bluuebunny/crossref_metadata_2025 huggingface dataset:
A heavy metal P-type ATPase OsHMA4 prevents copper accumulation in rice grain
Authors: Huang Xin-Yuan , Deng Fenglin , Yamaji Naoki , Pinson Shannon R.M. , Fujii-Kashino Miho , Danku John , Douglas Alex , Guerinot Mary Lou , Salt David E. , Ma Jian Feng
Published: July 2016

Rice is a major source of calories and mineral nutrients for over half the world’s human population. However, little is known in rice about the genetic basis of variation in accumulation of copper (Cu), an essential but potentially toxic nutrient. Here we identify OsHMA4 as the likely causal gene of a quantitative trait locus controlling Cu accumulation in rice grain. We provide evidence that OsHMA4 functions to sequester Cu into root vacuoles, limiting Cu accumulation in the grain. The difference in grain Cu accumulation is most likely attributed to a single amino acid substitution that leads to different OsHMA4 transport activity. The allele associated with low grain Cu was found in 67 of the 1,367 rice accessions investigated. Identification of natural allelic variation in OsHMA4 may facilitate the development of rice varieties with grain Cu concentrations tuned to both the concentration of Cu in the soil and dietary needs.
Rational design of carbon nitride photocatalysts by identification of cyanamide defects as catalytically relevant sites
Authors: Lau Vincent Wing-hei , Moudrakovski Igor , Botari Tiago , Weinberger Simon , Mesch Maria B. , Duppel Viola , Senker Jürgen , Blum Volker , Lotsch Bettina V.
Published: July 2016

The heptazine-based polymer melon (also known as graphitic carbon nitride, g-C3N4) is a promising photocatalyst for hydrogen evolution. Nonetheless, attempts to improve its inherently low activity are rarely based on rational approaches because of a lack of fundamental understanding of its mechanistic operation. Here we employ molecular heptazine-based model catalysts to identify the cyanamide moiety as a photocatalytically relevant ‘defect’. We exploit this knowledge for the rational design of a carbon nitride polymer populated with cyanamide groups, yielding a material with 12 and 16 times the hydrogen evolution rate and apparent quantum efficiency (400 nm), respectively, compared with the unmodified melon. Computational modelling and material characterization suggest that this moiety improves coordination (and, in turn, charge transfer kinetics) to the platinum co-catalyst and enhances the separation of the photogenerated charge carriers. The demonstrated knowledge transfer for rational catalyst design presented here provides the conceptual framework for engineering high-performance heptazine-based photocatalysts.
Ab initio engineering of materials with stacked hexagonal tin frameworks
Authors: Shao Junping , Beaufils Clément , Kolmogorov Aleksey N.
Published: July 2016

The group-IV tin has been hypothesized to possess intriguing electronic properties in an atom-thick hexagonal form. An attractive pathway of producing sizable 2D crystallites of tin is based on deintercalation of bulk compounds with suitable tin frameworks. Here, we have identified a new synthesizable metal distannide, NaSn2, with a 3D stacking of flat hexagonal layers and examined a known compound, BaSn2, with buckled hexagonal layers. Ourab initioresults illustrate that despite being an exception to the 8-electron rule, NaSn2should form under pressures easily achievable in multi-anvil cells and remain (meta)stable under ambient conditions. Based on calculatedZ2invariants, the predicted NaSn2may display topologically non-trivial behavior and the known BaSn2could be a strong topological insulator.
Positron spectroscopy of point defects in the skyrmion-lattice compound MnSi
Authors: Reiner Markus , Bauer Andreas , Leitner Michael , Gigl Thomas , Anwand Wolfgang , Butterling Maik , Wagner Andreas , Kudejova Petra , Pfleiderer Christian , Hugenschmidt Christoph
Published: July 2016

Outstanding crystalline perfection is a key requirement for the formation of new forms of electronic order in a vast number of widely different materials. Whereas excellent sample quality represents a standard claim in the literature, there are, quite generally, no reliable microscopic probes to establish the nature and concentration of lattice defects such as voids, dislocations and different species of point defects on the level relevant to the length and energy scales inherent to these new forms of order. Here we report an experimental study of the archetypical skyrmion-lattice compound MnSi, where we relate the characteristic types of point defects and their concentration to the magnetic properties by combining different types of positron spectroscopy with ab-initio calculations and bulk measurements. We find that Mn antisite disorder broadens the magnetic phase transitions and lowers their critical temperatures, whereas the skyrmion lattice phase forms for all samples studied underlining the robustness of this topologically non-trivial state. Taken together, this demonstrates the unprecedented sensitivity of positron spectroscopy in studies of new forms of electronic order.
Isotope signatures of N2O emitted from vegetable soil: Ammonia oxidation drives N2O production in NH4+-fertilized soil of North China
Authors: Zhang Wei , Li Yuzhong , Xu Chunying , Li Qiaozhen , Lin Wei
Published: July 2016

Nitrous oxide (N2O) is a potent greenhouse gas. In North China, vegetable fields are amended with high levels of N fertilizer and irrigation water, which causes massive N2O flux. The aim of this study was to determine the contribution of microbial processes to N2O production and characterize isotopic signature effects on N2O source partitioning. We conducted a microcosm study that combined naturally abundant isotopologues and gas inhibitor techniques to analyze N2O flux and its isotopomer signatures [δ15Nbulk, δ18O, and SP (intramolecular 15N site preference)] that emitted from vegetable soil after the addition of NH4+ fertilizers. The results show that ammonia oxidation is the predominant process under high water content (70% water-filled pore space), and nitrifier denitrification contribution increases with increasing N content. δ15Nbulk and δ18O of N2O may not provide information about microbial processes due to great shifts in precursor signatures and atom exchange, especially for soil treated with NH4+ fertilizer. SP and associated two end-member mixing model are useful to distinguish N2O source and contribution. Further work is needed to explore isotopomer signature stability to improve N2O microbial process identification.
Identification and Validation of HCC-specific Gene Transcriptional Signature for Tumor Antigen Discovery
Authors: Petrizzo Annacarmen , Caruso Francesca Pia , Tagliamonte Maria , Tornesello Maria Lina , Ceccarelli Michele , Costa Valerio , Aprile Marianna , Esposito Roberta , Ciliberto Gennaro , Buonaguro Franco M. , Buonaguro Luigi
Published: July 2016

