PEDOT:PSS core-shell structures could also be produced, indicating the interaction at the AuNPs/polymer interface. The enhanced catalytic activity shown by AuNPs/PEDOT:PSS has been attributed to the effective electron transfer and reactive species diffusion through the porous polymer network, as well as the synergistic interfacial interaction at the metal/polymer and metal/metal interfaces.
The pre-Argo ocean reanalyses may be seriously affected by the spatial coverage of moored buoys
Authors: Sivareddy S. , Paul Arya , Sluka Travis , Ravichandran M. , Kalnay Eugenia
Published: April 2017

Assimilation methods, meant to constrain divergence of model trajectory from reality using observations, do not exactly satisfy the physical laws governing the model state variables. This allows mismatches in the analysis in the vicinity of observation locations where the effect of assimilation is most prominent. These mismatches are usually mitigated either by the model dynamics in between the analysis cycles and/or by assimilation at the next analysis cycle. However, if the observations coverage is limited in space, as it was in the ocean before the Argo era, these mechanisms may be insufficient to dampen the mismatches, which we call shocks, and they may remain and grow. Here we show through controlled experiments, using real and simulated observations in two different ocean models and assimilation systems, that such shocks are generated in the ocean at the lateral boundaries of the moored buoy network. They thrive and propagate westward as Rossby waves along these boundaries. However, these shocks are essentially eliminated by the assimilation of near-homogenous global Argo distribution. These findings question the fidelity of ocean reanalysis products in the pre-Argo era. For example, a reanalysis that ignores Argo floats and assimilates only moored buoys, wrongly represents 2008 as a negative Indian Ocean Dipole year.
Functional, thermodynamics, structural and biological studies of in silico-identified inhibitors of Mycobacterium tuberculosis enoyl-ACP(CoA) reductase enzyme
Authors: Martinelli Leonardo K. B. , Rotta Mariane , Villela Anne D. , Rodrigues-Junior Valnês S. , Abbadi Bruno L. , Trindade Rogério V. , Petersen Guilherme O. , Danesi Giuliano M. , Nery Laura R. , Pauli Ivani , Campos Maria M. , Bonan Carla D. , de Souza Osmar Norberto , Basso Luiz A. , Santos Diogenes S.
Published: April 2017

Novel chemotherapeutics agents are needed to kill Mycobacterium tuberculosis, the main causative agent of tuberculosis (TB). The M. tuberculosis 2-trans-enoyl-ACP(CoA) reductase enzyme (MtInhA) is the druggable bona fide target of isoniazid. New chemotypes were previously identified by two in silico approaches as potential ligands to MtInhA. The inhibition mode was determined by steady-state kinetics for seven compounds that inhibited MtInhA activity. Dissociation constant values at different temperatures were determined by protein fluorescence spectroscopy. van’t Hoff analyses of ligand binding to MtInhA:NADH provided the thermodynamic signatures of non-covalent interactions (ΔH°, ΔS°, ΔG°). Phenotypic screening showed that five compounds inhibited in vitro growth of M. tuberculosis H37Rv strain. Labio_16 and Labio_17 compounds also inhibited the in vitro growth of PE-003 multidrug-resistant strain. Cytotoxic effects on Hacat, Vero and RAW 264.7 cell lines were assessed for the latter two compounds. The Labio_16 was bacteriostatic and Labio_17 bactericidal in an M. tuberculosis-infected macrophage model. In Zebrafish model, Labio_16 showed no cardiotoxicity whereas Labio_17 showed dose-dependent cardiotoxicity. Accordingly, a model was built for the MtInhA:NADH:Labio_16 ternary complex. The results show that the Labio_16 compound is a direct inhibitor of MtInhA, and it may represent a hit for the development of chemotherapeutic agents to treat TB.
A salient effect of density on the dynamics of nonaqueous electrolytes
Authors: Han Sungho
Published: April 2017

