bluuebunny/crossref_metadata_2025 huggingface dataset:
Photoelectron spectroscopic study of electronic state and surface structure of In2O3 single crystals
Authors: Nagata Takahiro , Bierwagen Oliver , Galazka Zbigniew , Imura Masataka , Ueda Shigenori , Yoshikawa Hideki , Yamashita Yoshiyuki , Chikyow Toyohiro
Published: December 2016

The electronic states and band bending behavior of melt-grown In2O3 single crystals were investigated by combining surface-sensitive soft- and bulk-sensitive hard-X-ray photoelectron spectroscopies. The as-grown In2O3 crystal had a higher density of in-gap states related to oxygen vacancies than the In2O3 crystal annealed in air at 1000 °C. Nevertheless, the polished surfaces of both samples had surface electron accumulation layers (SEALs) with similar Fermi level pinning energies at the surface. The estimated peak carrier density at the surface of both samples was 1.2 × 1020 cm−3. The SEALs may originate from defects due to surface polishing or adsorbates.
Metastable crystal growth of acetaminophen using solution-mediated phase transformation
Authors: Mori Yoichiro , Maruyama Mihoko , Takahashi Yoshinori , Yoshikawa Hiroshi Y. , Okada Shino , Adachi Hiroaki , Sugiyama Shigeru , Takano Kazufumi , Murakami Satoshi , Matsumura Hiroyoshi , Inoue Tsuyoshi , Yoshimura Masashi , Mori Yusuke
Published: December 2016

We report a new method of obtaining the metastable phase form II crystals of acetaminophen. Solution-mediated phase transformation (SMPT) from trihydrate into form II is utilized to obtain form II crystals. SMPT is triggered by seeding form II crystals into a saturated solution including trihydrate crystals, which are less stable than form II crystals. Form II seed crystals gradually grew at the expense of the dissolving trihydrate crystals, and finally, all the trihydrate crystals in solution were transformed into form II crystals in about 4 h. Thus, we conclude that SMPT is effective for the production of form II crystals.
Correlation of trap states with negative bias thermal illumination stress stabilities in amorphous In–Ga–Zn–O thin-film transistors studied by photoinduced transient spectroscopy
Authors: Hayashi Kazushi , Ochi Mototaka , Hino Aya , Tao Hiroaki , Goto Hiroshi , Kugimiya Toshihiro
Published: December 2016

Negative bias thermal illumination stress (NBTIS) stabilities in amorphous In–Ga–Zn–O (a-IGZO) thin-film transistors (TFTs) were studied by photoinduced transient spectroscopy (PITS). The degradation of TFT performance correlated with trap states in the channel region of a-IGZO TFTs with an etch stop layer (ESL). A prominent peak at approximately 100 K was observed in a-IGZO formed under a partial pressure (p/p) of 4% O2. With increasing O2 p/p, an apparent shoulder of around 230 K appeared in PITS spectra. A higher flow rate of SiH4/N2O for the ESL deposition induced trap states associated with the 230 K peak. The peak at approximately 100 K could originate from the depletion of Zn by preannealing, while the peak at approximately 230 K should be attributed to the oxygen-deficient and/or Zn-rich defects due to the formation of OH in a-IGZO. The trap states in a-IGZO TFTs gave rise to degradation in terms of NBTIS. The threshold voltage shift (ΔV
th) was 2.5 V, but it increased with the O2 p/p as well as the flow rate of SiH4/N2O for ESL deposition. The time dependence of ΔV
th suggested that hydrogen from the ESL and/or in the a-IGZO thin films was incorporated and modified the trap states in the channel region of the a-IGZO TFTs.
Probabilistic adaptation in changing microbial environments
Authors: Katz Yarden , Springer Michael
Published: December 2016

Microbes growing in animal host environments face fluctuations that have elements of both randomness and predictability. In the mammalian gut, fluctuations in nutrient levels and other physiological parameters are structured by the host’s behavior, diet, health and microbiota composition. Microbial cells that can anticipate environmental fluctuations by exploiting this structure would likely gain a fitness advantage (by adapting their internal state in advance). We propose that the problem of adaptive growth in structured changing environments, such as the gut, can be viewed as probabilistic inference. We analyze environments that are “meta-changing”: where there are changes in the way the environment fluctuates, governed by a mechanism unobservable to cells. We develop a dynamic Bayesian model of these environments and show that a real-time inference algorithm (particle filtering) for this model can be used as a microbial growth strategy implementable in molecular circuits. The growth strategy suggested by our model outperforms heuristic strategies, and points to a class of algorithms that could support real-time probabilistic inference in natural or synthetic cellular circuits.
Anthropogenic impacts in protected areas: assessing the efficiency of conservation efforts using Mediterranean ant communities
Authors: Angulo Elena , Boulay Raphaël , Ruano Francisca , Tinaut Alberto , Cerdá Xim
Published: December 2016