A novel two-step bioinformatics strategy was applied for identification of signatures with therapeutic implications in hepatitis-associated HCC. Transcriptional profiles from HBV- and HCV-associated HCC samples were compared with non-tumor liver controls. Resulting HCC modulated genes were subsequently compared with different non-tumor tissue samples. Two related signatures were identified, namely “HCC-associated” and “HCC-specific”. Expression data were validated by RNA-Seq analysis carried out on unrelated HCC samples and protein expression was confirmed according to The Human Protein Atlas" (http://proteinatlas.org/), a public repository of immunohistochemistry data. Among all, aldo-keto reductase family 1 member B10, and IGF2 mRNA-binding protein 3 were found strictly HCC-specific with no expression in 18/20 normal tissues. Target peptides for vaccine design were predicted for both proteins associated with the most prevalent HLA-class I and II alleles. The described novel strategy showed to be feasible for identification of HCC-specific proteins as highly potential target for HCC immunotherapy.
The RNA Chaperone Hfq Is Essential for Virulence and Modulates the Expression of Four Adhesins in Yersinia enterocolitica
Authors: Kakoschke Tamara Katharina , Kakoschke Sara Carina , Zeuzem Catharina , Bouabe Hicham , Adler Kristin , Heesemann Jürgen , Rossier Ombeline
Published: July 2016

In Enterobacteriaceae, the RNA chaperone Hfq mediates the interaction of small RNAs with target mRNAs, thereby modulating transcript stability and translation. This post-transcriptional control helps bacteria adapt quickly to changing environmental conditions. Our previous mutational analysis showed that Hfq is involved in metabolism and stress survival in the enteropathogen Yersinia enterocolitica. In this study we demonstrate that Hfq is essential for virulence in mice and influences production of surface pathogenicity factors, in particular lipopolysaccharide and adhesins mediating interaction with host tissue. Hfq inhibited the production of Ail, the Ail-like protein OmpX and the MyfA pilin post-transcriptionally. In contrast Hfq promoted production of two major autotransporter adhesins YadA and InvA. While protein secretion in vitro was not affected, hfq mutants exhibited decreased protein translocation by the type III secretion system into host cells, consistent with decreased production of YadA and InvA. The influence of Hfq on YadA resulted from a complex interplay of transcriptional, post-transcriptional and likely post-translational effects. Hfq regulated invA by modulating the expression of the transcriptional regulators rovA, phoP and ompR. Therefore, Hfq is a global coordinator of surface virulence determinants in Y. enterocolitica suggesting that it constitutes an attractive target for developing new antimicrobial strategies.
Population imaging at subcellular resolution supports specific and local inhibition by granule cells in the olfactory bulb
Authors: Wienisch Martin , Murthy Venkatesh N.
Published: July 2016

Information processing in early sensory regions is modulated by a diverse range of inhibitory interneurons. We sought to elucidate the role of olfactory bulb interneurons called granule cells (GCs) in odor processing by imaging the activity of hundreds of these cells simultaneously in mice. Odor responses in GCs were temporally diverse and spatially disperse, with some degree of non-random, modular organization. The overall sparseness of activation of GCs was highly correlated with the extent of glomerular activation by odor stimuli. Increasing concentrations of single odorants led to proportionately larger population activity, but some individual GCs had non-monotonic relations to concentration due to local inhibitory interactions. Individual dendritic segments could sometimes respond independently to odors, revealing their capacity for compartmentalized signaling in vivo. Collectively, the response properties of GCs point to their role in specific and local processing, rather than global operations such as response normalization proposed for other interneurons.
Valley-engineered ultra-thin silicon for high-performance junctionless transistors
Authors: Kim Seung-Yoon , Choi Sung-Yool , Hwang Wan Sik , Cho Byung Jin
Published: July 2016

Extremely thin silicon show good mechanical flexibility because of their 2-D like structure and enhanced performance by the quantum confinement effect. In this paper, we demonstrate a junctionless FET which reveals a room temperature quantum confinement effect (RTQCE) achieved by a valley-engineering of the silicon. The strain-induced band splitting and a quantum confinement effect induced from ultra-thin-body silicon are the two main mechanisms for valley engineering. These were obtained from the extremely well-controlled silicon surface roughness and high tensile strain in silicon, thereupon demonstrating a device mobility increase of ~500% in a 2.5 nm thick silicon channel device.
β-glucuronidase mRNA levels are correlated with gait and working memory in premutation females: understanding the role of FMR1 premutation alleles
Authors: Kraan C. M. , Cornish K. M. , Bui Q. M. , Li X. , Slater H. R. , Godler D. E.
Published: July 2016

Fragile X tremor ataxia syndrome (FXTAS) is a late-onset disorder manifesting in a proportion of FMR1 premutation individuals (PM: 55-199 CGG triplet expansions). FXTAS is associated with elevated levels of FMR1 mRNA which are toxic. In this study, relationships between neurocognitive and intra-step gait variability measures with mRNA levels, measured in blood samples, were examined in 35 PM and 35 matched control females. The real-time PCR assays measured FMR1 mRNA, and previously used internal control genes: β-Glucuronidase (GUS), Succinate Dehydrogenase 1 (SDHA) and Eukaryotic Translation Initiation Factor 4A (EI4A2). Although there was significant correlation of gait variability with FMR1 mRNA levels (p = 0.004) when normalized to GUS (FMR1/GUS), this was lost when FMR1 was normalized to SDHA and EI4A2 (2IC). In contrast, GUS mRNA level normalized to 2IC showed a strong correlation with gait variability measures (p < 0.007), working memory (p = 0.001) and verbal intelligence scores (p = 0.008). PM specific changes in GUS mRNA were not mediated by FMR1 mRNA. These results raise interest in the role of GUS in PM related disorders and emphasise the importance of using appropriate internal control genes, which have no significant association with PM phenotype, to normalize FMR1 mRNA levels.
Transgenic Eimeria tenella as a vaccine vehicle: expressing TgSAG1 elicits protective immunity against Toxoplasma gondii infections in chickens and mice
Authors: Tang Xinming , Yin Guangwen , Qin Mei , Tao Geru , Suo Jingxia , Liu Xianyong , Suo Xun
Published: July 2016

