bluuebunny/crossref_metadata_2025 huggingface dataset:
David Dabydeen’s Hogarth: Blacks, Jews, and Postcolonial Ekphrasis
Authors: Casteel Sarah Phillips
Published: December 2015

Eighteenth-century satirical artist William Hogarth figures centrally in Guyanese writer David Dabydeen’s ekphrastic postcolonial fiction. In particular, Dabydeen’s novelsA Harlot’s ProgressandJohnson’s Dictionaryinvoke plate 2 of Hogarth’s 1732 seriesA Harlot’s Progress, which depicts the encounter of a cuckolded Jewish merchant, his mistress, and a turbaned slave boy.

In this article, I argue that Dabydeen’s strategy of introducing visual intertexts into his fiction encourages a comparative reading of the representational regimes that historically have shaped popular perceptions of blacks and Jews. Situating Dabydeen’s Hogarth novels as part of a larger tradition in postwar Caribbean writing of advancing an identificatory reading of Jewishness, I examine how Dabydeen’s novels illustrate the need to broaden discussions of the relationship between postcolonial and Jewish studies beyond the question of Holocaust memory.
Public Policies toward Aboriginal Peoples: Attitudinal Obstacles and Uphill Battles
Authors: White Stephen , Atkinson Michael M. , Berdahl Loleen , McGrane David
Published: December 2015

This paper examines public attitudes towards aboriginal policy in Canada, focusing on evidence from two surveys conducted in Saskatchewan, a province with a large and growing Aboriginal population. We show that although non-Aboriginals are collectively divided on Aboriginal public policies, expressing considerable support for some, but strong reservations when it comes to others; the individual-level evidence indicates that there is a single Aboriginal policy agenda in the minds of non-Aboriginal Canadians. Support for, and opposition to, the privileging of Aboriginal claims is structured in part by prejudice toward outgroups but also by non-Aboriginal people's more general position on the role of government in society. Moreover, the impact of positions about the role of government in society on attitudes toward Aboriginal policies is moderated by people's level of political sophistication: the more educated and politically interested they are, the greater the impact of those ideological views.
Rational Values of Weierstrass Zeta Functions
Authors: Jones G. O. , Thomas M. E. M.
Published: December 2015

We answer a question of Masser by showing that for the Weierstrass zeta function ζ corresponding to a given lattice Λ, the density of algebraic points of absolute multiplicative height bounded byTand degree bounded byklying on the graph of ζ, restricted to an appropriate domain, does not exceedc(logT)15for an effective constant c > 0 depending onkand on Λ. Using different methods, we also give two bounds of the same form for the density of algebraic points of bounded height in a fixed number field lying on the graph of ζ restricted to an appropriate subset of (0, 1). In one case the constant c can be shown not to depend on the choice of lattice; in the other, the exponent can be improved to 12.
Comparing the performance of 11 crop simulation models in predicting yield response to nitrogen fertilization
Authors: SALO T. J. , PALOSUO T. , KERSEBAUM K. C. , NENDEL C. , ANGULO C. , EWERT F. , BINDI M. , CALANCA P. , KLEIN T. , MORIONDO M. , FERRISE R. , OLESEN J. E. , PATIL R. H. , RUGET F. , TAKÁČ J. , HLAVINKA P. , TRNKA M. , RÖTTER R. P.
Published: December 2015

Eleven widely used crop simulation models (APSIM, CERES, CROPSYST, COUP, DAISY, EPIC, FASSET, HERMES, MONICA, STICS and WOFOST) were tested using spring barley (Hordeum vulgare L.) data set under varying nitrogen (N) fertilizer rates from three experimental years in the boreal climate of Jokioinen, Finland. This is the largest standardized crop model inter-comparison under different levels of N supply to date. The models were calibrated using data from 2002 and 2008, of which 2008 included six N rates ranging from 0 to 150 kg N/ha. Calibration data consisted of weather, soil, phenology, leaf area index (LAI) and yield observations. The models were then tested against new data for 2009 and their performance was assessed and compared with both the two calibration years and the test year. For the calibration period, root mean square error between measurements and simulated grain dry matter yields ranged from 170 to 870 kg/ha. During the test year 2009, most models failed to accurately reproduce the observed low yield without N fertilizer as well as the steep yield response to N applications. The multi-model predictions were closer to observations than most single-model predictions, but multi-model mean could not correct systematic errors in model simulations. Variation in soil N mineralization and LAI development due to differences in weather not captured by the models most likely was the main reason for their unsatisfactory performance. This suggests the need for model improvement in soil N mineralization as a function of soil temperature and moisture. Furthermore, specific weather event impacts such as low temperatures after emergence in 2009, tending to enhance tillering, and a high precipitation event just before harvest in 2008, causing possible yield penalties, were not captured by any of the models compared in the current study.
Recovery of rocky intertidal zonation: two years after the 2011 Great East Japan Earthquake
Authors: Noda Takashi , Iwasaki Aiko , Fukaya Keiichi
Published: December 2015