The mobility and solvation of lithium ions in electrolytes are crucial for the performance and safety of lithium ion batteries. It has been known that a single type of solvent cannot satisfy the requirements of both mobility and solvation simultaneously for electrolytes. Therefore, complex solvent mixtures have been used to optimize both properties. Here we present the effects of density on the dynamics and solvation of organic liquid electrolytes via extensive molecular dynamics simulations. Our study finds that a small variation in density can induce a significant effect on the mobility of electrolytes but does not influence the solvation structure of a lithium ion. It turns out that an adjustment of the density of electrolytes could provide a more effective way to enhance mobility than a control of the solvent mixture ratio of electrolytes. Our study reveals that the density change of electrolytes mainly affects the residence time of solvents in the first solvation shell of a lithium ion rather than the structural change of the solvation sheath. Finally, our results suggest an intriguing point for understanding and designing electrolytes of lithium ion batteries for better performance and safety.
Synthesis and anti-obesity effects in vivo of Crotadihydrofuran C as a novel PPARγ antagonist from Crotalaria albida
Authors: Sun Qin-Hu , Zhang Yu , Chou Gui-Xin
Published: April 2017

Crotadihydrofuran C (CC) from the herbs of Crotalaria albida is able to inhibit adipocyte differentiation and lipid accumulation. However, the effects of CC on obesity and metabolic disorders have not yet been elucidated. In our study, the first enantioselective synthesis of the 2-isopropenyl dihydrofuran isoflavone skeleton (CC) is described. The convenient and efficient synthetic protocols developed skilfully solve the problems of the ortho-para directing group and Suzuki coupling reaction using a boronic acid pinacol ester that was more stable and easy to obtain. Furthermore, CC treatment of high-fat diet (HFD)-fed obese mice remarkably reduced their body weight, fat mass, and lipid level as well as improved insulin resistance and non-alcoholic fatty liver disease (NAFLD). A TR-FRET assay showed that CC was specifically bound to PPARγ LBD, which was further confirmed by the molecular docking study. These results suggest that CC could be a useful and potential natural product for treating metabolic diseases, including obesity, hyperlipidemia insulin resistance and NAFLD, without toxic side-effects.
Development of a fluorescent ASFV strain that retains the ability to cause disease in swine
Authors: Borca Manuel V. , O’Donnell Vivian , Holinka Lauren G. , Sanford Brent , Azzinaro Paul A. , Risatti Guillermo R. , Gladue Douglas P.
Published: April 2017

African swine fever is a contagious and often lethal disease for domestic pigs with a significant economic impact for the swine industry. The etiological agent, African swine fever virus (ASFV), is a highly structurally complex double stranded DNA virus. No effective vaccines or antiviral treatment are currently commercially available. We present here the development of a strain of ASFV that has been shown to retain its ability to cause disease in swine, efficiently replicate in swine macrophage and that is fluorescently tagged. The insertion of an EGFP cassette replacing the reading frames for two neighboring genes, MGF360-13L and MGF360-14L, in highly virulent field isolate Georgia/2007, did not affect virus replication in cell cultures and did not affect disease progression in swine, the natural host for ASFV. A virulent fluorescently tagged ASFV is a suitable tool to conduct pathogenesis studies in swine, study on virus-macrophage interaction and to run large scale screens that require a sensitive high throughput output. Utilizing an EGFP reporter system for observing ASFV replication and infectivity can circumvent the time and labor-intensive steps associated with viral antigen-based assays such as the observation of hemadsorption or cytopathic effect.
Identification of pro-inflammatory CD205+ macrophages in livers of hepatitis B virus transgenic mice and patients with chronic hepatitis B
Authors: Yong Liang , Li Minmin , Gao Yimin , Deng Yanru , Liu Wenbin , Huang Dake , Ren Cuiping , Liu Miao , Shen Jijia , Hou Xin
Published: April 2017