The surface antigen 1 of Toxoplasma gondii (TgSAG1) is a major immunodominant antigen and is widely considered an ideal candidate for the development of an effective recombinant vaccine against toxoplasmosis. Eimeria tenella, an affinis apicomplexan parasite with T. gondii, is a potential vaccine vector carrying exogenous antigens that stimulates specific immune responses. Here, we engineered TgSAG1 into E. tenella and obtained a stably transfected E. tenella line (Et-TgSAG1). We found TgSAG1 localized on the cell surface of Et-TgSAG1, which is similar to its native distribution in T. gondii tachyzoites. We immunized the chickens with Et-TgSAG1 orally and detected TgSAG1-specific immune responses, which partly reduced T. gondii infection. In the mouse model, we immunized the mice with Et-TgSAG1 sporozoites intraperitoneally and challenged them with T. gondii tachyzoites RH strain. We found that the mice immunized with Et-TgSAG1 showed a TgSAG1 specific Th 1-dominant immune response and a prolonged survival time compared with wild-type E. tenella and non-immunized mice. Collectively, our results demonstrated that Et-TgSAG1, utilized as a recombinant vaccine against toxoplasmosis, could be applied in both chickens and mice. Our findings also provide a promising persuasion for the development of transgenic Eimeria as vaccine vectors for use in birds and mammals.
Manipulating one-way space wave and its refraction by time-reversal and parity symmetry breaking
Authors: Poo Yin , He Cheng , Xiao Chao , Lu Ming-Hui , Wu Rui-Xin , Chen Yan-Feng
Published: July 2016

One-way transmission and negative refraction are the exotic wave properties founded in photonic crystals which attract a great attention due to their promising applications in photonic devices. How to integrate such two phenomena in one material or device is interesting and valuable. In this work, we theoretically and experimentally demonstrate that one-way electromagnetic space wave can be realized by means of two-dimensional magnetic photonic crystals. Simultaneously breaking the time-reversal and parity symmetries of the magnetic photonic crystals designed, we observe oblique incident space wave propagating one-way in the magnetic photonic crystals with positive or negative refraction occurring at interfaces, which can be manipulated upon the incident angle and operating frequency. Our work may offer a potential platform to realize some exotic photoelectronic and microwave devices such as one-way imaging and one-way cloaking.
Paramagnetic Structures within a Microfluidic Channel for Enhanced Immunomagnetic Isolation and Surface Patterning of Cells
Authors: Sun Chen , Hassanisaber Hamid , Yu Richard , Ma Sai , Verbridge Scott S. , Lu Chang
Published: July 2016

In this report, we demonstrate a unique method for embedding magnetic structures inside a microfluidic channel for cell isolation. We used a molding process to fabricate these structures out of a ferrofluid of cobalt ferrite nanoparticles. We show that the embedded magnetic structures significantly increased the magnetic field in the channel, resulting in up to 4-fold enhancement in immunomagnetic capture as compared with a channel without these embedded magnetic structures. We also studied the spatial distribution of trapped cells both experimentally and computationally. We determined that the surface pattern of these trapped cells was determined by both location of the magnet and layout of the in-channel magnetic structures. Our magnetic structure embedded microfluidic device achieved over 90% capture efficiency at a flow velocity of 4 mm/s, a speed that was roughly two orders of magnitude faster than previous microfluidic systems used for a similar purpose. We envision that our technology will provide a powerful tool for detection and enrichment of rare cells from biological samples.
Caspase-3 dependent nitrergic neuronal apoptosis following cavernous nerve injury is mediated via RhoA and ROCK activation in major pelvic ganglion
Authors: Hannan Johanna L. , Matsui Hotaka , Sopko Nikolai A. , Liu Xiaopu , Weyne Emmanuel , Albersen Maarten , Watson Joseph W. , Hoke Ahmet , Burnett Arthur L. , Bivalacqua Trinity J.
Published: July 2016

Axonal injury due to prostatectomy leads to Wallerian degeneration of the cavernous nerve (CN) and erectile dysfunction (ED). Return of potency is dependent on axonal regeneration and reinnervation of the penis. Following CN injury (CNI), RhoA and Rho-associated protein kinase (ROCK) increase in penile endothelial and smooth muscle cells. Previous studies indicate that nerve regeneration is hampered by activation of RhoA/ROCK pathway. We evaluated the role of RhoA/ROCK pathway in CN regulation following CNI using a validated rat model. CNI upregulated gene and protein expression of RhoA/ROCK and caspase-3 mediated apoptosis in the major pelvic ganglion (MPG). ROCK inhibitor (ROCK-I) prevented upregulation of RhoA/ROCK pathway as well as activation of caspase-3 in the MPG. Following CNI, there was decrease in the dimer to monomer ratio of neuronal nitric oxide synthase (nNOS) protein and lowered NOS activity in the MPG, which were prevented by ROCK-I. CNI lowered intracavernous pressure and impaired non-adrenergic non-cholinergic-mediated relaxation in the penis, consistent with ED. ROCK-I maintained the intracavernous pressure and non-adrenergic non-cholinergic-mediated relaxation in the penis following CNI. These results suggest that activation of RhoA/ROCK pathway mediates caspase-3 dependent apoptosis of nitrergic neurons in the MPG following CNI and that ROCK-I can prevent post-prostatectomy ED.
Tick holocyclotoxins trigger host paralysis by presynaptic inhibition
Authors: Chand Kirat K. , Lee Kah Meng , Lavidis Nickolas A. , Rodriguez-Valle Manuel , Ijaz Hina , Koehbach Johannes , Clark Richard J. , Lew-Tabor Ala , Noakes Peter G.
Published: July 2016