In countries with high levels of urbanization, protected areas are often subject to human disturbance. In addition to dealing with fragmentation, land managers also have to confront the loss of characteristic ecosystems due to biotic homogenization, which is the increasing similarity of species assemblages among geographically separate regions. Using ants as a model system, we explored whether anthropogenic factors negatively affect biodiversity of protected areas of a regional network. We first analysed the effect of fragmentation and human activity on ant biodiversity within protected areas. Secondly, we tested whether homogenization could occur among protected areas. We sampled 79 plots in the most common habitats of 32 protected areas in southern Spain and calculated ant community richness and diversity indices, endemic richness, and Bray–Curtis similarity indices (between pairs of plots). We related these indices with patch fragmentation and human disturbance variables, taking into account environmental, spatial and landscape covariates. We used ANOSIM to test for differences between similarity indices, specifically among levels of anthropogenic disturbance. Species richness was positively correlated with the distance from the border of the protected areas and the number of endemic species was negatively correlated with the degree of fragmentation. Ant communities were similar within each protected area but differed across regions. Human disturbance was not correlated with community similarity among sampling points. Our approach suggests how the ability of European protected areas to sustain biodiversity is limited because they remain susceptible to anthropogenic impacts. Although ant communities maintained their biological distinctiveness, we reveal how fragmentation within protected areas is important for community richness and endemism maintenance.
Examination ofMycobacterium aviumsubspeciesparatuberculosismixed genotype infections in dairy animals using a whole genome sequencing approach
Authors: Davidson Fraser W. , Ahlstrom Christina , De Buck Jeroen , Whitney Hugh G. , Tahlan Kapil
Published: December 2016

Many pathogenic mycobacteria are known to cause severe disease in humans and animals.M. aviumsubspeciesparatuberculosis(Map) is the causative agent of Johne’s disease—a chronic wasting disease affecting ruminants such as cattle and sheep, responsible for significant economic losses in the dairy and beef industries. Due to the lack of treatment options or effective vaccines, mitigating losses can be difficult. In addition, the early stages ofMapinfection may occur in asymptomatic hosts that continue to shed viable bacteria in their faeces, leading to the infection of other healthy animals. Using multi-locus short sequence repeat (ML-SSR) analysis we previously reported that individual Johne’s positive dairy cattle from farms across the island of Newfoundland were infected byMapwith multiple SSR-types simultaneously. The occurrence of multiple mixed genotype infections has the potential to change pathogen and disease dynamics as well as reduce the efficacy of treatments and vaccines. Therefore, we conducted whole genome sequencing (WGS) and single nucleotide polymorphism (SNP) analysis on a subset of these isolates for a more in-depth examination. We also implemented a PCR assay using two discriminatory SNPs and demonstrated the incidence of a mixed infection by three genotypically diverseMapisolates in a single animal. In addition, results show that WGS and SNP analysis can provide a better understanding of the relationship betweenMapisolates from individual and different animals. In the future such studies on the occurrence of mixed genotype infections could potentially lead to the identification of variable pathogenicity of different genotypes and allow for better tracking ofMapisolates for epidemiological studies.
Analysis of supersubstorm events with reference to polar cap potential and polar cap index
Authors: Adhikari Binod , Baruwal Prashrit , Chapagain Narayan P.
Published: December 2016

The coupling process between solar wind‐magnetosphere‐ionosphere is an important physical 14 mechanism for the delineating concept of the magnetosphere‐ionosphere system. In this work, we have studied the polar cap potential (PCV) and merging electric field (Em) during three different supersubstorm (SSS) events. We have also studied the roles of polar cap index and auroral electrojet (AE) indices to observe polar cap activity during SSSs. To substantiate results, wavelet transform and cross‐correlation techniques are used. We checked the cross correlation of PCV with AE, SYM‐H, Bz, X, Y, and Ey individually. Positive good correlation of PCV with AE and SYM‐H is obtained. Observing and obtaining these results, PCV shows the significant effects during geomagnetic activity (SSSs) generated by geoeffective solar wind parameters.
Five solar geoengineering tropes that have outstayed their welcome
Authors: Reynolds Jesse L. , Parker Andy , Irvine Peter
Published: December 2016

In the last decade, solar geoengineering (solar radiation management, or SRM) has received increasing consideration as a potential means to reduce risks of anthropogenic climate change. Some ideas regarding SRM that have been proposed have receded after being appropriately scrutinized, while others have strengthened through testing and critique. This process has improved the understanding of SRM's potential and limitations. However, several claims are frequently made in the academic and popular SRM discourses and, despite evidence to the contrary, pose the risk of hardening into accepted facts. Here, in order to foster a more productive and honest debate, we identify, describe, and refute five of the most problematic claims that are unsupported by existing evidence, unlikely to occur, or greatly exaggerated. These are: (A) once started, SRM cannot be stopped; (B) SRM is a right‐wing project; (C) SRM would cost only a few billion dollars per year; (D) modeling studies indicate that SRM would disrupt monsoon precipitation; and (E) there is an international prohibition on outdoors research. SRM is a controversial proposed set of technologies that could prove to be very helpful or very harmful, and it warrants vigorous and informed public debate. By highlighting and debunking some persistent but unsupported claims, this paper hopes to bring rigor to such discussions.
Interplay between grain protrusion and sediment entrainment in an experimental flume
Authors: Masteller Claire C. , Finnegan Noah J.
Published: December 2016