Hepatic macrophages play a central role in disease pathogenesis during hepatitis B virus (HBV) infection. Our previous study found that CD205+ macrophages in the liver of hepatitis B surface antigen transgenic (HBs-Tg) mice increased significantly compared with those in wild-type mice, and these increased CD205+ macrophages were involved in CpG-oligodeoxynucleotide-induced liver injury in HBs-Tg mice. Here, we analysed the phenotype and function of CD205+ macrophages derived from the liver of HBs-Tg mice and patients with chronic hepatitis B (CHB). We found that HBs-Tg mice-derived hepatic macrophages produced larger amounts of pro-inflammatory cytokines, including IL-6, IL-12, TNF-α, and of the anti-inflammatory cytokine IL-10 after stimulation with CpG-oligodeoxynucleotides or commensal bacteria DNA than B6 mice-derived hepatic macrophages. Furthermore, hepatic CD205+ macrophages from HBs-Tg mice showed an activated phenotype and expressed higher levels of inflammatory cytokine genes, chemokine genes, and phagocytosis-related genes than hepatic CD205− macrophages. In addition, CD205+ macrophages displayed an inflammatory phenotype and were increased in the liver of patients with CHB compared with those in healthy controls. Our data suggest that hepatic CD205+ macrophages are a unique pro-inflammatory subset observed during HBV infection. Thus, development of intervention targeting these cells is warranted for immunotherapy of HBV-induced liver diseases.
Correction: Corrigendum: The clinically approved antiviral drug sofosbuvir inhibits Zika virus replication
Authors: Sacramento Carolina Q. , de Melo Gabrielle R. , de Freitas Caroline S. , Rocha Natasha , Hoelz Lucas Villas Bôas , Miranda Milene , Fintelman-Rodrigues Natalia , Marttorelli Andressa , Ferreira André C. , Barbosa-Lima Giselle , Abrantes Juliana L. , Vieira Yasmine Rangel , Bastos Mônica M. , Volotão Eduardo de Mello , Nunes Estevão Portela , Tschoeke Diogo A. , Leomil Luciana , Loiola Erick Correia , Trindade Pablo , Rehen Stevens K. , Bozza Fernando A. , Bozza Patrícia T. , Boechat Nubia , Thompson Fabiano L. , de Filippis Ana M. B. , Brüning Karin , Souza Thiago Moreno L.
Published: April 2017

Scientific Reports 7: Article number: 40920; published online 18 January 2017; updated on 24 April 2017 The Competing Financial Interests section in this Article is incorrect and should read: “Dr. Karin Brüning is a member of the BMK consortium, able to produce sofosbuvir”.
Modifying surface forces through control of surface potentials
Authors: Tivony Ran , Klein Jacob
Published: April 2017

Combining direct surface force measurements within situregulation of surface potential provides an exceptional opportunity for investigating and manipulating interfacial phenomena. Recently, we studied the interaction between gold and mica surfaces in water with no added salt, while controlling the metal potential, and found that the surface charge at the metal may vary, and possibly even change its sign, as it progressively approaches the (constant-charge) mica surface [Langmuir, 2015,31(47), 12845–12849]. Such a variation was found to directly affect the nature of the contact and adhesion between them due to exclusion of all mobile counterions from the intersurface gap. In this work, we extend this to examine the potential-dependent response of the adhesion and interaction between gold and mica to externally applied voltages and in electrolyte solution. Using a surface force balance (SFB) combined with a three-electrode electrochemical cell, we measured the normal interaction between gold and mica under surface potential regulation, revealing three interaction regimes – pure attraction, non-monotonic interaction from electrostatic repulsion to attraction (owing to charge inversion) and pure repulsion. Accordingly, the adhesion energy between the surfaces was found to vary both in no added salt water and, more strongly, in electrolyte solution. We justify this potential-dependent variation of adhesion energy in terms of the interplay between electrostatic energy and van der Waals (vdW) interaction at contact, and attribute the difference between the two cases to the weaker vdW interaction in electrolyte solution. Finally, we showed that through abruptly altering the gold surface potential from negative to positive andvice versa, the adhesion between gold and mica can be reversibly switched on and off. We surmise that the process of bringing the surface into contact is associated with the formation of a strong electric fieldO(108V m−1) in the intersurface gap.
Tracking and predicting wood fibers processing with fluorescent carbohydrate binding modules
Authors: Hébert-Ouellet Yannick , Meddeb-Mouelhi Fatma , Khatri Vinay , Cui Li , Janse Bernard , MacDonald Kevin , Beauregard Marc
Published: April 2017