Ticks are important vectors of pathogens and secreted neurotoxins with approximately 69 out of 692 tick species having the ability to induce severe toxicoses in their hosts. The Australian paralysis tick (Ixodes holocyclus) is known to be one of the most virulent tick species producing a flaccid paralysis and fatalities caused by a family of neurotoxins known as holocyclotoxins (HTs). The paralysis mechanism of these toxins is temperature dependent and is thought to involve inhibition of acetylcholine levels at the neuromuscular junction. However, the target and mechanism of this inhibition remain uncharacterised. Here, we report that three members of the holocyclotoxin family; HT-1 (GenBank AY766147), HT-3 (GenBank KP096303) and HT-12 (GenBank KP963967) induce muscle paralysis by inhibiting the dependence of transmitter release on extracellular calcium. Previous study was conducted using extracts from tick salivary glands, while the present study is the first to use pure toxins from I. holocyclus. Our findings provide greater insight into the mechanisms by which these toxins act to induce paralysis.
Dual focused coherent beams for three-dimensional optical trapping and continuous rotation of metallic nanostructures
Authors: Xu Xiaohao , Cheng Chang , Zhang Yao , Lei Hongxiang , Li Baojun
Published: July 2016

Metallic nanoparticles and nanowires are extremely important for nanoscience and nanotechnology. Techniques to optically trap and rotate metallic nanostructures can enable their potential applications. However, because of the destabilizing effects of optical radiation pressure, the optical trapping of large metallic particles in three dimensions is challenging. Additionally, the photothermal issues associated with optical rotation of metallic nanowires have far prevented their practical applications. Here, we utilize dual focused coherent beams to realize three-dimensional (3D) optical trapping of large silver particles. Continuous rotation of silver nanowires with frequencies measured in several hertz is also demonstrated based on interference-induced optical vortices with very low local light intensity. The experiments are interpreted by numerical simulations and calculations.
The role of graphene formed on silver nanowire transparent conductive electrode in ultra-violet light emitting diodes
Authors: Seo Tae Hoon , Lee Seula , Min Kyung Hyun , Chandramohan S. , Park Ah Hyun , Lee Gun Hee , Park Min , Suh Eun-Kyung , Kim Myung Jong
Published: July 2016

This paper reports a highly reliable transparent conductive electrode (TCE) that integrates silver nanowires (AgNWs) and high-quality graphene as a protecting layer. Graphene with minimized defects and large graphene domains has been successfully obtained through a facile two-step growth approach. Ultraviolet light emitting diodes (UV-LEDs) were fabricated with AgNWs or hybrid electrodes where AgNWs were combined with two-step grown graphene (A-2GE) or conventional one-step grown graphene (A-1GE). The device performance and reliability of the UV-LEDs with three different electrodes were compared. The A-2GE offered high figure of merit owing to the excellent UV transmittance and reduced sheet resistance. As a consequence, the UV-LEDs made with A-2GE demonstrated reduced forward voltage, enhanced electroluminescence (EL) intensity and alleviated efficiency droop. The effects of joule heating and UV light illumination on the electrode stability were also studied. The present findings prove superior performance of the A-2GE under high current injection and continuous operation of UV LED, compared to other electrodes. From our observation, the A-2GE would be a reliable TCE for high power UV-LEDs.
In vitro topological loading of bacterial condensin MukB on DNA, preferentially single-stranded DNA rather than double-stranded DNA
Authors: Niki Hironori , Yano Koichi
Published: July 2016

Condensin is the major driving force in the segregation of daughter chromosomes in prokaryotes. Core subunits of condensin belong to the SMC protein family, whose members are characterized by a unique ATPase activity and dimers with a V-shaped structure. The V-shaped dimers might close between head domains, forming a ring structure that can encircle DNA. Indeed, cohesin, which is a subfamily of SMC proteins, encircles double-stranded DNA to hold sister chromatids in eukaryotes. However, the question of whether or not condensin encircles the chromosomal DNA remains highly controversial. Here we report that MukB binds topologically to DNA in vitro and this binding is preferentially single-stranded DNA (ssDNA) rather than double-stranded DNA. The binding of MukB to ssDNA does not require ATP. In fact, thermal energy enhances the binding. The non-SMC subunits MukF and MukE did stimulate the topological binding of MukB, although they hindered DNA-binding of MukB. Recent reports on the distribution of condensin in genomes reveal that actively transcribed genes in yeast and humans are enriched in condensin. In consideration of all these results, we propose that the binding specificity of condensin to chromosome is provided not by the DNA sequence but by the DNA structure, which is ssDNA.
Aqueous Phase Synthesis and Enhanced Field Emission Properties of ZnO-Sulfide Heterojunction Nanowires
Authors: Wang Guojing , Li Zhengcao , Li Mingyang , Chen Chienhua , Lv Shasha , Liao Jiecui
Published: July 2016

ZnO-CdS, ZnO-ZnS and ZnO-Ag2S core-shell heterojunction structures were fabricated using low-temperature, facile and simple aqueous solution approaches. The polycrystalline sulfide shells effectively enhance the field emission (FE) properties of ZnO nanowires arrays (NWAs). This results from the formation of the staggered gap heterointerface (ZnO-sulfide) which could lead to an energy well at the interfaces. Hence, electrons can be collected when an electric field is applied. It is observed that ZnO-ZnS NWAs have the lowest turn-on field (3.0 Vμm−1), compared with ZnO-CdS NWAs (6.3 Vμm−1) and ZnO-Ag2S NWAs (5.0 Vμm−1). This may be associated with the pyramid-like ZnS shell which increases the number of emission nanotips. Moreover, the Fowler-Nordheim (F-N) plot displays a nonlinear relationship in the low and high electric field regions caused by the double well potential effect of the heterojunction structures.
Effect of solution treatment on stress corrosion cracking behavior of an as-forged Mg-Zn-Y-Zr alloy
Authors: Wang S. D. , Xu D. K. , Wang B. J. , Sheng L. Y. , Han E. H. , Dong C.
Published: July 2016