Bed load sediment transport is typically formulated as a nonlinear function of the shear stress exerted on the bed in excess of a critical value. However, due to the inherent spatial variability in grain packing and protrusion on water‐worked beds, the critical stress used in transport models represents a spatial averaging of the critical entrainment stresses of many individual particles on the bed. We perform a series of flume experiments in which we quantify, for the first time, the evolution of topography on the particle scale during low‐flow periods. We link this topography to subsequent bed load sediment transport rates and explore implications for particle critical stresses. We exploit the observed dependence of bed load flux on antecedent low‐flow duration to isolate the relationship between grain protrusion and bed load flux over a wide array of transport rates at the same applied stress. A synthesis of high‐resolution bed topography surveys and bed load flux data show that bed load transport rates characteristic of gravel channels are governed by the portion of grains that protrude highest above the bed and that this portion corresponds to ~1–5% of the total bed elevation distribution in our experiments. This result supports the argument that only a small portion of grain entrainment thresholds for a riverbed is exceeded during transport. Further, these results emphasize that subtle changes in bed topography can have dramatic effects on bed load sediment transport. We also find that transport of these highest protruding particles enhances the local erosion of surrounding grains.
Pd‐Catalyzed C−H Arylation of Benzothiazoles with Diaryliodonium Salt: One‐Pot Synthesis of 2‐Arylbenzothiazoles
Authors: Yang Peng , Wang Rui , Wu Hui , Du Zhengyin , Fu Ying
Published: December 2016

A simple and direct arylation of benzothiazoles in the presence of diaryliodonium salts to afford 2‐arylbenzothiazoles has been developed. This cross‐coupling reaction is catalyzed by palladium bromide in the presence of cesium carbonate and a phosphorus ligand. The protocol has a broad substrate scope and is tolerant towards a wide range of functional groups to give the desired products in moderate to high yields.
Solvent‐Controlled Enzyme‐Catalyzed Friedel–Crafts Reactions of Indoles and Isatins by Using α‐Chymotrypsin
Authors: Xue Jing‐Wen , Guo Jun‐Tao , He Yan‐Hong , Guan Zhi
Published: December 2016

Friedel–Crafts reactions between isatins and indoles catalyzed by α‐chymotrypsin from bovine pancreas (BPC) are described. The reaction could be controlled by judicious choice of the solvent. 3‐Hydroxy‐oxindoles and 3,3‐bis(indol‐3‐yl)indolin‐2‐ones were obtained in aprotic (DCE) and protic solvent (MeOH), respectively; the reactions proceeded at 30 °C with a broad substrate scope in each case. Several pharmacologically active products were obtained in protic solvent. This method has the potential to become a simple, practical procedure for the synthesis of 3‐hydroxy‐oxindole and 3,3‐bis(indol‐3‐yl)indolin‐2‐one derivatives.
A Systematic Assessment of Trifluoromethyl Radical Donor Abilities of Electrophilic Trifluoromethylating Reagents
Authors: Li Man , Wang Ya , Xue Xiao‐Song , Cheng Jin‐Pei
Published: December 2016

Identifying the ability of traditional electrophilic trifluoromethylating reagents as CF3· radical sources offers a great opportunity for developing new radical trifluoromethylation reactions. Herein, we report the first extensive assessment of the propensity of these reagents to donate a CF3· radical by computing X−CF3 bond homolytic dissociation enthalpies. Single electron reduction has a substantial effect on activating the X−CF3 bond, thereby significantly facilitating a CF3 radical release. The quantitative information provided here could be valuable for mechanistic understanding and the rational design of new radical trifluoromethylation reactions.
Ten years of orangutan‐related wildlife crime investigation in West Kalimantan, Indonesia
Authors: Freund Cathryn , Rahman Edi , Knott Cheryl
Published: December 2016

Poaching for the pet trade is considered one of the main threats to orangutan survival, especially to the Bornean species (Pongo pygmaeus). However, there have been few attempts to quantify the number of individuals taken from the wild or to evaluate the drivers of the trade. Most orangutan poaching is thought to be opportunistic in nature, occurring in conjunction with deforestation for large‐scale agriculture. Using data from our long‐term wildlife crime field investigation program collected from 2004 to 2014, we evaluated the prevalence of orangutan poaching and its spatial distribution in and around Gunung Palung National Park, in the regencies (districts) of Ketapang and Kayong Utara, West Kalimantan, Indonesia. Over the project period, investigators uncovered 145 cases of orangutans being illegally held captive for the pet trade. There was a significant correlation between the extent of oil palm and the number of cases reported from each sub‐district in the landscape, supporting the widely held hypothesis that orangutan poaching is opportunistic, and we found no evidence of orangutan trading rings (i.e., international traders) targeting Gunung Palung National Park. Over the past decade, there only has been one prosecution of orangutan trading in West Kalimantan, and weak law enforcement by Indonesian authorities remains the most significant challenge in addressing wildlife trade. We offer four recommendations to address this, including that Indonesia dedicate at least $3 million more to addressing orangutan poaching and trade in Kalimantan and that the country's wildlife protection laws be revised and strengthened, with the new laws socialized to a wide audience, including government officials and all aspects of civil society. As oil palm begins to expand into Africa, this study also may help predict how this will affect gorillas, chimpanzees, and bonobos, encouraging proactive conservation action.
Dephasing enhanced spin transport in the ergodic phase of a many‐body localizable system
Authors: Žnidarič Marko , Mendoza‐Arenas Juan Jose , Clark Stephen R. , Goold John
Published: December 2016

We study high temperature spin transport in a disordered Heisenberg chain in the ergodic regime when bulk dephasing is present. We find that while dephasing always renders the transport diffusive, there is nonetheless a remnant of the diffusive to sub‐diffusive transition found in a system without dephasing manifested in the behaviour of the diffusion constant with the dephasing strength. By studying finite‐size effects we show numerically and theoretically that this feature is caused by the competition between large crossover length scales associated to disorder and dephasing that control the dynamics observed in the thermodynamic limit. We demonstrate that this competition may lead to a dephasing enhanced transport in this model.