To assess the course and status of recovery of rocky intertidal zonation after massive subsidence caused by the 2011 Great East Japan Earthquake, from 2011 to 2013 we censused the vertical distribution of 10 dominant macrobenthic species (six sessile and four mobile species) in the mid-shore zone of 23 sites along the Sanriku coastline, 150–160 km north-northwest of the earthquake epicentre, and compared the vertical distributions of each species with their vertical distributions in the pre-earthquake period. The dynamics of rocky intertidal zonation varied substantially among species. Among sessile species, one barnacle dramatically increased in abundance and expanded its vertical range in 2011, but then decreased and completely disappeared from all plots by 2013. Zonations of other sessile species shifted downward following the subsidence in 2011. With some species, there was no clear change in abundance immediately after the earthquake, but they then began to increase and move upward after a few years; with other species, abundance continuously decreased. There was no clear change in the vertical distribution of any of the mobile species immediately after the earthquake. Abundance of two mobile species was unchanged, but abundance of the others decreased from 2012 and had not recovered as of 2013.
Oxidative stress indicators in populations of the gastropodBuccinanops globulosusaffected by imposex
Authors: Primost M. A. , Sabatini S. E. , Di Salvatore P. , Ríos De Molina M. C. , Bigatti G.
Published: December 2015

The gastropodBuccinanops globulosusis commonly used as a bioindicator of tributyltin (TBT) contamination due to its high imposex incidence in maritime traffic areas. The aim of this study was to evaluate both oxidative stress inB. globulosusat three sites with different maritime activity, and imposex incidence in Nuevo Gulf, Argentina. Oxidative stress parameters in digestive glands, like superoxide dismutase (SOD) and glutathione-S-transferase (GST) activities, reduced glutathione levels (GSH), and oxidative damage to lipids, estimated as thiobarbituric acid reactive substances (TBARs) as well as imposex parameters (% imposex and female penis length (FPL)) were measured in females. Gastropods from the harbour area showed 100% imposex, the highest FPL and TBARs content, as well as GSH levels and SOD activity.

The different oxidative stress responses and high imposex incidence at the harbour site may indicate a negative effect on the organism's physiological state due to environmental pollution.
IDENTIFYING RESTRICTIONS FOR FINITE PARAMETER CONTINUOUS TIME MODELS WITH DISCRETE TIME DATA
Authors: Blevins Jason R.
Published: December 2015

This paper revisits the question of parameter identification when a linear continuous time model is sampled only at equispaced points in time. Following the framework and assumptions of Phillips (1973), we consider models characterized by first-order, linear systems of stochastic differential equations and use a priori restrictions on the model parameters as identifying restrictions. A practical rank condition is derived to test whether any particular collection of at least $\left\lfloor {n/2} \right\rfloor$ general linear restrictions on the parameter matrix is sufficient for identification. We then consider extensions to incorporate prior restrictions on the covariance matrix of the disturbances, to identify the covariance matrix itself, and to address identification in models with cointegration.
Development of the Mini-BCIBS
Authors: Hiskey Syd , Javenbakht Fahime , Troop Nicholas A.
Published: December 2015