Effect of solid solution treatment (T4) on stress corrosion cracking (SCC) behavior of an as-forged Mg-6.7%Zn-1.3%Y-0.6%Zr (in wt.%) alloy has been investigated using slow strain rate tensile (SSRT) testing in 3.5 wt.% NaCl solution. The results demonstrated that the SCC susceptibility index (ISCC) of as-forged samples was 0.95 and its elongation-to-failure (εf) was only 1.1%. After T4 treatment, the SCC resistance was remarkably improved. The ISCC and εf values of T4 samples were 0.86 and 3.4%, respectively. Fractography and surface observation indicated that the stress corrosion cracking mode for as-forged samples was dominated by transgranular and partially intergranular morphology, whereas the cracking mode for T4 samples was transgranular. In both cases, the main cracking mechanism was associated with hydrogen embrittlement (HE). Through alleviating the corrosion attack of Mg matrix, the influence of HE on the SCC resistance of T4 samples can be greatly suppressed.
Molecular Dynamics Simulations Reveal that Water Diffusion between Graphene Oxide Layers is Slow
Authors: Devanathan Ram , Chase-Woods Dylan , Shin Yongsoon , Gotthold David W.
Published: July 2016

Membranes made of stacked layers of graphene oxide (GO) hold the tantalizing promise of revolutionizing desalination and water filtration if selective transport of molecules can be controlled. We present the findings of an integrated study that combines experiment and molecular dynamics simulation of water intercalated between GO layers. We simulated a range of hydration levels from 1 wt.% to 23.3 wt.% water. The interlayer spacing increased upon hydration from 0.8 nm to 1.1 nm. We also synthesized GO membranes that showed an increase in layer spacing from about 0.7 nm to 0.8 nm and an increase in mass of about 15% on hydration. Water diffusion through GO layers is an order of magnitude slower than that in bulk water, because of strong hydrogen bonded interactions. Most of the water molecules are bound to OH groups even at the highest hydration level. We observed large water clusters that could span graphitic regions, oxidized regions and holes that have been experimentally observed in GO. Slow interlayer diffusion can be consistent with experimentally observed water transport in GO if holes lead to a shorter path length than previously assumed and sorption serves as a key rate-limiting step.
Longitudinal live imaging of retinal α-synuclein::GFP deposits in a transgenic mouse model of Parkinson’s Disease/Dementia with Lewy Bodies
Authors: Price Diana L. , Rockenstein Edward , Mante Michael , Adame Anthony , Overk Cassia , Spencer Brian , Duong-Polk Karen X. , Bonhaus Douglas , Lindsey James , Masliah Eliezer
Published: July 2016

Abnormal α-synuclein (α-syn) accumulation in the CNS may underlie neuronal cell and synaptic dysfunction leading to motor and cognitive deficits in synucleinopathies including Parkinson’s disease (PD) and Dementia with Lewy Bodies (DLB). Multiple groups demonstrated α-syn accumulation in CNS accessory structures, including the eyes and olfactory terminals, as well as in peripheral organs of Parkinsonian patients. Retinal imaging studies of mice overexpressing fused α-syn::GFP were conducted to evaluate the presence and progression of retinal pathology in a PD/DLB transgenic mouse model. Bright-field image retinal maps and fluorescent images were acquired at 1-month intervals for 3 months. Retinal imaging revealed the accumulation of GFP-tagged α-syn in retinal ganglion cell layer and in the edges of arterial blood vessels in the transgenic mice. Double labeling studies confirmed that the α-syn::GFP-positive cells were retinal ganglion cells containing α-syn. Accumulation of α-syn persisted in the same cells and increased with age. Accumulation of α-syn::GFP was reduced by immunization with single chain antibodies against α-syn. In conclusion, longitudinal live imaging of the retina in the PDGF-α-syn::GFP mice might represent a useful, non-invasive tool to monitor the fate of α-syn accumulation in the CNS and to evaluate the therapeutic effects of compounds targeting α-syn.
Superoxide dismutase 2 knockdown leads to defects in locomotor activity, sensitivity to paraquat, and increased cuticle pigmentation in Tribolium castaneum
Authors: Tabunoki Hiroko , Gorman Maureen J. , Dittmer Neal T. , Kanost Michael R.
Published: July 2016

Insects can rapidly adapt to environmental changes through physiological responses. The red flour beetle Tribolium castaneum is widely used as a model insect species. However, the stress–response system of this species remains unclear. Superoxide dismutase 2 (SOD2) is a crucial antioxidative enzyme that is found in mitochondria. T. castaneum SOD2 (TcSOD2) is composed of 215 amino acids, and has an iron/manganese superoxide dismutase domain. qRT-PCR experiments revealed that TcSOD2 was present through all developmental stages. To evaluate TcSOD2 function in T. castaneum, we performed RNAi and also assessed the phenotype and antioxidative tolerance of the knockdown of TcSOD2 by exposing larvae to paraquat. The administration of paraquat resulted in significantly higher 24-h mortality in TcSOD2 knockdown larval groups than in the control groups. The TcSOD2 knockdown adults moved significantly more slowly, had lower ATP content, and exhibited a different body color from the control groups. We found that TcSOD2 dsRNA treatment in larvae resulted in increased expression of tyrosinase and laccase2 mRNA after 10 days. This is the first report showing that TcSOD2 has an antioxidative function and demonstrates that T. castaneum may use an alternative antioxidative system when the SOD2-based system fails.
Rapid, accurate, and comparative differentiation of clinically and industrially relevant microorganisms via multiple vibrational spectroscopic fingerprinting
Authors: Muhamadali Howbeer , Subaihi Abdu , Mohammadtaheri Mahsa , Xu Yun , Ellis David I. , Ramanathan Rajesh , Bansal Vipul , Goodacre Royston
Published: July 2016

