bluuebunny/crossref_metadata_2025 huggingface dataset:
Morphology engineering of Streptomyces coelicolor M145 by sub-inhibitory concentrations of antibiotics
Authors: Wang Hu , Zhao Guoping , Ding Xiaoming
Published: October 2017

Growth ofStreptomycesin submerged culture is characterized by the formation of complex mycelial particles, known as pellets or clumps, which strongly influence antibiotic production. Also, many bioactive molecules produced byStreptomyceshave great potential to modulate soil bacteria morphological development. However, there has been no effort directed at engineering mycelial morphology using these small molecules. Here, thiostrepton was identified, using a combination of qRT-PCR, semi-preparative HPLC, and MALDI-TOF MS, as a pellet-inducing compound produced byS. laurentiiATCC31255. At sub-inhibitory concentration, thiostrepton stimulatedStreptomyces coelicolorM145 pellet formation and antibiotics production were altered, with 3-fold and 2-fold decreases in actinorhodin and undecylprodigiosin yields, respectively. It was also shown that mycelial morphology can be influenced by other antibiotic class at sub-inhibitory concentrations. For instance, in the presence of spectinomycin,S. coelicolorM145, which under typical growth conditions forms large diameter pellets with many protruding hyphae, instead formed small diameter pellets with barely visible hyphae at the edge. Importantly, this morphology produced a 4-fold increase in undecylprodigiosin production and 3-fold decrease in actinorhodin production. These results indicated that these small molecules, previously identified as antimicrobials, also have great potential for influencing mycelial morphology.
Cell-surface major vault protein promotes cancer progression through harboring mesenchymal and intermediate circulating tumor cells in hepatocellular carcinomas
Authors: Lee Hyun Min , Joh Jae Won , Seo Se-Ri , Kim Won-Tae , Kim Min Kyu , Choi Hong Seo , Kim So Young , Jang Young-Joo , Sinn Dong Hyun , Choi Gyu Seong , Kim Jong Man , Kwon Choon Hyuck David , Chang Hee Jin , Kim Dae Shick , Ryu Chun Jeih
Published: October 2017

Circulating tumor cells (CTCs) play a major role in the metastasis and recurrence of hepatocellular carcinoma (HCC). Here, we found that major vault protein (MVP) is expressed on the surface of HCC cells and further induced under stressful environments. MVP knockdown reduces cell proliferation and induces apoptosis in HCC cells. Treatment of HCC cells with anti-MVP antibody (α-MVP) recognizing cell-surface MVP (csMVP) inhibits cell proliferation, migration, and invasion. csMVP-positive HCC cells have a higher clonogenic survival than csMVP-negative HCC cells, and treatment of HCC cells with α-MVP inhibits clonogenic survival, suggesting that csMVP contributes to HCC cell survival, migration, and invasion. The function of csMVP is mediated through mTOR, FAK, ERK and Akt signaling pathways. csMVP-positive CTCs are detected in HCC patients (89.7%) but not in healthy donors, and the number of csMVP-positive CTCs is further increased in patients with metastatic cancers. csMVP is exclusively detectable in CTCs with mesenchymal phenotype or intermediate phenotype with neither epithelial nor mesenchymal markers, suggesting that csMVP-associated survival and metastatic potential harbor CTCs with nonepithelial phenotypes. The results suggest that csMVP promotes cancer progression and serves as a surface marker for mesenchymal and intermediate CTCs in patients with HCC and metastatic cancers.
Involvement of Ubiquitin-Conjugating Enzyme (E2 Gene Family) in Ripening Process and Response to Cold and Heat Stress of Vitis vinifera
Authors: Gao Yingying , Wang Yi , Xin Haiping , Li Shaohua , Liang Zhenchang
Published: October 2017

Ubiquitin-conjugating (UBC) E2 enzyme plays crucial roles in plant growth and development. Limited information can describe the function of UBC enzyme E2 in grapes. A total of 43 UBC enzyme E2 genes with conserved UBC domain were identified in grapes. These genes were divided into five groups based on phylogenetic tree with tomatoes. Sequence analyses indicated that VvUBCs in the same group possessed similar gene structures and conserved motifs. Gene distribution in chromosomes was uneven, and gene duplication existed in 36 VvUBCs. Transcriptome and qRT-PCR analysis indicated that most VvUBCs are involved in ripening and post-harvest stage, and feature functional roles in grape organs. According to the transcriptome and qRT-PCR results, seven and six VvUBCs in grape responded to cold and heat stress, respectively, whereas no remarkable VvUBCs change was noted under salt or water-deficit stress. This study provides new insights to physiological and developmental roles of these enzymes and regulation mechanism of E2 genes in grapes.
Video capillaroscopy clarifies mechanism of the photoplethysmographic waveform appearance
Authors: Volkov Mikhail V. , Margaryants Nikita B. , Potemkin Andrey V. , Volynsky Maxim A. , Gurov Igor P. , Mamontov Oleg V. , Kamshilin Alexei A.
Published: October 2017

Photoplethysmography (PPG) devices are widely used in clinical practice but the origin of PPG signal is still under debating. The classical theory assumes that the PPG waveform stems from variations of blood volume in pulsating arteries. In this research we analysed high-speed video recordings of capillaries in a fingernail bed. It was found that speed of erythrocytes in capillaries has pronounced modulation in time, which follows variations of instantaneous blood pressure in arteries. However, the mean speed significantly differs even for neighbour capillaries whereas change of the speed occurs in phase for the most of capillaries. Moreover, the light intensity remitted from the papillary dermis is also modulated at the heartbeat frequency displaying significant correlation with waveforms of the RBC speed. Obtained results can hardly be explained by the classical theory of PPG signal formation. Shallow penetrating visible light acquires modulation of erythrocytes density in the capillary bed without interacting with deeper situated pulsating arteries. Therefore, the capillary bed could serve as a distributed sensor for monitor the status of deep vessels. Better understanding of the photoplethysmography basis will result in a wider range of applications of this fast growing technology in both medical and research practice.
Neural Network for Nanoscience Scanning Electron Microscope Image Recognition
Authors: Modarres Mohammad Hadi , Aversa Rossella , Cozzini Stefano , Ciancio Regina , Leto Angelo , Brandino Giuseppe Piero
Published: October 2017