Abstract. We describe the development of a brief version of the Bi-Directional Changes in Being Scale (BCIBS; Hiskey, Troop, & Joseph, 2006 ), a measure of phenomenological change following stressful and traumatic life events. The psychometric properties of the mini-BCIBS were explored using data drawn from a sample of female students, survivors of a discotheque fire, and a large-scale Internet survey. Results suggest the new measure retains the breadth of experiences captured by its predecessor and is psychometrically equivalent. The new tool awaits further development among clinical samples and may help researchers explore the long-term trajectory of posttraumatic growth phenomena.
Haem-activated promiscuous targeting of artemisinin in Plasmodium falciparum
Authors: Wang Jigang , Zhang Chong-Jing , Chia Wan Ni , Loh Cheryl C. Y. , Li Zhengjun , Lee Yew Mun , He Yingke , Yuan Li-Xia , Lim Teck Kwang , Liu Min , Liew Chin Xia , Lee Yan Quan , Zhang Jianbin , Lu Nianci , Lim Chwee Teck , Hua Zi-Chun , Liu Bin , Shen Han-Ming , Tan Kevin S. W. , Lin Qingsong
Published: December 2015

The mechanism of action of artemisinin and its derivatives, the most potent of the anti-malarial drugs, is not completely understood. Here we present an unbiased chemical proteomics analysis to directly explore this mechanism in Plasmodium falciparum. We use an alkyne-tagged artemisinin analogue coupled with biotin to identify 124 artemisinin covalent binding protein targets, many of which are involved in the essential biological processes of the parasite. Such a broad targeting spectrum disrupts the biochemical landscape of the parasite and causes its death. Furthermore, using alkyne-tagged artemisinin coupled with a fluorescent dye to monitor protein binding, we show that haem, rather than free ferrous iron, is predominantly responsible for artemisinin activation. The haem derives primarily from the parasite’s haem biosynthesis pathway at the early ring stage and from haemoglobin digestion at the latter stages. Our results support a unifying model to explain the action and specificity of artemisinin in parasite killing.
Central and rear-edge populations can be equally vulnerable to warming
Authors: Bennett Scott , Wernberg Thomas , Arackal Joy Bijo , de Bettignies Thibaut , Campbell Alexandra H.
Published: December 2015

Rear (warm) edge populations are often considered more susceptible to warming than central (cool) populations because of the warmer ambient temperatures they experience, but this overlooks the potential for local variation in thermal tolerances. Here we provide conceptual models illustrating how sensitivity to warming is affected throughout a species’ geographical range for locally adapted and non-adapted populations. We test these models for a range-contracting seaweed using observations from a marine heatwave and a 12-month experiment, translocating seaweeds among central, present and historic range edge locations. Growth, reproductive development and survivorship display different temperature thresholds among central and rear-edge populations, but share a 2.5 °C anomaly threshold. Range contraction, therefore, reflects variation in local anomalies rather than differences in absolute temperatures. This demonstrates that warming sensitivity can be similar throughout a species geographical range and highlights the importance of incorporating local adaptation and acclimatization into climate change vulnerability assessments.
Identification of PCSK9 as a novel serum biomarker for the prenatal diagnosis of neural tube defects using iTRAQ quantitative proteomics
Authors: An Dong , Wei Xiaowei , Li Hui , Gu Hui , Huang Tianchu , Zhao Guifeng , Liu Bo , Wang Weilin , Chen Lizhu , Ma Wei , Zhang Henan , Cao Songying , Yuan Zhengwei
Published: December 2015

To identify candidate serum molecule biomarkers for the non-invasive early prenatal diagnosis of neural tube defects (NTDs), we employed an iTRAQ-based quantitative proteomic approach to analyze the proteomic changes in serum samples from embryonic day (E) 11 and E13 pregnant rats with spina bifida aperta (SBA) induced by all-trans retinoic acid. Among the 390 proteins identified, 40 proteins at E11 and 26 proteins at E13 displayed significant differential expression in the SBA groups. We confirmed 5 candidate proteins by ELISA. We observed the space-time expression changes of proprotein convertase subtilisin/kexin type 9 (PCSK9) at different stages of fetal development, including a marked decrease in the sera of NTD pregnancies and gradual increase in the sera of normal pregnancies with embryonic development. PCSK9 demonstrated the diagnostic efficacy of potential NTD biomarkers [with an area under the receiver operating characteristic curve of 0.763, 95% CI: 065–0.88]. Additionally, PCSK9 expression in the spinal cords and placentas of SBA rat fetuses was markedly decreased. PCSK9 could serve as a novel molecular biomarker for the non-invasive prenatal screening of NTDs and may be involved in the pathogenesis of NTDs at critical periods of fetal development.
Renal Denervation Findings on Cardiac and Renal Fibrosis in Rats with Isoproterenol Induced Cardiomyopathy
Authors: Liu Qian , Zhang Qi , Wang Kai , Wang Shengchan , Lu Dasheng , Li Zhenzhen , Geng Jie , Fang Ping , Wang Ying , Shan Qijun
Published: December 2015