Fluorescent probes allow for quick analysis of wood fiber surface polysaccharides.
Visual representations of microcosm in textbooks of chemistry: constructing a systemic network for their main conceptual framework
Authors: Papageorgiou George , Amariotakis Vasilios , Spiliotopoulou Vasiliki
Published: April 2017

The main objective of this work is to analyse the visual representations (VRs) of the microcosm depicted in nine Greek secondary chemistry school textbooks of the last three decades in order to construct a systemic network for their main conceptual framework and to evaluate the contribution of each one of the resulting categories to the network. The sample comprises a total number of 221 VRs of microcosm, 66 of which are VRs of the 8th grade, 92 of the 9th grade and 63 of the 10th grade. For the qualitative analysis of VRs the phenomenographic method was implemented, whereas a basic quantitative analysis followed. Results provide us with a network that can help science teachers and textbooks designers in identifying the plethora of codes employed in these VRs and the plethora of ways in which VRs can be used, as well as, in determining possible causes of relevant students' misconceptions. Quantitative analysis indicates an effect of grade on the content of VRs and relevant implications for science education are discussed.
Comparison of structural dynamics and coherence of d–d and MLCT light-induced spin state trapping
Authors: Zerdane S. , Wilbraham L. , Cammarata M. , Iasco O. , Rivière E. , Boillot M.-L. , Ciofini I. , Collet E.
Published: April 2017

Femtosecond optical spectroscopy revealed that the coherent structural dynamics accompanying LIESST was stronger with d–d than MLCT excitation.
Association models for binding of molecules to nanostructures
Authors: Ahumada Manuel , Lissi Eduardo , Montagut Ana Maria , Valenzuela-Henríquez Francisco , Pacioni Natalia L. , Alarcon Emilio I.
Published: April 2017

The interaction between nanoparticles and molecules determines the activity of nanostructures.
Luminescence-colour-changing sensing of Mn2+ and Ag+ ions based on a white-light-emitting lanthanide coordination polymer
Authors: Li Yu-xin , Li Shang-ju , Yan Peng-fei , Wang Xin-yu , Yao Xu , An Guang-hui , Li Guang-ming
Published: April 2017

A white-light-emitting LnCP is effectively applied to the detection of Ag+ and Mn2+ ions with high selectivity and sensitivity via luminescence-colour change.
Asymmetric fluorinative dearomatization of tryptamine derivatives
Authors: Liang Xiao-Wei , Liu Chuan , Zhang Wei , You Shu-Li
Published: April 2017

An asymmetric fluorinative dearomatization reaction of tryptamine derivatives was developed by using a chiral anion phase transfer catalytic system.
Design, synthesis and electrocatalytic properties of coaxial and layer-tunable MoS2nanofragments/TiO2nanorod arrays
Authors: Wang Wei , Wang Yuqiao , Li Changpan , Wu Yijun , Zhang Daoyu , Hong Kunquan , Sun Yueming
Published: April 2017

We present a new concept for the design and preparation of a coaxial structure to increase electrolyte diffusion channels, enhance electron transport, and expose additional active edge sites.
Investigation of the push–pull effects on β-functionalized benzoporphyrins bearing an ethynylphenyl bridge
Authors: Waruna Jinadasa R. G. , Thomas Michael B. , Hu Yi , D'Souza Francis , Wang Hong
Published: April 2017

β-Functionalized opp-dibenzoporphyrins show significant push–pull effects.
Mercurophilic interactions: a theoretical study on the importance of ligands
Authors: Echeverría Jorge , Cirera Jordi , Alvarez Santiago
Published: April 2017