In this paper we applied transfer learning techniques for image recognition, automatic categorization, and labeling of nanoscience images obtained by scanning electron microscope (SEM). Roughly 20,000 SEM images were manually classified into 10 categories to form a labeled training set, which can be used as a reference set for future applications of deep learning enhanced algorithms in the nanoscience domain. The categories chosen spanned the range of 0-Dimensional (0D) objects such as particles, 1D nanowires and fibres, 2D films and coated surfaces, and 3D patterned surfaces such as pillars. The training set was used to retrain on the SEM dataset and to compare many convolutional neural network models (Inception-v3, Inception-v4, ResNet). We obtained compatible results by performing a feature extraction of the different models on the same dataset. We performed additional analysis of the classifier on a second test set to further investigate the results both on particular cases and from a statistical point of view. Our algorithm was able to successfully classify around 90% of a test dataset consisting of SEM images, while reduced accuracy was found in the case of images at the boundary between two categories or containing elements of multiple categories. In these cases, the image classification did not identify a predominant category with a high score. We used the statistical outcomes from testing to deploy a semi-automatic workflow able to classify and label images generated by the SEM. Finally, a separate training was performed to determine the volume fraction of coherently aligned nanowires in SEM images. The results were compared with what was obtained using the Local Gradient Orientation method. This example demonstrates the versatility and the potential of transfer learning to address specific tasks of interest in nanoscience applications.
Lure-and-Kill Yeast Interfering RNA Larvicides Targeting Neural Genes in the Human Disease Vector Mosquito Aedes aegypti
Authors: Hapairai Limb K. , Mysore Keshava , Chen Yingying , Harper Elizabeth I. , Scheel Max P. , Lesnik Alexandra M. , Sun Longhua , Severson David W. , Wei Na , Duman-Scheel Molly
Published: October 2017

New mosquito control strategies are vitally needed to address established arthropod-borne infectious diseases such as dengue and yellow fever and emerging diseases such as Zika and chikungunya, all of which are transmitted by the disease vector mosquito Aedes aegypti. In this investigation, Saccharomyces cerevisiae (baker’s yeast) was engineered to produce short hairpin RNAs (shRNAs) corresponding to the Aedes aegypti orthologs of fasciculation and elongation protein zeta 2 (fez2) and leukocyte receptor cluster (lrc) member, two genes identified in a recent screen for A. aegypti larval lethal genes. Feeding A. aegypti with the engineered yeasts resulted in silenced target gene expression, disrupted neural development, and highly significant larval mortality. Larvicidal activities were retained following heat inactivation and drying of the yeast into tabular formulations that induced >95% mortality and were found to attract adult females to oviposit. These ready-to-use inactivated yeast interfering RNA tablets may one day facilitate the seamless integration of this new class of lure-and-kill species-specific biorational mosquito larvicides into integrated mosquito control programs.
Extensive gain and loss of photosystem I subunits in chromerid algae, photosynthetic relatives of apicomplexans
Authors: Sobotka Roman , Esson Heather J. , Koník Peter , Trsková Eliška , Moravcová Lenka , Horák Aleš , Dufková Petra , Oborník Miroslav
Published: October 2017

In oxygenic photosynthesis the initial photochemical processes are carried out by photosystem I (PSI) and II (PSII). Although subunit composition varies between cyanobacterial and plastid photosystems, the core structures of PSI and PSII are conserved throughout photosynthetic eukaryotes. So far, the photosynthetic complexes have been characterised in only a small number of organisms. We performed in silico and biochemical studies to explore the organization and evolution of the photosynthetic apparatus in the chromerids Chromera velia and Vitrella brassicaformis, autotrophic relatives of apicomplexans. We catalogued the presence and location of genes coding for conserved subunits of the photosystems as well as cytochrome b6f and ATP synthase in chromerids and other phototrophs and performed a phylogenetic analysis. We then characterised the photosynthetic complexes of Chromera and Vitrella using 2D gels combined with mass-spectrometry and further analysed the purified Chromera PSI. Our data suggest that the photosynthetic apparatus of chromerids underwent unique structural changes. Both photosystems (as well as cytochrome b6f and ATP synthase) lost several canonical subunits, while PSI gained one superoxide dismutase (Vitrella) or two superoxide dismutases and several unknown proteins (Chromera) as new regular subunits. We discuss these results in light of the extraordinarily efficient photosynthetic processes described in Chromera.
Quantitative microglia analyses reveal diverse morphologic responses in the rat cortex after diffuse brain injury
Authors: Morrison Helena , Young Kimberly , Qureshi Mahir , Rowe Rachel K. , Lifshitz Jonathan
Published: October 2017

Determining regions of altered brain physiology after diffuse brain injury is challenging. Microglia, brain immune cells with ramified and dynamically moving processes, constantly surveil the parenchyma for dysfunction which, when present, results in a changed morphology. Our purpose was to define the spatiotemporal changes in microglia morphology over 28 days following rat midline fluid percussion injury (mFPI) as a first step in exploiting microglia morphology to reflect altered brain physiology. Microglia morphology was quantified from histological sections using Image J skeleton and fractal analysis procedures at three time points and in three regions post-mFPI: impact site, primary somatosensory cortex barrel field (S1BF), and a remote region. Microglia ramification (process length/cell and endpoints/cell) decreased in the impact and S1BF but not the remote region (p < 0.05). Microglia complexity was decreased in the S1BF (p = 0.003) and increased in the remote region (p < 0.02). Rod-shaped microglia were present in the S1BF and had a 1.8:1.0 length:width ratio. An in-depth quantitative morphologic analysis revealed diverse and widespread changes to microglia morphology in the cortex post-mFPI. Due to their close link to neuronal function, changes in microglia morphology, summarized in this study, likely reflect altered physiology with diverse and widespread impact on neuronal and circuit function.
Conversion of FeCo from soft to hard magnetic material by lattice engineering and nanopatterning
Authors: Hasegawa Takashi , Kanatani Shunsuke , Kazaana Miyu , Takahashi Kairi , Kumagai Kohei , Hirao Maiko , Ishio Shunji
Published: October 2017