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A Shifted Double‐Diamond Titania Scaffold
Authors: Li Hong , Liu Ye , Cao Xin , Han Lu , Jiang Chun , Che Shunai
Published: December 2016

Photonic crystals are expected to be metamaterials because of their potential to control the propagation of light in the linear and nonlinear regimes. Biological single‐network, triply periodic constant mean curvature surface structures are considered excellent candidates owing to their large complete band gap. However, the chemical construction of these relevant structures is rare and developing new structures from thermodynamically stable double‐network self‐organizing systems is challenging. Herein, we reveal that the shifted double‐diamond titania scaffold can achieve a complete band gap. The largest (7.71 %) band gap is theoretically obtained by shifting 0.332 c with the dielectric contrast of titania (6.25). A titania scaffold with similar shifted double‐diamond structure was fabricated using a reverse core–shell microphase‐templating system with an amphiphilic diblock copolymer and a titania source in a mixture of tetrahydrofuran and water, which could result in a 2.05–3.78 % gap.
Multi‐attribute uncertainty analysis of the life cycle of lignocellulosic feedstock for biofuel production
Authors: Rajagopalan Neethi , Venditti Richard , Kelley Steve , Daystar Jesse
Published: December 2016

Life cycle assessments (LCAs) have become a common tool for measuring the environmental performance of various products and processes. This study reviewed the life cycle of lignocellulosic biomass feedstock‐based (pine, eucalyptus, and switchgrass) ethanol biofuels and compared the results to gasoline. Uncertainty analysis of the cradle‐to‐wheel results was conducted using a pedigree matrix method to address uncertainty of life cycle inventory items. A tool called stochastic multi‐attribute analysis for life cycle impact assessment (SMAA‐LCIA) was used to interpret the results generated from the LCA. The normalized results showed that gasoline had high environmental impacts in categories such as carcinogenics and global warming, followed by switchgrass. But the use of a single‐score metric indicated that all bio‐based feedstocks had similar environmental performance, all significantly better than gasoline. The SMAA‐LCIA results showed that when all impacts were weighted equally, the preference from highest to lowest was for loblolly pine, eucalyptus, gasoline, and switchgrass. This rank order switched when differing weighting schemes of Producer, User, and LCA Expert were used. Overall, this method highlights the trade‐offs associated with the selection of different feedstocks and improves the comparison of overall results amongst fuel sources, which can then be more clearly presented to a decision‐maker. © 2016 Society of Chemical Industry and John Wiley & Sons, Ltd
Assoziationen von Politik und Natur. Kubanische Korallen in Ost‐Berlin, 1964–1974
Authors: Bauche Manuela
Published: December 2016

Associations of Politics and Nature: Cuban Corals in East‐Berlin, 1964–1974. The concept of association is centre stage in ecological studies on coral reefs. It describes the specific composition of diverse coral species in a given reef section that depends, among other factors, on the type of surf and the form of the seabed. ‘Association’ is also an important concept in Bruno Latour's plea for transcending the division between humans and objects in sociological analysis. Drawing on the idea of association, the article explores the history of the corals that were moved from the northern Cuban coast to East‐Berlin in the late 1960s and worked into a coral reef diorama exhibited in East Berlin's Natural History Museum in 1974. By focusing on the mobilisation of the corals between Cuba and the GDR as well as within the museum, I will show that far from being sharply defined objects of nature, the corals collected in Cuba and displayed in East‐Berlin must be understood as parts of constantly changing heterogeneous associations of organisms, non‐organic material, national politics, postcolonial economies and institutional politics.
Wechselnde Formate. Zur rezenten Geschichte der Sprachaufnahmen des Berliner Lautarchivs – ein Bericht
Authors: Hennig Jochen
Published: December 2016

Changing Modes: The Recent History of the Voice Recordings in the Berlin Sound Archive. The Sound Archive (Lautarchiv) of the Humboldt‐Universität zu Berlin is a collection of language and voice recordings dating back to recording activities in prisoner of war camps during World War I. Since 1990 the recordings have been included in and used for various scientific and cultural modes of research and presentation. This article illustrates the ways in which the collection in both its entirety as well as in its individual objects have been transformed and relocated, thus changing their meanings within these different contexts. Particularly their inclusions into these very different structural and cultural modes have not only opened up new dimensions and opportunities, but at the same time also have shown specific limitations and determinations. The Sound Archive appears to thus be an example of an academic collection at the interfaces of both cultural and scientific activity in a constant process of transformation.
Tutanchamun fotografieren – Zur Produktion eines Ausstellungsstars
Authors: Schulze Mario
Published: December 2016