A combined structural and theoretical analysis allowed us to determine the factors that favor the establishment of short Hg(ii)⋯Hg(ii) contacts based on metallophilic attraction.
B-DNA model systems in non-terran bio-solvents: implications for structure, stability and replication
Authors: Hamlin Trevor A. , Poater Jordi , Fonseca Guerra Célia , Bickelhaupt F. Matthias
Published: April 2017

We have computationally analyzed a comprehensive series of Watson–Crick and mismatched B-DNA base pairs, in the gas phase and in several solvents, including toluene, chloroform, ammonia, methanol and water, using dispersion-corrected density functional theory and implicit solvation.
Accelerated catalytic activity of Pd NPs supported on amine-rich silica hollow nanospheres for quinoline hydrogenation
Authors: Guo Miao , Li Can , Yang Qihua
Published: April 2017

The ultra-small Pd NPs stabilized by the amine-rich silica hollow nanosphere with a TOF as high as 5052 h−1 are among the most active solid catalysts for quinoline hydrogenation. The high catalytic activity could be mainly attributed to the ultra-small particle size and high surface electron density of Pd NPs.
Synthesis of water-soluble palladium(ii) complexes with N-heterocyclic carbene chelate ligands and their use in the aerobic oxidation of 1-phenylethanol
Authors: Asensio Juan M. , Gómez-Sal Pilar , Andrés Román , de Jesús Ernesto
Published: April 2017

Water-soluble palladium(ii) complexes with NHC chelate ligands have been prepared and studied as catalysts in the aerobic oxidation of alcohols in water.
A copper-phosphonate network as a high-performance heterogeneous catalyst for the CO2 cycloaddition reactions and alcoholysis of epoxides
Authors: Ai Jing , Min Xue , Gao Chao-Ying , Tian Hong-Rui , Dang Song , Sun Zhong-Ming
Published: April 2017

A protonated metal-phosphonate network was successfully prepared; it shows excellent catalytic activity for the CO2 chemical conversion and ring opening of epoxides.
The effects of introducing sterically demanding aryl substituents in [Cu(N^N)(P^P)]+complexes
Authors: Brunner Fabian , Graber Stefan , Baumgartner Yann , Häussinger Daniel , Prescimone Alessandro , Constable Edwin C. , Housecroft Catherine E.
Published: April 2017

[Cu(6-Arbpy)(POP)][PF6] and [Cu(6-Arbpy)(xantphos)][PF6] compounds in which Ar is a sterically hindered aryl substituent are described; structural and solution dynamical consequences of the bulky groups are investigated.
Chlamydomonas reinhardtii displays aversive swimming response to silver nanoparticles
Authors: Mitzel Michael R. , Lin Nicholas , Whalen Joann K. , Tufenkji Nathalie
Published: April 2017

A microfluidic device was used to examine the avoidance response of a freshwater algae to engineered nanoparticles.
Removal of pharmaceuticals by a potassium ferrate(vi) material: from practical implementation to reactivity prediction
Authors: Peings Vanessa , Pigot Thierry , Baylere Patrick , Sotiropoulos Jean-Marc , Frayret Jérôme
Published: April 2017

A ferrate(vi) material was used to treat a hospital effluent. Experimental measurements and calculations of the first ionization energies of pharmaceuticals were correlated to explain the oxidation selectivity of ferrate.
Development of stable Pickering emulsions/oil powders and Pickering HIPEs stabilized by gliadin/chitosan complex particles
Authors: Yuan D. B. , Hu Y. Q. , Zeng T. , Yin S. W. , Tang C. H. , Yang X. Q.
Published: April 2017

In this paper, we demonstrate the use of gliadin/chitosan complex particles (GCCPs) as particulate stabilizers of oil-in-water emulsions of natural oils and water.
Continuous fabrication of microcapsules with controllable metal covered nanoparticle arrays using droplet microfluidics for localized surface plasmon resonance
Authors: Wang Juan , Jin Mingliang , Gong Yingxin , Li Hao , Wu Sujuan , Zhang Zhang , Zhou Guofu , Shui Lingling , Eijkel Jan C. T. , van den Berg Albert
Published: April 2017