The development of magnetic materials with large uniaxial magnetic anisotropy (Ku) and high saturation magnetization has attracted much attention in various areas such as high-density magnetic storage, spintronic devices, and permanent magnets. Although FeCo alloys with the body-centred cubic structure exhibit the highest Ms among all transition metal alloys, their low Ku and coercivity (Hc) make them unsuitable for these applications. However, recent first-principles calculations have predicted large Ku for the FeCo films with the body-centred tetragonal structure. In this work, we experimentally investigated the hard magnetic properties and magnetic domain structures of nanopatterned FeCo alloy thin films. As a result, a relatively large value of the perpendicular uniaxial magnetic anisotropy Ku = 2.1 × 106 J·m−3 was obtained, while the Hc of the nanopatterned FeCo layers increased with decreasing dot pattern size. The maximum Hc measured in this study was 4.8 × 105 A·m−1, and the corresponding value of μ0Hc was 0.60 T, where μ0 represented the vacuum permeability.
Prediction of high-pressure phases of Weyl semimetal NbAs and NbP
Authors: Zhang Jingyun , Yang Cuihong , Rao Weifeng , Hao Jian , Li Yinwei
Published: October 2017

As the first known Weyl semimetals, binary compounds including TaP, TaAs, NbAs, and NbP have received worldwide interest. This work explored the phase behaviours of NbAs and NbP under high pressure up to 200 GPa via first-principles calculations combined with intelligent particle swarm optimization. Upon compression, a new phase of NbAs with P-6m2 symmetry appeared above 23 GPa and remained stable until 38 GPa, whereupon a monoclinic structure with space group P21/c became more energetically favourable. This lasted until 73 GPa, when a Pm-3m phase followed. Surprisingly, NbP underwent a single phase transition around 63.5 GPa to a new phase with Cmcm symmetry that was completely distinct from the structures shown by TaAs-class compounds such as NbAs and TaAs. All these newly pressure-stabilized structures were dynamically stable at both high and ambient pressure. Electronic band structure calculations revealed a transition from semimetal to metal under high pressure. This work is meaningful and fundamental for future studies and applications of TaAs-class Weyl semimetals under compression or extreme conditions.
Hybrid Printing Metal-mesh Transparent Conductive Films with Lower Energy Photonically Sintered Copper/tin Ink
Authors: Chen Xiaolian , Wu Xinzhou , Shao Shuangshuang , Zhuang Jinyong , Xie Liming , Nie Shuhong , Su Wenming , Chen Zheng , Cui Zheng
Published: October 2017

With the help of photonic sintering using intensive pulse light (IPL), copper has started to replace silver as a printable conductive material for printing electrodes in electronic circuits. However, to sinter copper ink, high energy IPL has to be used, which often causes electrode destruction, due to unreleased stress concentration and massive heat generated. In this study, a Cu/Sn hybrid ink has been developed by mixing Cu and Sn particles. The hybrid ink requires lower sintering energy than normal copper ink and has been successfully employed in a hybrid printing process to make metal-mesh transparent conductive films (TCFs). The sintering energy of Cu/Sn hybrid films with the mass ratio of 2:1 and 1:1 (Cu:Sn) were decreased by 21% compared to sintering pure Cu film, which is attributed to the lower melting point of Sn for hybrid ink. Detailed study showed that the Sn particles were effectively fused among Cu particles and formed conducting path between them. The hybrid printed Cu/Sn metal-mesh TCF with line width of 3.5 μm, high transmittance of 84% and low sheet resistance of 14 Ω/□ have been achieved with less defects and better quality than printed pure copper metal-mesh TCFs.
Strain in shock-loaded skeletal muscle and the time scale of muscular wobbling mass dynamics
Authors: Christensen Kasper B. , Günther Michael , Schmitt Syn , Siebert Tobias
Published: October 2017

In terrestrial locomotion, muscles undergo damped oscillations in response to limb impacts with the ground. Muscles are also actuators that generate mechanical power to allow locomotion. The corresponding elementary contractile process is the work stroke of an actin-myosin cross-bridge, which may be forcibly detached by superposed oscillations. By experimentally emulating rat leg impacts, we found that full activity and non-fatigue must meet to possibly prevent forcible cross-bridge detachment. Because submaximal muscle force represents the ordinary locomotor condition, our results show that forcible, eccentric cross-bridge detachment is a common, physiological process even during isometric muscle contractions. We also calculated the stiffnesses of the whole muscle-tendon complex and the fibre material separately, as well as Young’s modulus of the latter: 1.8 MPa and 0.75 MPa for fresh, fully active and passive fibres, respectively. Our inferred Young’s modulus of the tendon-aponeurosis complex suggests that stiffness in series to the fibre material is determined by the elastic properties of the aponeurosis region, rather than the tendon material. Knowing these stiffnesses and the muscle mass, the complex’ eigenfrequency for responses to impacts can be quantified, as well as the size-dependency of this time scale of muscular wobbling mass dynamics.
Changes in brain metabolic connectivity underlie autistic-like social deficits in a rat model of autism spectrum disorder
Authors: Cho Hojin , Kim Chul Hoon , Knight Elizabeth Quattrocki , Oh Hye Won , Park Bumhee , Kim Dong Goo , Park Hae-Jeong
Published: October 2017