To Shoot Photographs of Tutankhamun – The Making of an Exhibition Star. In the 1970s, the exhibition “Treasures of Tutankhamun” toured the world. It still ranks today amongst the most popular museum exhibitions of all time. This article explores photography used in the catalogue of this blockbuster exhibition in the USA and West Germany; it describes how the pictures of Tutankhamun's objects, which were made by a team from the Metropolitan Museum in New York, introduced a significantly new and different approach to catalogue photography. Until the 1960s, Ancient Egyptian artefacts had been documented by means of bare frontal or profile images in black and white; their close‐grained, accurately shaded quality allowed the objects to be investigated independently of the viewer's location. The high gloss colour images of the 1970s, however, instead sought to lend the objects something a photograph could not normally achieve: a palpable presence. They captured sensational traces, creating star items that one “just had to see for oneself”. In other words, the article presents how catalogue photos were able to participate in the creation of star objects and therefore also contributed to the exhibition's enormous success. The historical background behind the rise of this sensational photography in the 1960s and 1970s will be discussed and framed theoretically. In showing how photography played an important role in transforming the objects taken from Tutankhamen's tomb, it argues that mobilising museum objects through media can induce (semiotic and material) transformations of objects.
Residue analysis and risk assessment of tebuconazole in jujube (Ziziphus jujuba Mill)
Authors: You Xiangwei , Li Yiqiang , Wang Xiuguo , Xu Jinli , Zheng Xiao , Sui Chengcheng
Published: December 2016

In this study, a sensitive and reliable analytical method, based on a modified Quick, Easy, Cheap, Effective, Rugged and Safe procedure, was established for determination of tebuconazole in jujube. After extraction with acetonitrile, the samples were cleaned up by dispersive solid‐phase extraction with primary secondary amine, and determined by high‐performance liquid chromatography tandem mass spectrometry. At fortification levels of 0.01, 0.1 and 2.0 mg kg−1, the average recoveries of tebuconazole in jujube were in the range 97.6–101.9%, with relative standard deviations of 1.5–3.5%. The dissipation and residual levels of tebuconazole in jujube under field conditions were investigated. Tebuconazole dissipated relatively slowly in jujube, with a half‐life of 33.0 days. The terminal residue experiments of tebuconazole in jujube were conducted in four locations in China and the risk was evaluated using risk quotients (RQ). RQ values were found to be significantly lower than RQ = 1, indicating that the risk to human health of using the recommended doses of tebuconazole in jujube was not significant. This study could provide guidance for the safe and reasonable use of tebuconazole in jujube and serve as a reference for the establishment of limit of maximum residue in China.
Novel fluid detail enhancement based on multi‐layer depth regression analysis and FLIP fluid simulation
Authors: Qiu Yuxing , Yang Lipeng , Li Shuai , Xia Qing , Qin Hong , Hao Aimin
Published: December 2016

In this paper, we propose a novel integrated method for effective modeling and realistic enhancement of scale‐sensitive fluid simulation details. The core of our method is the organic of multi‐layer depth image regression analysis and fluid implicit particle fluid simulation of which the regression analysis induces the criterion where the fluid details should be produced. First, we capture the depth buffer of the fluid surface dynamically from the top of scene. Second, we employ depth peeling technique to decompose the target fluid volume into multiple depth layers and conduct time‐space analysis over surface layers. Third, we propose a logistic regression‐based model to rigorously pinpoint the complex interacting regions, wherein multiple detail‐relevant factors are taken into account based on the captured multiple depth layers. Finally, details are enhanced by animating extra diffuse materials and augmenting the air‐fluid mixing phenomenon. It is evident that, with depth peeling technology, we can afford rigorous analysis not only across surface layers at different fluid depth but along the depth direction as well. After integrating the analysis results from these two sources, we are capable of performing detail enhancement both on the fluid surface and inside the fluid to obtain a great visual effect, even when large occlusion exists. Directly benefiting from the flexibility of image‐space‐dominant processing, our unified framework can be entirely implemented on graphics processing units and thus achieves interactive performance. For various fluid phenomena with different diffuse materials (e.g., spray, foam, and bubble), comprehensive experiments and evaluations have demonstrated its superiority in high‐fidelity fluid detail enhancement and its interaction with surrounding environment.
Heterogeneous Chitosan@Copper(II)‐Catalyzed Remote Trifluoromethylation of Aminoquinolines with the Langlois Reagent by Radical Cross‐Coupling
Authors: Shen Chao , Xu Jun , Ying Beibei , Zhang Pengfei
Published: December 2016

The front cover artwork for Issue 23/2016 is provided by Dr. Shen and Prof. Zhang's group from Zhejiang Shuren University and Hangzhou Normal University. The image illustrates the first example of an heterogeneous catalyst Chitosan@Cu(OAc)2‐catalyzed remote trifluoromethylation of aminoquinolines at C5 position under mild conditions. See the Communication itself at https://doi.org/10.1002/cctc.201601068.
Signal‐On Photoelectrochemical Aptasensor Amplified by Exciton Energy Transfer and Exonuclease‐Aided Target Recycling
Authors: Chen Jingjia , Fan Gao‐Chao , Shi Xiao‐Mei , Zhu Jun‐Jie
Published: December 2016