Particle-laden plasmonic microcapsules were fabricated continuously using microfluidic technology, showing high LSPR with high-density “hot-spot” scattering sites.
Copper-catalyzed oxidative amidation of α,β-unsaturated ketones via selective C–H or C–C bond cleavage
Authors: Pouambeka Tony Wheellyam , Zhang Ge , Zheng Guang-Fan , Xu Guo-Xing , Zhang Qian , Xiong Tao , Zhang Qian
Published: April 2017

The copper-catalyzed oxidative amidation of α,β-unsaturated ketones with N-fluorobenzenesulfonimide (NFSI) via a highly regioselective cleavage of C(CO)–C(vinyl) or C(vinyl)–H bonds of ketones has been achieved.
Squaramide-catalyzed domino Michael/aza-Henry [3 + 2] cycloaddition: asymmetric synthesis of functionalized 5-trifluoromethyl and 3-nitro substituted pyrrolidines
Authors: Liu Qiang , Zhao Kun , Zhi Ying , Raabe Gerhard , Enders Dieter
Published: April 2017

The diastereo- and enantioselective Michael/aza-Henry [3 + 2] cycloaddition reaction of trifluoromethyl-substituted iminomalonate and nitroalkenes has been developed employing 10 mol% of a quinine-squaramide catalyst.
Diverse exploitation of Brønsted acid catalysts – paving the way for simple access to enantioenriched amines
Authors: Carlone Armando , Bernardi Luca
Published: April 2017

Brønsted acid catalysis provided access to enantioenriched primary and secondary amines, paving the way to advancements in the area.
Ethanol sensor development based on ternary-doped metal oxides (CdO/ZnO/Yb2O3) nanosheets for environmental safety
Authors: Rahman Mohammed M. , Alam M. M. , Asiri Abdullah M. , Islam M. A.
Published: April 2017

Herein, we report the construction of a dynamic, highly sensitive, stable, reliable, and reproducible selective ethanol sensor based on a ternary metal oxide system of CdO/ZnO/Yb2O3nanosheets (NSs).
NiX2(X = Cl and Br) sheets as promising spin materials: a first-principles study
Authors: Mushtaq Muhammad , Zhou Yungang , Xiang Xia
Published: April 2017

In order to achieve paper-like spin devices, we explored two promising two-dimensional (2D) spin materials, namely NiCl2and NiBr2.
Hierarchical design of nitrogen-doped porous carbon nanorods for use in high efficiency capacitive energy storage
Authors: Ni Mei , Huang Zhenghong , Zhang Xiaoling , Liu Jinping , Qiao Liang , Yang Wen
Published: April 2017

We report a novel synthesis route for creating 3D interconnected hierarchical porous nitrogen-doped carbon nanorods (3D-IPCRs) using 1D polyaniline nanorods as a precursor and SiO2as a porogen.
Facile preparation of high-quality perovskites for efficient solar cells via a fast conversion of wet PbI2precursor films
Authors: Sun Chongyang , Guo Yiping , Fang Bijun , Guan Lin , Duan Huanan , Chen Yujie , Li Hua , Liu Hezhou
Published: April 2017

Facile preparation of high-quality CH3NH3PbI3films with excellent photovoltaic performance by using an annealing-free method and wet PbI2precursor films.
Facile synthesis of NiS2@MoS2core–shell nanospheres for effective enhancement in microwave absorption
Authors: Zhang Xiao-Juan , Wang Shan-Wen , Wang Guang-Sheng , Li Zhen , Guo Ao-Ping , Zhu Jia-Qiang , Liu Da-Peng , Yin Peng-Gang
Published: April 2017

Core–shell structural NiS2@MoS2nanospheres have been successfully fabricated and they possess enhanced microwave absorption properties as compared to single NiS2nanospheres or MoS2nanoplates due to this core–shell structure.