The neurobiological basis of social dysfunction and the high male prevalence in autism spectrum disorder (ASD) remain poorly understood. Although network alterations presumably underlie the development of autistic-like behaviors, a clear pattern of connectivity differences specific to ASD has not yet emerged. Because the heterogeneous nature of ASD hinders investigations in human subjects, we explored brain connectivity in an etiologically homogenous rat model of ASD induced by exposure to valproic acid (VPA)in utero. We performed partial correlation analysis of cross-sectional resting-state18F-fluorodeoxyglucose positron emission tomography scans from VPA-exposed and control rats to estimate metabolic connectivity and conducted canonical correlation analysis of metabolic activity and behavior scores. VPA-treated rats exhibited impairments in social behaviors, and this difference was more pronounced in male than female rats. Similarly, current analyses revealed sex-specific changes in network connectivity and identified distinct alterations in the distributed metabolic activity patterns associated with autistic-like social deficits. Specifically, diminished activity in the salience network and enhanced activity in a cortico-cerebellar circuit correlated with the severity of social behavioral deficits. Such metabolic connectivity features may represent neurobiological substrates of autistic-like behavior, particularly in males, and may serve as a pathognomonic sign in the VPA rat model of ASD.
Encrypted Antimicrobial Peptides from Plant Proteins
Authors: Ramada M. H. S. , Brand G. D. , Abrão F. Y. , Oliveira M. , Filho J. L. Cardozo , Galbieri R. , Gramacho K. P. , Prates M. V. , Bloch C.
Published: October 2017

Examples of bioactive peptides derived from internal sequences of proteins are known for decades. The great majority of these findings appear to be fortuitous rather than the result of a deliberate and methodological-based enterprise. In the present work, we describe the identification and the biological activities of novel antimicrobial peptides unveiled as internal fragments of various plant proteins founded on our hypothesis-driven search strategy. All putative encrypted antimicrobial peptides were selected based upon their physicochemical properties that were iteratively selected by an in-house computer program named Kamal. The selected peptides were chemically synthesized and evaluated for their interaction with model membranes. Sixteen of these peptides showed antimicrobial activity against human and/or plant pathogens, some with a wide spectrum of activity presenting similar or superior inhibition efficacy when compared to classical antimicrobial peptides (AMPs). These original and previously unforeseen molecules constitute a broader and undisputable set of evidences produced by our group that illustrate how the intragenic concept is a workable reality and should be carefully explored not only for microbicidal agents but also for many other biological functions.
Decrypting Strong and Weak Single-Walled Carbon Nanotubes Interactions with Mitochondrial Voltage-Dependent Anion Channels Using Molecular Docking and Perturbation Theory
Authors: González-Durruthy Michael , Werhli Adriano V. , Seus Vinicius , Machado Karina S. , Pazos Alejandro , Munteanu Cristian R. , González-Díaz Humberto , Monserrat José M.
Published: October 2017

The current molecular docking study provided the Free Energy of Binding (FEB) for the interaction (nanotoxicity) between VDAC mitochondrial channels of three species (VDAC1-Mus musculus, VDAC1-Homo sapiens, VDAC2-Danio rerio) with SWCNT-H, SWCNT-OH, SWCNT-COOH carbon nanotubes. The general results showed that the FEB values were statistically more negative (p < 0.05) in the following order: (SWCNT-VDAC2-Danio rerio) > (SWCNT-VDAC1-Mus musculus) > (SWCNT-VDAC1-Homo sapiens) > (ATP-VDAC). More negative FEB values for SWCNT-COOH and OH were found in VDAC2-Danio reriowhen compared with VDAC1-Mus musculusand VDAC1-Homo sapiens(p < 0.05). In addition,asignificant correlation (0.66 > r2 > 0.97) was observed betweenn-Hamada index and VDAC nanotoxicity (or FEB) for the zigzag topologies of SWCNT-COOH and SWCNT-OH. Predictive Nanoparticles-Quantitative-Structure Binding-Relationship models (nano-QSBR) for strong and weak SWCNT-VDAC docking interactions were performed using Perturbation Theory, regression and classification models. Thus, 405 SWCNT-VDAC interactions were predicted using a nano-PT-QSBR classifications model with high accuracy, specificity, and sensitivity (73–98%) in training and validation series, and a maximum AUROC value of 0.978. In addition, the best regression model was obtained with Random Forest (R2of 0.833, RMSE of 0.0844), suggesting an excellent potential to predict SWCNT-VDAC channel nanotoxicity. All study data are available athttps://doi.org/10.6084/m9.figshare.4802320.v2.
Hybrid structure of white layer in high carbon steel – Formation mechanism and its properties
Authors: Hossain Rumana , Pahlevani Farshid , Witteveen Evelien , Banerjee Amborish , Joe Bill , Prusty B. Gangadhara , Dippenaar Rian , Sahajwalla Veena
Published: October 2017

This study identifies for the first time, the hybrid structure of the white layer in high carbon steel and describes its formation mechanism and properties. The so-called ‘white layer’ in steel forms during high strain rate deformation and appears featureless under optical microscopy. While many researchers have investigated the formation of the white layer, there has been no definitive study, nor is there sufficient evidence to fully explain the formation, structure and properties of the layer. In this study, the formation, morphology and mechanical properties of the white layer was determined following impact testing, using a combination of optical and SE- microscopy, HR-EBSD, TKD and TEM as well as nano-indentation hardness measurements and FE modelling. The phase transformation and recrystallization within and near the white layer was also investigated. The microstructure of the steel in the white layer consisted of nano-sized grains of martensite. A very thin layer of austenite with nano sized grains was identified within the white layer by HR-EBSD techniques, the presence of which is attributed to a thermally-induced reverse phase transformation. Overall, the combination of phase transformations, strain hardening and grain refinement led to a hybrid structure and an increase in hardness of the white layer.
Correlation of Plasma EGF with Striatal Dopamine Transporter Availability in Healthy Subjects
Authors: Pak Kyoungjune , Shin Seunghyeon , Kim So Jung , Kim Keunyoung , Kim Bum Soo , Kim Seong Jang , Kim In Joo
Published: October 2017