An enhanced photoelectrochemical (PEC) aptasensor was developed by coupling exciton energy transfer (EET) with exonuclease aided target recycling. Thrombin was selected as the target analyte. CdS quantum dots (QDs) as energy donors were first modified on the TiO2 film to form a TiO2/CdS heterostructure, and then complementary DNA (cDNA) of the thrombin aptamer probe (pDNA) was immobilized. Au nanoparticles (AuNPs) as energy acceptors were labeled at the 3′ end of pDNA to form AuNP‐pDNA composites. After pDNA hybridized with cDNA, the EET occurred and the photocurrent reduced evidently. When the mixture of thrombin and RecJ exonuclease was introduced, pDNA specifically bound with thrombin, leading to the separation of AuNP‐pDNA composites from the electrode. As RecJ exonuclease could cleave single‐strand pDNA from 5′–3′, the captured thrombin was set free and it recurrently binds with the rest of pDNA. As a result, the EET was broken, to a large extent, and the photocurrent clearly picked up. This signal‐on PEC aptasensor shows a low detection limit and good selectivity for target analysis.
8‐Oxo‐7,8‐dihydroadenine and 8‐Oxo‐7,8‐dihydroadenosine—Chemistry, Structure, and Function in RNA and Their Presence in Natural Products and Potential Drug Derivatives
Authors: Choi Yu Jung , Chang Stephanie J. , Gibala Krzysztof S. , Resendiz Marino J. E.
Published: December 2016

A description and history of the role that 8‐oxo‐7,8‐dihydroadenine (8‐oxoAde) and 8‐oxo‐7,8‐dihydroadenosine (8‐oxoA) have in various fields has been compiled. This Review focusses on 1) the formation of this oxidatively generated modification in RNA, its interactions with other biopolymers, and its potential role in the development/progression of disease; 2) the independent synthesis and incorporation of this modified nucleoside into oligonucleotides of RNA to display the progress that has been made in establishing its behavior in biologically relevant systems; 3) reported synthetic routes, which date back to 1890, along with the progress that has been made in the total synthesis of the nucleobase, nucleoside, and their corresponding derivatives; and 4) the isolation, total synthesis, and biological activity of natural products containing these moieties as the backbone. The current state of research regarding this oxidatively generated lesion as well as its importance in the context of RNA, natural products, and potential as drug derivatives is illustrated using all available examples reported to date.
ChemInform Abstract: Colloidal and Micro‐Carbon Spheres Derived from Low‐Temperature Polymerization Reactions
Authors: Moreno‐Castilla Carlos
Published: December 2016

Review: 188 refs.
Correlation of Reduced Interlayer Charge Transfer with Antiphase Boundary Formation in BixSn1–xSe–NbSe2 Heterostructures
Authors: Mitchson Gavin , Bauers Sage R. , Schädlich Philip , Ditto Jeffrey J. , Johnson David C.
Published: December 2016

Heterostructures of alloyed BixSn1–xSe layers, 0 ≤ x ≤ 1.0, interleaved with NbSe2 monolayers, were prepared by using the modulated elemental reactants technique to investigate the occurrence of antiphase boundaries as a function of Bi concentration. A Rietveld refinement of the c‐axis structure of the x = 0.50 compound revealed a reduced gap distance between the Bi plane in the BixSn1–xSe layers and the Se plane in the NbSe2 layers and an increased internal Se–Se plane spacing within the BixSn1–xSe layers relative to the end member compounds, suggesting increased interaction between the layers at this composition. High‐angle annular dark‐field scanning transmission electron microscopy (HAADF STEM) images showed no antiphase boundary formation in the BixSn1–xSe layers for x = 0.24, some antiphase boundary formation when x = 0.50, and increased antiphase boundary formation for x = 0.73. Correlated with the absence of antiphase boundary formation for values of x < 0.50 and the increasing presence of antiphase boundaries for x ≥ 0.5, electrical transport measurements showed interlayer charge transfer initially increased with x, then decreased as x was increased to 0.50 and beyond.
High‐Performance Visible‐Light‐Driven Pt/CdS/Graphene Photoelectrocatalysts for Methanol Oxidation
Authors: Zhai Chunyang , Hu Jiayue , Sun Mingjuan , Zhu Mingshan
Published: December 2016

Fuel cells, as a technology for the conversion of chemical energy into electrical energy, have been recognized as a promising sustainable power source. Traditional electrocatalysts, together with optically active semiconductors, have been selected as promising catalysts for the improvement of anodic reactions. Herein, cadmium sulfide (CdS) nanoclusters decorated on reduced graphene oxide (RGO) nanosheets were obtained by using a one‐pot solvothermal method and then applied as photoactivated supports for the deposition of Pt nanoparticles. The ternary‐composite‐modified electrode displayed much higher catalytic properties for methanol oxidation than a binary Pt/CdS electrode. Interestingly, when the as‐prepared Pt/CdS/RGO electrode was irradiated with visible light, both the catalytic activity and the stability were improved greatly. The synergistic effect of RGO nanosheets and photoirradiation promoted electrocatalytic performance and stability. Our results provide new insight into the development of highly efficient photoelectrocatalysts for applications in direct methanol fuel cells in the presence of visible‐light illumination.
Sorption and desorption of 17α-trenbolone and trendione on five soils
Authors: Robinson Joseph A. , Ma Qingli , Staveley Jane P. , Smolenski Walter J.
Published: December 2016