Comparison of the applicability and accuracy of FT-IR, Raman and SERS, as physicochemical whole organism fingerprinting approaches, for differentiation of a range of microbial samples.
MIR-biospectroscopy coupled with chemometrics in cancer studies
Authors: Siqueira Laurinda F. S. , Lima Kássio M. G.
Published: July 2016

This review focuses on chemometric techniques applied in MIR-biospectroscopy for cancer diagnosis and analysis over the last ten years of research.
Determination of trace sulfonamides in foodstuffs by HPLC using a novel mixed-mode functionalized ferrocene sorbent for solid-phase extraction cleanup
Authors: Qiao Lijun , Zhou Xiaohua , Zhang Yanhao , Yu Ajuan , Zhang Shusheng , Wu Yangjie
Published: July 2016

In this paper, a rapid and effective HPLC method, using a new 4-chloro-6-pyrimidinylferrocene-modified silica gel (NFcSi) as a solid-phase extraction (SPE) sorbent, was developed for the purification and determination of trace sulfonamides in foodstuffs.
Development and validation of a fast and simple HPLC method for the simultaneous determination of aniline and its degradation products in wastewater
Authors: Boulahlib Soumia , Boudina Ali , Si-Ahmed Kahina , Bessekhouad Yassine , Trari Mohamed
Published: July 2016

In this study, a rapid and simple method based on reversed-phase high performance liquid chromatography (RP-HPLC) using a photodiode array detector (PDA) for the simultaneous analysis of five pollutants including aniline and its degradation products, para-aminophenol, meta-aminophenol, ortho-aminophenol and phenol, was developed.
Reactions of a cerium(iii) amide with heteroallenes: insertion, silyl-migration and de-insertion
Authors: Yin Haolin , Carroll Patrick J. , Schelter Eric J.
Published: July 2016

Reactions of Ce[N(SiMe3)PhF]3 (–PhF = pentafluorophenyl) toward small molecules of the type E1CE2 (E1, E2 = O, S, NR), including carbon disulfide, carbodiimide, carbon dioxide, isocyanate and isothiocyanate are reported, resulting in distinct products, including cerium(iii) dithiocarbamate, cerium(iii) guanidinate, isocyanates and unsymmetric carbodiimides.
Indomethacin-guided cancer selective prodrug conjugate activated by histone deacetylase and tumour-associated protease
Authors: Jang Joo Hee , Lee Hoyeon , Sharma Amit , Lee Sang Min , Lee Tae Hoon , Kang Chulhun , Kim Jong Seung
Published: July 2016

Indomethacin-guided cancer selective prodrug system activated by histone deacetylase and tumour-associated protease.
Alignment of paired molecules of C60 within a hexagonal platform networked through hydrogen-bonds
Authors: Hisaki Ichiro , Nakagawa Shoichi , Sato Hiroyasu , Tohnai Norimitsu
Published: July 2016

A hydrogen-bonded low-density organic framework achieved periodic alignment of paired molecules of C60.
Stabilizing a high-temperature electrochemical silver-carbonate CO2 capture membrane by atomic layer deposition of a ZrO2 overcoat
Authors: Zhang Peng , Tong Jingjing , Jee Youngseok , Huang Kevin
Published: July 2016

A high-selectivity and high-flux electrochemical silver-carbonate dual-phase membrane was coated with a nanoscaled ZrO2 layer by atomic layer deposition (ALD) for stable CO2 capture at high temperatures (≥800 °C).
Lewis acid catalyzed [2+2] cycloaddition of ynamides and propargyl silyl ethers: synthesis of alkylidenecyclobutenones and their reactivity in ring-opening and ring expansion
Authors: Chen Ling , Cao Jian , Xu Zheng , Zheng Zhan-Jiang , Cui Yu-Ming , Xu Li-Wen
Published: July 2016

A family of four-membered enones, polysubstituted alkylidenecyclobutenones, were easily prepared by the Lewis acid catalyzed formal [2+2] cycloaddition of ynamides and propargyl silyl ethers.
Bis(mesitoyl)phosphinic acid: photo-triggered release of metaphosphorous acid in solution
Authors: Fast David E. , Zalibera Michal , Lauer Andrea , Eibel Anna , Schweigert Caroline , Kelterer Anne-Marie , Spichty Martin , Neshchadin Dmytro , Voll Dominik , Ernst Hanna , Liang Yu , Dietliker Kurt , Unterreiner Andreas-Neil , Barner-Kowollik Christopher , Grützmacher Hansjörg , Gescheidt Georg
Published: July 2016

We report a photo-triggered, two-step fragmentation mechanism generating metaphosphorous acid.
Vapor pressure of ionic liquids at low temperatures from AC-chip-calorimetry
Authors: Ahrenberg Mathias , Beck Martin , Neise Christin , Keßler Olaf , Kragl Udo , Verevkin Sergey P. , Schick Christoph
Published: July 2016

A new method for the determination of vaporization enthalpies of ionic liquids using mass loss rates from AC-chip-calorimetry at low temperatures and a reliable estimate of the boiling temperature of [EMIm][NTf2] (Tb = (1120 ± 50) K).
CO oxidation catalyzed by the single Co atom embedded hexagonal boron nitride nanosheet: a DFT-D study
Authors: Lu Zhansheng , Lv Peng , Liang Yanli , Ma Dongwei , Zhang Yi , Zhang Wenjin , Yang Xinwei , Yang Zongxian
Published: July 2016

A single metal atom stabilized on two dimensional materials (such as graphene and h-BN) exhibits extraordinary activity in the oxidation of CO.
The prediction of hole mobility in organic semiconductors and its calibration based on the grain-boundary effect
Authors: Park Jin Woo , Lee Kyu Il , Choi Youn-Suk , Kim Jung-Hwa , Jeong Daun , Kwon Young-Nam , Park Jong-Bong , Ahn Ho Young , Park Jeong-Il , Lee Hyo Sug , Shin Jaikwang
Published: July 2016