We aimed to evaluate the association between plasma epidermal growth factor (EGF) and the availability of dopamine transporter (DAT) measured from 123I-FP-CIT single-photon emission computed tomography in healthy controls in this study. Volume of interest template was applied to measure specific binding ratios (SBRs) of caudate nucleus, putamen, and striatum representing DAT availability as follows; SBR = (target– cerebellum)/cerebellum. Plasma EGF was negatively correlated with the availabilities of both caudate nucleus (r = −0.261, p = 0.019), and putamen (r = −0.341, p = 0.002). After dividing subjects according to Apo E genotyping, DAT availability of caudate nucleus of Apo e4 non-carriers (n = 60) showed the positive correlation with cerebrospinal fluid (CSF) α-synuclein (r = 0.264, p = 0.042). Plasma EGF was negatively correlated with DAT availabilities of Apo e4 non-carriers. Further studies are needed to clarify underlying mechanisms of this phenomenon.
Cryptogamic stem covers may contribute to nitrous oxide consumption by mature beech trees
Authors: Machacova Katerina , Maier Martin , Svobodova Katerina , Lang Friederike , Urban Otmar
Published: October 2017

Naturally produced by microbial processes in soil, nitrous oxide (N2O) is an important greenhouse gas contributing to climate change. Accordingly, there is a need to accurately quantify the capability of forest ecosystems to exchange N2O with the atmosphere. While N2O emissions from soils have been well studied, trees have so far been overlooked in N2O inventories. Here, we show that stems of mature beech trees (Fagus sylvatica) may act as a substantial sink of N2O from the atmosphere under conditions of soils consuming N2O. Consistent consumption of N2O by all stems investigated (ranging between −2.4 and −3.8 µg m−2 h−1) is a novel finding in contrast to current studies presenting trees as N2O emitters. To understand these fluxes, N2O exchange of photoautotrophic organisms associated with beech bark (lichens, mosses and algae) was quantified under laboratory conditions. All these organisms were net N2O sinks at full rehydration and temperature of 25 °C. The consumption rates were comparable to stem consumption rates measured under field conditions. Cryptogamic stem covers could be a relevant sink of N2O in European beech forests.
Chemical, microbial and antibiotic susceptibility analyses of groundwater after a major flood event in Chennai
Authors: Gowrisankar Ganesan , Chelliah Ramachandran , Ramakrishnan Sudha Rani , Elumalai Vetrimurugan , Dhanamadhavan Saravanan , Brindha Karthikeyan , Antony Usha , Elango Lakshmanan
Published: October 2017

During floods, human exposure to pathogens through contaminated water leads to the outbreak of epidemic diseases. This research presents the first extensive assessment of surface and groundwater samples collected immediately after a flood (December 2015) and post-flood (April 2016) from the Adyar River of Chennai, a major city in India, for major ions, trace metals, bacterial population, and pathogens. Severe rains in a short period of time resulted in flooding which inundated the wells, allowing the entry of sewage contaminated river water into the groundwater zone. This has led to bacterial counts and chemical ions exceeding Bureau of Indian Standard’s recommended limits in most flood affected areas. Pathogens isolated from the groundwater showed resistance to antibiotics, namely ceftriaxone, doxycycline and nalidixic acid. However, they were sensitive to chloramphenicol, ciprofloxacin, norfloxacin, and tetracycline. Determining the antibiotic susceptibility of pathogens will help in the treatment of humans affected by contaminated water through an appropriate selection of prescribed medication.
A multilayer network dataset of interaction and influence spreading in a virtual world
Authors: Jankowski Jarosław , Michalski Radosław , Bródka Piotr
Published: October 2017

Presented data contains the record of five spreading campaigns that occurred in a virtual world platform. Users distributed avatars between each other during the campaigns. The processes varied in time and range and were either incentivized or not incentivized. Campaign data is accompanied by events. The data can be used to build a multilayer network to place the campaigns in a wider context. To the best of the authors’ knowledge, the study is the first publicly available dataset containing a complete real multilayer social network together, along with five complete spreading processes in it.
Building a locally diploid genome and transcriptome of the diatom Fragilariopsis cylindrus
Authors: Paajanen Pirita , Strauss Jan , van Oosterhout Cock , McMullan Mark , Clark Matthew D. , Mock Thomas
Published: October 2017

The genome of the cold-adapted diatom Fragilariopsis cylindrus is characterized by highly diverged haplotypes that intersperse its homozygous genome. Here, we describe how a combination of PacBio DNA and Illumina RNA sequencing can be used to resolve this complex genomic landscape locally into the highly diverged haplotypes, and how to map various environmentally controlled transcripts onto individual haplotypes. We assembled PacBio sequence data with the FALCON assembler and created a haplotype resolved annotation of the assembly using annotations of a Sanger sequenced F. cylindrus genome. RNA-seq datasets from six different growth conditions were used to resolve allele-specifc gene expression in F. cylindrus. This approach enables to study differential expression of alleles in a complex genomic landscape and provides a useful tool to study how diverged haplotypes in diploid organisms are used for adaptation and evolution to highly variable environments.
Collision cross sections and ion structures: development of a general calculation method via high-quality ion mobility measurements and theoretical modeling
Authors: Lee Jong Wha , Davidson Kimberly L. , Bush Matthew F. , Kim Hugh I.
Published: October 2017