The metabolites 17α-trenbolone and 17α-estradiol are principal metabolites in cattle excreta following the administration of Synovex® ONE, which contains trenbolone acetate and estradiol benzoate. As part of the environmental assessment of the use of Synovex ONE, data were generated to characterize the fate of 17α-trenbolone, and its metabolite trendione in the environment. Predictions of the fate and environmental concentrations of these hormones after land application require accurate estimates of the sorption of these compounds in soils. The sorption and desorption of 17α-trenbolone and trendione were measured at 5 nominal concentrations in 5 soils from different geologic settings using a batch equilibrium technique following guideline 106 of the Organisation for Economic Co-operation and Development. Both the sorption and desorption of 17α-trenbolone and trendione to soils were adequately described by the Freundlich sorption model and by linear partition coefficients. The mean sorption coefficients were 9.04 mL/g and 32.2 mL/g for 17α-trenbolone and trendione, respectively. The corresponding mean Freundlich sorption exponents were 0.88 and 0.98, respectively. Sorption of 17α-trenbolone and trendione was correlated principally with soil organic carbon. Average sorption coefficients normalized to soil organic carbon content (KOC) were 460 mL/g and 1804 mL/g for 17α-trenbolone and trendione, respectively. The mean desorption coefficients were 22.1 mL/g and 43.8 mL/g for 17α-trenbolone and trendione, respectively. Calculated hysteresis coefficients based on the difference in the area between sorption and desorption isotherms indicated that sorption equilibrium was not fully reversible and hysteresis of desorption isotherms occurred for both 17α-trenbolone and trendione. Environ Toxicol Chem 2017;36:613–620. © 2016 SETAC
Experimental performance assessment of a mono‐ethanolamine‐based post‐combustion CO2‐capture at a coal‐fired power station in China
Authors: Feron Paul H.M. , Cousins Ashleigh , Gao Shiwang , Liu Lianbo , Wang Jinyi , Wang Shiqing , Niu Hongwei , Yu Hai , Li Kangkang , Cottrell Aaron
Published: December 2016

The performance of a mono‐ethanolamine‐based post‐combustion CO2 capture plant was assessed experimentally using a dedicated pilot plant located at a coal‐fired power station in China. The 1000‐h pilot campaign enabled the assessment of the flue gas pre‐treatment process, the conduct of a parametric study for optimization of the thermal energy requirement, determination of degradation products in the absorption liquid, and measurement of main process emissions. These results are compared with results in reports on other pilot plant operations based on mono‐ethanolamine. © 2016 Society of Chemical Industry and John Wiley & Sons, Ltd.
The Schur algorithm for an indefinite Stieltjes moment problem
Authors: Derkach Volodymyr , Kovalyov Ivan
Published: December 2016

The nondegenerate truncated indefinite Stieltjes moment problem in the class of generalized Stieltjes functions is considered. To describe the set of solutions of this problem we apply the Schur step‐by‐step algorithm, which leads to the expansion of these solutions in generalized Stieltjes continuous fractions studied recently in [11]. Explicit formula for the resolvent matrix in terms of generalized Stieltjes polynomials is found.
Ascorbic acid drives the differentiation of mesoderm‐derived embryonic stem cells. Involvement of p38 MAPK/CREB and SVCT2 transporter
Authors: Rahman Fryad , Bordignon Benoit , Culerrier Raphael , Peiretti Franck , Spicuglia Salvatore , Djabali Malek , Landrier Jean François , Fontes Michel
Published: December 2016

Scope

Here we tested the hypothesis that ascorbic acid (AA) is a signaling molecule acting on stem cells via the differentiation of mesoderm derivatives, including myocytes, osteocytes, and adipocytes.

Material and methods

Investigations used a murine embryonic stem cell line CGR8 able to differentiate into different cell types and treated or not with ascorbic acid. Differentiation was tracked mainly through cellular anatomy (including presence of beating cardiomyocytes) and expression of specific markers.

Conclusion

The study demonstrated that AA drives mesoderm‐derived stem cell differentiation toward myogenesis and osteogenesis and also inhibits adipogenesis. Further experiments found that AA competes with retinoic acid (RA) to drive cell differentiation in a dose‐dependent manner: AA inhibited neurogenic differentiation and stimulated myogenesis whereas RA did the reverse. The AA‐dependent differentiation of embryonic stem cells was shown to involve a p38 MAPK/CREB pathway, probably stimulated by cAMP via adenylate cyclases. In addition, SVCT2, the intracellular transporter of AA, acted as a receptor. Finally, we showed that activation/repression of specific differentiation markers is associated with epigenetic changes in their associated promoters. We discuss the impact of these findings in terms of obesity and aging.
Adsorption behavior of B‐doped/N‐doped graphene sheets toward NO2, NO and NH3 molecules: A first‐principles study
Authors: Wang Yin , Chen Jinghua , Huang Xintang
Published: December 2016

Based on the first‐principles of density‐functional theory (DFT), the effects of NO2, NO, and NH3 adsorption on the change in geometric stability, adsorption properties, and electronic structures of B‐ or N‐doped graphene are investigated. For NO/NO2‐B/N‐doped graphene systems, NO/NO2 have more stability on B‐doped graphenes than them on N‐doped graphenes. The introduction of B atom can make the adsorption of NO/NO2 on graphene much easier. The stable configuration of B‐doped graphene is more likely to be gas sensor for detecting toxic gases such as NO2 and NO. This makes it possible to use B‐doped graphene as sensing materials for designing novel gas sensors. The interaction between NH3 and B/N‐doped graphene is rather weak. The results will provide a new direction for the adsorbed NO2, NO, and NH3 on graphene by introducing B/N doping atoms into graphene.
Enhancement of Ferromagnetism in Nonmagnetic Metal Oxide Nanoparticles by Facet Engineering
Authors: Long Liyuan , Xiong Shijie , Meng Ming , Liu Lizhe , Zhang Jinlei , Wu Xinglong , Chu Paul K.
Published: December 2016