A new reliable computational model to predict the hole mobility of poly-crystalline organic semiconductors in thin films was developed.
A salt bridge turns off the foot-pocket in class-II HDACs
Authors: Zhou Jingwei , Yang Zuolong , Zhang Fan , Luo Hai-Bin , Li Min , Wu Ruibo
Published: July 2016

It is for the first time revealed that a conserved R–E salt bridge turns off the foot-pocket in class-II HDACs.
Oxygen-driven transition from two-dimensional to three-dimensional transport behaviour in β-Li3PS4 electrolyte
Authors: Wang Xuelong , Xiao Ruijuan , Li Hong , Chen Liquan
Published: July 2016

Oxygen doping in β-Li3PS4 was found to be a promising strategy to stabilize the phase and improve the ionic conduction.
First-principles analysis of the spectroscopic limited maximum efficiency of photovoltaic absorber layers for CuAu-like chalcogenides and silicon
Authors: Bercx Marnik , Sarmadian Nasrin , Saniz Rolando , Partoens Bart , Lamoen Dirk
Published: July 2016

For low band gap compounds, it is possible to cross the SQ limit within the detailed balance framework.
The role of the substrate structure in the on-surface synthesis of organometallic and covalent oligophenylene chains
Authors: Dai Jingya , Fan Qitang , Wang Tao , Kuttner Julian , Hilt Gerhard , Gottfried J. Michael , Zhu Junfa
Published: July 2016

Depending on the substrate temperature, the deposition of DMTP molecules on a Cu(110) surface can result in the formation of either organometallic or oligophenylene zigzag chains.
A rational synthesis of hierarchically porous, N-doped carbon from Mg-based MOFs: understanding the link between nitrogen content and oxygen reduction electrocatalysis
Authors: Eisenberg David , Stroek Wowa , Geels Norbert J. , Tanase Stefania , Ferbinteanu Marilena , Teat Simon J. , Mettraux Pierre , Yan Ning , Rothenberg Gadi
Published: July 2016

The nitrogen content of porous carbons prepared from Mg-based MOFs, could be easily controlled by simply varying the solution pH.
QM/MM study of the mechanism of reduction of 3-hydroxy-3-methylglutaryl coenzyme A catalyzed by human HMG-CoA reductase
Authors: Oliveira Eduardo F. , Cerqueira Nuno M. F. S. A. , Ramos Maria J. , Fernandes Pedro A.
Published: July 2016

Detailing with atomistic resolution the reaction mechanism of human HMG-CoA reductase (HMG-CoA-R) might provide valuable insights for the development of new cholesterol-lowering drugs.
RuII, IrIIIand OsIImesoionic carbene complexes: efficient catalysts for transfer hydrogenation of selected functionalities
Authors: Bolje Aljoša , Hohloch Stephan , Košmrlj Janez , Sarkar Biprajit
Published: July 2016

Pyridine- and pyrimidine-appended triazolylidene donors are used as ligands for the transfer hydrogenation of a series of functionalities.
Unexpected formation of a fused double cycle trinuclear gold(i) complex supported by ortho-phenyl metallated aryl-diphosphine ligands and strong aurophilic interactions
Authors: Jobbágy Csaba , Baranyai Péter , Szabó Pál , Holczbauer Tamás , Rácz Barbara , Li Liang , Naumov Panče , Deák Andrea
Published: July 2016

The first homoleptic trinuclear arylgold(i) complex, [Au3(L′)2](NO3) (3), has been obtained through a new thermolytic reaction of [Au2(L)2](NO3)2(1).
Design and synthesis of novel organometallic dyes for NiO sensitization and photo-electrochemical applications
Authors: Massin Julien , Lyu Siliu , Pavone Michele , Muñoz-García Ana B. , Kauffmann Brice , Toupance Thierry , Chavarot-Kerlidou Murielle , Artero Vincent , Olivier Céline
Published: July 2016

Two metallo-organic dyes were synthesized and used for NiO sensitization in view of their photoelectrochemical applications.
Performance of a composite bioactive membrane for H2production and capture from high strength wastewater
Authors: Prieto Ana L. , Sigtermans Louis H. , Mutlu Baris R. , Aksan Alptekin , Arnold William A. , Novak Paige J.
Published: July 2016

In this study, a composite bioactive membrane was developed and tested to generate and capture hydrogen (H2) during the process of wastewater treatment.
Fueling biomass-degrading oxidative enzymes by light-driven water oxidation
Authors: Bissaro Bastien , Forsberg Zarah , Ni Yan , Hollmann Frank , Vaaje-Kolstad Gustav , Eijsink Vincent G. H.
Published: July 2016

Light-driven oxidation of water catalyzed by a photocatalyst can fuel the activity of LPMOs, key enzymes in the processing of recalcitrant polysaccharides.
On-demand droplet splitting using surface acoustic waves
Authors: Jung Jin Ho , Destgeer Ghulam , Ha Byunghang , Park Jinsoo , Sung Hyung Jin
Published: July 2016

We demonstrated the operation of an acoustomicrofluidic device composed of a polydimethylsiloxane (PDMS) microchannel and a slanted-finger interdigitated transducer (SF-IDT), for the on-demand splitting of droplets in an active, accurate, rapid, and size-controllable manner.
From linked open data to molecular interaction: studying selectivity trends for ligands of the human serotonin and dopamine transporter
Authors: Zdrazil Barbara , Hellsberg Eva , Viereck Michael , Ecker Gerhard F.
Published: July 2016

Retrieval of consistent SAR data sets is a challenging task. Combining integrated open data sources with workflow tools allows studying selectivity trends of compound series.
Traceless solid-phase α-hydroxytropolone synthesis
Authors: D'Erasmo Michael P. , Masaoka Takashi , Wilson Jennifer A. , Hunte Errol M. , Beutler John A. , Le Grice Stuart F. J. , Murelli Ryan P.
Published: July 2016