Theoretical collision cross section calculations revisited for reliable ion structural studies.
Multifunctional UCNPs@MnSiO3@g-C3N4nanoplatform: improved ROS generation and reduced glutathione levels for highly efficient photodynamic therapy
Authors: Feng Lili , He Fei , Dai Yunlu , Gai Shili , Zhong Chongna , Li Chunxia , Yang Piaoping
Published: October 2017

Photodynamic therapy (PDT) is a novel technique that has been extensively employed in cancer treatment; it utilizes reactive oxygen species to kill malignant cells.
Design of encapsulated hosts and guests for highly efficient blue and green thermally activated delayed fluorescence OLEDs based on a solution-process
Authors: Ban Xinxin , Zhu Aiyun , Zhang Tianlin , Tong Zhiwei , Jiang Wei , Sun Yueming
Published: October 2017

The molecular aggregation and exciton–polaron interaction of the TADF host–guest system were successfully restricted by efficient molecular encapsulation.
Chromium doped Li2RuO3 as a positive electrode with superior electrochemical performance for lithium ion batteries
Authors: Liu Shengzhou , Wang Jiali , Tian Zixuan , Li Qian , Tian Xiaoqing , Cui Yanhua , Yang Yin
Published: October 2017

Cr-Doped Li2RuO3 of the Li2Ru1−xCrxO3 (x = 0, 0.02, 0.05, 0.1) series was successfully synthesized and the effect of Cr on the electrochemical performance of Li2RuO3 was systematically investigated.
Crystallization-induced reversible fluorescence switching of alkyl chain length dependent thermally stable supercooled organic fluorescent liquids
Authors: Hariharan P. S. , Moon Dohyun , Anthony Savarimuthu Philip
Published: October 2017

Triphenylamine fluorophore-produced alkyl chain length dependent stable fluorescent liquids and their crystallization-induced reversible fluorescence switching.
Proton mobility in aqueous systems: combining ab initio accuracy with millisecond timescales
Authors: Kabbe Gabriel , Dreßler Christian , Sebastiani Daniel
Published: October 2017

Development of a combined molecular dynamics/kinetic Monte Carlo scheme for the modeling of excess charge transport in water.
Stratification and two glass-like thermal transitions in aged polymer films
Authors: Pradipkanti L. , Chowdhury Mithun , Satapathy Dillip K.
Published: October 2017

Two glass-like thermal transitions and anomalous thermal expansion are observed in stratified and prolonged physically aged polystyrene films.
Synthesis of a Co–Mo sulfide catalyst with a hollow structure for highly efficient hydrodesulfurization of dibenzothiophene
Authors: Li Guangci , Yue Li , Fan Ruikun , Liu Di , Li Xuebing
Published: October 2017

Co–Mo sulfides with tube-like structures exhibit super high activity for HDS of DBT.
Visible-light-induced reduction of hexavalent chromium utilizing cobalt phosphate (Co-Pi) sensitized inverse opal TiO2as a photocatalyst
Authors: Lv Weijia , Liu Zhihang , Lan Jinjing , Liu Ziyu , Mi Wenxin , Lei Juying , Wang Lingzhi , Liu Yongdi , Zhang Jinlong
Published: October 2017

Cobalt phosphate (Co-Pi) modified inverse opal TiO2was developed and applied for efficient photocatalytic reduction of Cr(vi).
Elucidating the role of oxygen coverage in CO2 reduction on Mo2C
Authors: Dixit Mudit , Peng Xi , Porosoff Marc D. , Willauer Heather D. , Mpourmpakis Giannis
Published: October 2017

Revealed linear relationships between oxygen coverage and electronic modification of the Mo2C catalyst that tunes the reactivity for CO2 reduction.
Aerobic granulation for future wastewater treatment technology: challenges ahead
Authors: Sarma S. J. , Tay J. H.
Published: October 2017

Aerobic granules were discovered around 20 years back.
Methane-driven microbial fuel cells recover energy and mitigate dissolved methane emissions from anaerobic effluents
Authors: Chen Siming , Smith Adam L.
Published: October 2017

The effluents of mainstream anaerobic treatment processes such as anaerobic membrane bioreactors (AnMBRs) contain dissolved methane that represents a large fraction of the available energy (approximately 50% at 15 °C) and a significant greenhouse gas (GHG) emission if released to the atmosphere.
20(s)-Protopanaxadiol (PPD) increases the radiotherapy sensitivity of laryngeal carcinoma
Authors: Teng Bo , Zhao Lijing , Gao Jing , He Peng , Li Hejie , Chen Junyu , Feng Qingjie , Yi Chunhui
Published: October 2017

PPD increases the radiotherapy sensitivity of LC by down-regulation of mTOR pathway.
Pepsin–pancreatin hydrolysis reduced the ability of lunasin-enriched material to inhibit activation of the inflammasomes in THP-1 human macrophages
Authors: Price Samuel James , Pangloli Philipus , Dia Vermont P.
Published: October 2017

A lunasin-enriched product was prepared and hydrolyzed which inhibited activation of the inflammasomes in THP-1 human macrophages.
Comparative toxic effects of butylparaben sodium, sodium diacetate and potassium sorbate toDunaliella tertiolectaand HL7702 cells
Authors: Chen Hao-Hong , Xu Xi-Lin , Shang Yu , Jiang Jian-Guo
Published: October 2017

The aim of this study is to further evaluate the toxicities of Butylparaben sodium (BP), sodium diacetate (SDA) and potassium sorbate (PS) using microalgae cells, and a comparison is made with their mammalian cell cytotoxicities.
Chronic intoxication by methylmercury leads to oxidative damage and cell death in salivary glands of rats
Authors: Farias-Junior Paulo Mecenas Alves , Teixeira Francisco Bruno , Fagundes Nathalia Carolina Fernandes , Miranda Giza Hellen Nonato , Oliveira Bittencourt Leonardo , de Oliveira Paraense Ricardo Sousa , Silva Márcia Cristina Freitas , Sagica Fernanda do Espírito Santo , de Oliveira Edivaldo Herculano , Crespo-López Maria Elena , Lima Rafael Rodrigues
Published: October 2017