Ferromagnetism in semiconducting metal oxide nanoparticles has been intensively investigated due to their potential applications in spintronics, information storage, and biomedicine. Ferromagnetism can be produced in nonmagnetic metal oxide nanoparticles by a variety of methods or factors, but the saturated magnetization is typically of the order of 10−4 emu g−1 and too small to be useful in practice. In this work, it is demonstrated theoretically and experimentally that stronger ferromagnetism can be achieved in undoped nonmagnetic metal oxide semiconductors by exposing some specific polar crystal facets with carvings of special bonds via the interaction with underlying vacancies. In2O3 microcubes with completely enclosed {001} polar facets show two orders of magnitude enhancement at room temperature compared to nanoparticles with an irregular morphology. The surface magnetic domains on the {001} facets account for the significantly enhanced ferromagnetism. The technique and concept described here can be extended to other types of metal oxide nanostructures to spur their application to spintronics.
Poverty and suicide research in low- and middle-income countries: systematic mapping of literature published in English and a proposed research agenda
Authors: Bantjes J. , Iemmi V. , Coast E. , Channer K. , Leone T. , McDaid D. , Palfreyman A. , Stephens B. , Lund C.
Published: December 2016

Approximately 75% of suicides occur in low- and middle-income countries (LMICs) where rates of poverty are high. Evidence suggests a relationship between economic variables and suicidal behaviour. To plan effective suicide prevention interventions in LMICs we need to understand the relationship between poverty and suicidal behaviour and how contextual factors may mediate this relationship. We conducted a systematic mapping of the English literature on poverty and suicidal behaviour in LMICs, to provide an overview of what is known about this topic, highlight gaps in literature, and consider the implications of current knowledge for research and policy. Eleven databases were searched using a combination of key words for suicidal ideation and behaviours, poverty and LMICs to identify articles published in English between January 2004 and April 2014. Narrative analysis was performed for the 84 studies meeting inclusion criteria. Most English studies in this area come from South Asia and Middle, East and North Africa, with a relative dearth of studies from countries in Sub-Saharan Africa. Most of the available evidence comes from upper middle-income countries; only 6% of studies come from low-income countries. Most studies focused on poverty measures such as unemployment and economic status, while neglecting dimensions such as debt, relative and absolute poverty, and support from welfare systems. Most studies are conducted within a risk-factor paradigm and employ descriptive statistics thus providing little insight into the nature of the relationship. More robust evidence is needed in this area, with theory-driven studies focussing on a wider range of poverty dimensions, and employing more sophisticated statistical methods.
Phantom Prescribing: Examining the Frequency of Antimicrobial Prescriptions Without a Patient Visit
Authors: Riedle Benjamin N. , Polgreen Linnea A. , Cavanaugh Joseph E. , Schroeder Mary C. , Polgreen Philip M.
Published: December 2016

OBJECTIVE

To investigate the scale of antimicrobial prescribing without a corresponding visit, and to compare the attributes of patients who received antimicrobials with a corresponding visit with those who did not have a visit.

DESIGN

Retrospective cohort.

METHODS

We followed up 185,010 Medicare patients for 1 year after an acute myocardial infarction. For each antimicrobial prescribed, we determined whether the patient had an inpatient, outpatient, or provider claim in the 7 days prior to the antimicrobial prescription being filled. We compared the proportions of patient characteristics for those prescriptions associated with a visit and without a visit (ie, phantom prescriptions). We also compared the rates at which different antimicrobials were prescribed without a visit.

RESULTS

We found that of 356,545 antimicrobial prescriptions, 14.75% had no evidence of a visit in the week prior to the prescription being filled. A higher percentage of patients without a visit were identified as white (P<.001) and female (P<.001). Patients without a visit had a higher likelihood of survival and fewer additional cardiac events (acute myocardial infarction, cardiac arrest, stroke, all P<.001). Among the antimicrobials considered, amoxicillin, penicillin, and agents containing trimethoprim and methenamine were much more likely to be prescribed without a visit. In contrast, levofloxacin, metronidazole, moxifloxacin, vancomycin, and cefdinir were much less likely to be prescribed without a visit.

CONCLUSIONS

Among this cohort of patients with chronic conditions, phantom prescriptions of antimicrobials are relatively common and occurred more frequently among those patients who were relatively healthy.

Infect Control Hosp Epidemiol 2017;38:273–280
Coherent structure colouring: identification of coherent structures from sparse data using graph theory
Authors: Schlueter-Kuck Kristy L. , Dabiri John O.
Published: December 2016

We present a frame-invariant method for detecting coherent structures from Lagrangian flow trajectories that can be sparse in number, as is the case in many fluid mechanics applications of practical interest. The method, based on principles used in graph colouring and spectral graph drawing algorithms, examines a measure of the kinematic dissimilarity of all pairs of fluid trajectories, measured either experimentally, e.g. using particle tracking velocimetry, or numerically, by advecting fluid particles in the Eulerian velocity field. Coherence is assigned to groups of particles whose kinematics remain similar throughout the time interval for which trajectory data are available, regardless of their physical proximity to one another. Through the use of several analytical and experimental validation cases, this algorithm is shown to robustly detect coherent structures using significantly less flow data than are required by existing spectral graph theory methods.