α-Hydroxytropolones are established inhibitors of several therapeutically relevant binuclear metalloenzymes. A solid-phase adaptation to an oxidopyrylium cycloaddition/ring-opening procedure is described that allows for rapid parallel synthesis.
Synthetic α-hydroxytropolones as inhibitors of HIV reverse transcriptase ribonuclease H activity
Authors: Murelli Ryan P. , D'Erasmo Michael P. , Hirsch Danielle R. , Meck Christine , Masaoka Takashi , Wilson Jennifer A. , Zhang Baofeng , Pal Rajat K. , Gallicchio Emilio , Beutler John A. , Le Grice Stuart F. J.
Published: July 2016

HIV reverse transcriptase-associated ribonuclease H activity is a promising enzymatic target for drug development. The following describes the activity of synthetic α-hydroxytropolones in HIV ribonuclease H-associated assays.
Anticancer agents interacting with membrane glucose transporters
Authors: Granchi C. , Fortunato S. , Minutolo F.
Published: July 2016

The altered metabolism observed in cancer cells generally consists of increased glucose uptake and glycolytic activity.
Design, synthesis and P-gp induction activity of aryl phosphonate esters: identification of tetraethyl-2-phenylethene-1,1-diyldiphosphonate as an orally bioavailable P-gp inducer
Authors: Manda Sudhakar , Wani Abubakar , Bharate Sonali S. , Vishwakarma Ram A. , Kumar Ajay , Bharate Sandip B.
Published: July 2016

The P-gp induction activity of SR12813 and its analogs has been reported.
Two energetic complexes incorporating 3,5-dinitrobenzoic acid and azole ligands: microwave-assisted synthesis, favorable detonation properties, insensitivity and effects on the thermal decomposition of RDX
Authors: Yang Qi , Ge Jing , Gong Qibing , Song Xiaxia , Zhao Jinwen , Wei Qing , Xie Gang , Chen Sanping , Gao Shengli
Published: July 2016

The two energetic complexes reported may act as attractive candidates for green propellants.
Interconnected core–shell pyrolyzed polyacrylonitrile@sulfur/carbon nanocomposites for rechargeable lithium–sulfur batteries
Authors: Chang Zhi , Dou Hui , Ding Bing , Wang Jie , Wang Ya , Xu Guiyin , Li Cheng
Published: July 2016

Interconnected core–shell pyrolyzed polyacrylonitrile@sulfur/carbon nanocomposites have been prepared and adopted as cathode materials to prevent the irreversible deposition of insoluble discharge products, leading to improved cyclic stability for lithium–sulfur batteries.
Catalyst-free Biginelli-type synthesis of new functionalized 4,7-dihydropyrazolo[1,5-a]pyrimidines
Authors: Kolosov Maksim A. , Beloborodov Dmitriy A. , Orlov Valeriy D. , Dotsenko Victor V.
Published: July 2016

New pyrazolopyrimidines and pyrazoloquinazolines were synthesized through the uncatalyzed reaction of 5-amino-3-arylpyrazole-4-carbonitriles with aldehydes and 1,3-dicarbonyl compounds.
Chiral, triformylphenol-derived salen-type [4 + 6] organic cages
Authors: Petryk M. , Szymkowiak J. , Gierczyk B. , Spólnik G. , Popenda Ł. , Janiak A. , Kwit M.
Published: July 2016

A new class of functionalized [4 + 6] tetrahedral imine cage compounds from triformylphenol and various vicinal diamines.
Role of functional groups on protonated de-oiled soybean involved in triclosan biosorption from aqueous solution
Authors: Gao Jing-Feng , Si Chun-Ying , Li Hong-Yu
Published: July 2016

The contribution of functional groups such as amine, carboxyl, sulfhydryl, phosphate and lipids on protonated de-oiled soybean (PDOS) to triclosan (TCS) biosorption was evaluated by means of chemical modification.
Optimized design of multi-shell ZnO/TiO2/ZnSe nanowires decorated with Ag nanoparticles for photocatalytic applications
Authors: Zhan Li , He Jialun , Wang Weiping , Zheng Xuanli , Cao Yiyan , Yin Jun , Kong Lijing , Zou Qiang , Bhutto Waseem Ahmed , Chen Xiaohong , Li Shuping , Wu Zhiming , Kang Junyong
Published: July 2016

The photocatalytic activity of ZnO/TiO2/Ag/ZnSe nanowires was significantly enhanced under light irradiation compared with that of ZnO/TiO2/ZnSe/Ag nanowires.
Electrochemical and electromechanical properties of superior-performance hybrid polymer actuators exhibiting synergistic effects due to manganese oxide and multi-walled carbon nanotubes on various ionic liquids
Authors: Terasawa Naohiro , Asaka Kinji
Published: July 2016

The performance of hybrid (electrostatic double-layer/faradaic capacitor) polymer actuators that exploit the synergy between MWCNTs and MnO2 was explored.
Amorphous Ti(iv)-modified Bi2WO6 with enhanced photocatalytic performance
Authors: Xu Ying , Song Jia , Chen Feng , Wang Xuefei , Yu Huogen , Yu Jiaguo
Published: July 2016

Amorphous TiO2 can function as an excellent hole cocatalyst to greatly improve the photocatalytic performance of a Bi2WO6 photocatalyst.
Controllable high-throughput fabrication of porous gold nanorods driven by Rayleigh instability
Authors: Xu Shang , Joseph Sona , Zhang Hongti , Lou Jun , Lu Yang
Published: July 2016

Porous gold nanorods with uniform diameters can be obtained by dealloying of fragmented Au–Ag nanowires, driven by Rayleigh instability.
Nitrogen, phosphorus co-doped carbon dots/CoS2hybrid for enhanced electrocatalytic hydrogen evolution reaction
Authors: Wang Liping , Zhao Shunyan , Wu Xiuqin , Guo Sijie , Liu Juan , Liu Naiyun , Huang Hui , Liu Yang , Kang Zhenhui
Published: July 2016

A nitrogen, phosphorus co-doped carbon dots/CoS2hybrid was synthesized as electrocatalyst for hydrogen evolution reaction with desirable electrocatalytic activities (low overpotential ∼78 mV, small Tafel slope ∼76 mV dec−1) and long-term stability in acidic media.