Methylmercury (MeHg) is one of the most toxic species of mercury, causing several systemic damages; however, its effect on the salivary glands has rarely been explored to date.
Highly selective turn-on probe for H2S with imaging applications in vitro and in vivo
Authors: Thirumalaivasan Natesan , Venkatesan Parthiban , Wu Shu-Pao
Published: October 2017

A pyrene-based chemosensor, PyN3, has been developed as a H2S turn-on sensor via reduction of azide to amine.
Thioacetamide-derived nitrogen and sulfur co-doped carbon nanoparticles used for label-free detection of copper(ii) ions and bioimaging applications
Authors: Krishna Sadhanala Hari , Maddegalla Ananya , Nanda K. K.
Published: October 2017

Thioacetamide-derived nitrogen and sulfur co-doped carbon nanoparticles as photoluminescent probes for the efficient detection of Cu2+ ions.
Ultrafast structural evolution and formation of linear carbon chains in single-walled carbon nanotube networks by femtosecond laser irradiation
Authors: Ha Jeonghong , Jung Hyun Young , Hao Ji , Li Bo , Raeliarijaona Aldo , Alarcón Jorge , Terrones Humberto , Ajayan Pulickel M. , Jung Yung Joon , Kim Jaegu , Kim Dongsik
Published: October 2017

This work demonstrates a method for engineering a molecular structure of single-walled carbon nanotube networks by femtosecond laser irradiation.
Direct visualization and real-time monitoring of dissipative self-assembly by synchronously coupled aggregation-induced emission
Authors: Geng Wen-Chao , Liu Yan-Cen , Zheng Zhe , Ding Dan , Guo Dong-Sheng
Published: October 2017

Dissipative self-assembly was clearly visualized and real-time monitored throughin situintrinsic aggregation-induced emission fluorescence only in the assembly state.
CBr4-mediated cross-coupling reactions of α-amino carbonyl compounds with alcohols and thiols to build C–O and C–S bonds, respectively
Authors: Liu Xingxing , Pu Jinghong , Luo Xinliang , Cui Xinfeng , Wu Zhaoyang , Huang Guosheng
Published: October 2017

The direct C(sp3)–H bond functionalization of α-amino carbonyl compounds with CBr4 to construct C–O and C–S bonds.
Bacterial cellulose–TiO2nanocomposites promote healing and tissue regeneration in burn mice model
Authors: Khalid Ayesha , Ullah Hanif , Ul-Islam Mazhar , Khan Romana , Khan Shaukat , Ahmad Fiaz , Khan Taous , Wahid Fazli
Published: October 2017

The development of novel cutaneous wound treatments particularly for burns is of paramount importance due to complex pathophysiology, prevalent infection and clinical complexities associated with burn care.
A 2 micron passively Q-switched bulk state pulsed laser based on WS2
Authors: Wang Xihu , Xu Jinlong , Gao Shufang , Liu Yunyun , You Zhenyu , Tu Chaoyang
Published: October 2017

We report a 2 micron passively Q-switched bulk state pulsed laser with a pulse of 430 ns based on graphene-like 2D WS2 nanosheets.
Mercaptooxazole–phenazine based blue fluorescent sensor for the ultra-sensitive detection of mercury(ii) ions in aqueous solution
Authors: Zhang Hai-Li , Li Wen-Ting , Qu Wen-Juan , Wei Tai-Bao , Lin Qi , Zhang You-Ming , Yao Hong
Published: October 2017

Herein, a fluorescent sensor based on the mechanism of the deprotonation process was designed and synthesized, which could detect Hg2+ in aqueous solution with remarkable fluorescence color changed (from yellow to light blue).
A sustainable hierarchical carbon derived from cultivated fibroid fungus for high performance lithium–sulfur batteries
Authors: Wu Huali , Lin Jiafu , Mou Jirong , Zheng Qiaoji , Lin Dunmin
Published: October 2017

Controlling the fabrication of microorganism at an earlier stage, the final properties of this biomass carbon can be changed.
Photodissociation kinetics of the isobutanal radical cation: a combined experimental and theoretical study
Authors: Choe Joong Chul , Moon Cheol Joo , Choi Myong Yong , Kim Myung Hwa
Published: October 2017

Main photodissociation pathways of isobutanal radical cation generated by (2 + 1) REMPI process.
Rheological reversibility and long-term stability of repulsive and attractive nanoemulsion gels
Authors: Erramreddy Vivek Vardhan , Tu Sylvana , Ghosh Supratim
Published: October 2017

The storage modulus (G′) of a canola oil nanoemulsion gel depends on the storage time and SDS emulsifier concentration.
Molecular dynamics simulation for the impact of an electrostatic field and impurity Mg2+ions on hard water
Authors: Zhu Lin , Han Yong , Zhang Chuanxin , Zhao Ruikuan , Tang Shoufeng
Published: October 2017

A detailed analysis of the structural parameters and dynamic parameters of hard water solutions under an external electrostatic field was performed by molecular dynamics (MD) simulations with the presence of impurity Mg2+ions.
Pillar[5]arene-based fluorescent polymer for selective detection and removal of mercury ions
Authors: Chen Jin-Fa , Han Bing-Bing , Ma Jin-Feng , Liu Xi , Yang Qing-Yu , Lin Qi , Yao Hong , Zhang You-Ming , Wei Tai-Bao
Published: October 2017

A novel pillar[5]arene-based fluorescent polymer has been synthesized, and it is used for fluorescence detection and removal of the toxic mercury ions.
Blending problem-based learning and peer-led team learning, in an open ended ‘home-grown’ pharmaceutical chemistry case study
Authors: Veale Clinton G. L. , Krause Rui W. M. , Sewry Joyce D.
Published: October 2017

Pharmaceutical chemistry, medicinal chemistry and the drug discovery process require experienced practitioners to employ reasoned speculation in generating creative ideas, which can be used to evolve promising molecules into drugs. The ever-evolving world of pharmaceutical chemistry requires university curricula that prepare graduates for their role as designers with the capability of applying complex concepts in pharmaceutical chemistry, thereby improving the decision-making process. Common methods of teaching drug discovery, including the linear nature of the traditional case study model, do not provide a realistic picture of the underlying complexity of the process, nor do they equip students with the appropriate tools for personal sense making and abstraction. In this work, we discuss the creation of an open-ended, nonlinear case study for 3rd year pharmaceutical chemistry students, developed from drug discovery research conducted at Rhodes University. Furthermore, we discuss blending problem based learning (PBL) with peer-led team learning (PLTL) in the context of curriculum transformation, underpinned by the theory of semantic waves, to assist students in the early attainment of abstract concepts and answer questions of contextualisation, personal sense making, relatability, relevance and ultimately the skills for lifelong learning.
From cellulose to kerogen: molecular simulation of a geological process
Authors: Atmani Lea , Bichara Christophe , Pellenq Roland J.-M. , Van Damme Henri , van Duin Adri C. T. , Raza Zamaan , Truflandier Lionel A. , Obliger Amaël , Kralert Paul G. , Ulm Franz J. , Leyssale Jean-Marc
Published: October 2017

Accelerated reactive molecular dynamics simulations reveal the complex geological conversion path of organic matter into porous carbon (kerogen) and gas.
Buckling patterns in biaxially pre-stretched bilayer shells: wrinkles, creases, folds and fracture-like ridges
Authors: Al-Rashed Rashed , López Jiménez Francisco , Marthelot Joel , Reis Pedro M.
Published: October 2017

We introduce a new experimental system to study the effects of pre-stretch on the buckling patterns that emerge from the biaxial compression of elastomeric bilayer shells.
Highly stable lithium ion capacitor enabled by hierarchical polyimide derived carbon microspheres combined with 3D current collectors
Authors: Jiang Jiangmin , Nie Ping , Ding Bing , Zhang Yadi , Xu Guiyin , Wu Langyuan , Dou Hui , Zhang Xiaogang
Published: October 2017

A novel Li-ion capacitor has been developed by using hierarchical polyimide derived carbon microspheres combined with 3D porous current collectors.
Ultrafast synthesis of molybdenum carbide nanoparticles for efficient hydrogen generation
Authors: Lv Cuncai , Huang Zhipeng , Yang Qianpeng , Wei Guangfeng , Chen Zuofeng , Humphrey Mark G. , Zhang Chi
Published: October 2017

A facile and ultrafast synthesis of molybdenum carbide coated with few-layer carbon (MoC/C) has been developed, and the effect of reducing the thickness of the carbon coating on its catalytic activity in the hydrogen evolution reaction (HER) has been demonstrated.
A photocapacitor based on organometal halide perovskite and PANI/CNT composites integrated using a CNT bridge
Authors: Liu Ruhao , Liu Changhong , Fan Shoushan
Published: October 2017

A photocapacitor based on a perovskite solar cell and PANI/CNT supercapacitor with large capacitance was integrated using a CNT bridge.
One-step synthesis of carbon nanosheet-decorated carbon nanofibers as a 3D interconnected porous carbon scaffold for lithium–sulfur batteries
Authors: Feng Shuo , Song Junhua , Fu Shaofang , Zhu Chengzhou , Shi Qiurong , Song Min-Kyu , Du Dan , Lin Yuehe
Published: October 2017

Among the emerging energy storage methods, lithium–sulfur (LIS) batteries have drawn plenty of attention due to their high theoretical energy density, low cost and environmental benignity.
Hydrogen absorption in 1 nm Pd clusters confined in MIL-101(Cr)
Authors: Malouche Abdelmalek , Blanita Gabriela , Lupu Dan , Bourgon Julie , Nelayah Jaysen , Zlotea Claudia
Published: October 2017

We report here the unprecedented modification of the hydrogen absorption/desorption properties of 1 nm Pd clusters relative to the bulk and nanoparticles down to 2–3 nm.
Edge-oriented SnS2 nanosheet arrays on carbon paper as advanced binder-free anodes for Li-ion and Na-ion batteries
Authors: Wang Jian-Gan , Sun Huanhuan , Liu Huanyan , Jin Dandan , Zhou Rui , Wei Bingqing
Published: October 2017

Edge-oriented SnS2 nanosheet arrays are vertically grown on a freestanding carbon paper for high-performance Li/Na-ion batteries.
One-step constructed ultrathin Janus polyamide nanofilms with opposite charges for highly efficient nanofiltration
Authors: Liu Sihua , Wu Chunrui , Hung Wei-Song , Lu Xiaolong , Lee Kueir-Rarn
Published: October 2017

An ultrathin Janus polyamide separating layer with opposite charges was successfully prepared through the “self-regulation” process of low temperature interfacial polymerization.
Ultra-selective defect-free interfacially polymerized molecular sieve thin-film composite membranes for H2 purification
Authors: Ali Z. , Pacheco F. , Litwiller E. , Wang Y. , Han Y. , Pinnau I.
Published: October 2017

Ultrathin, defect-free thin-film polyamide composite membranes developed for H2/CO2 separation exhibit mixed-gas performance far exceeding all state-of-the-art polymeric membranes.
Metal–organic frameworks (MOFs): potential and challenges for capture and abatement of ammonia
Authors: Vikrant Kumar , Kumar Vanish , Kim Ki-Hyun , Kukkar Deepak
Published: October 2017

Metal–organic frameworks (MOFs) have potential as air quality treatment media for various gaseous pollutants (e.g., ammonia) through diverse mechanisms (capture and catalytic degradation).