Cardio-renal fibrosis plays key roles in heart failure and chronic kidney disease. We sought to determine the effects of renal denervation (RDN) on cardiac and renal fibrosis in rats with isoproterenol induced cardiomyopathy. Sixty male Sprague Dawley rats were randomly assigned to Control (n = 10) and isoproterenol (ISO)-induced cardiomyopathy group (n = 50). At week 5, 31 survival ISO-induced cardiomyopathy rats were randomized to RDN (n = 15) and Sham group (n = 16). Compared with Control group, ejection fraction was decreased, diastolic interventricular septal thickness and left atrial dimension were increased in ISO-induced cardiomyopathy group at 5 week. After 10 weeks, cardio-renal pathophysiologic results demonstrated that the collagen volume fraction of left atrio-ventricular and kidney tissues reduced significantly in RDN group compared with Sham group. Moreover the pro-fibrosis factors (TGF-β1, MMP2 and Collagen I), inflammatory cytokines (CRP and TNF-α) and collagen synthesis biomarkers (PICP, PINP and PIIINP) concentration significantly decreased in RDN group. Compared with Sham group, RDN group showed that release of noradrenaline and aldosterone were reduced, angiotensin-converting enzyme (ACE)/angiotensin II (Ang II)/angiotensin II type-1 receptor (AT1R) axis was downregulated. Meanwhile, angiotensin-converting enzyme 2 (ACE2)/angiotensin-1-7 (Ang-(1-7))/mas receptor (Mas-R) axis was upregulated. RDN inhibits cardio-renal fibrogenesis through multiple pathways, including reducing SNS over-activity, rebalancing RAAS axis.
Secreted Factors from Human Vestibular Schwannomas Can Cause Cochlear Damage
Authors: Dilwali Sonam , Landegger Lukas D. , Soares Vitor Y. R. , Deschler Daniel G. , Stankovic Konstantina M.
Published: December 2015

Vestibular schwannomas (VSs) are the most common tumours of the cerebellopontine angle. Ninety-five percent of people with VS present with sensorineural hearing loss (SNHL); the mechanism of this SNHL is currently unknown. To establish the first model to study the role of VS-secreted factors in causing SNHL, murine cochlear explant cultures were treated with human tumour secretions from thirteen different unilateral, sporadic VSs of subjects demonstrating varied degrees of ipsilateral SNHL. The extent of cochlear explant damage due to secretion application roughly correlated with the subjects’ degree of SNHL. Secretions from tumours associated with most substantial SNHL resulted in most significant hair cell loss and neuronal fibre disorganization. Secretions from VSs associated with good hearing or from healthy human nerves led to either no effect or solely fibre disorganization. Our results are the first to demonstrate that secreted factors from VSs can lead to cochlear damage. Further, we identified tumour necrosis factor alpha (TNFα) as an ototoxic molecule and fibroblast growth factor 2 (FGF2) as an otoprotective molecule in VS secretions. Antibody-mediated TNFα neutralization in VS secretions partially prevented hair cell loss due to the secretions. Taken together, we have identified a new mechanism responsible for SNHL due to VSs.
Hierarchy is Detrimental for Human Cooperation
Authors: Cronin Katherine A. , Acheson Daniel J. , Hernández Penélope , Sánchez Angel
Published: December 2015

Studies of animal behavior consistently demonstrate that the social environment impacts cooperation, yet the effect of social dynamics has been largely excluded from studies of human cooperation. Here, we introduce a novel approach inspired by nonhuman primate research to address how social hierarchies impact human cooperation. Participants competed to earn hierarchy positions and then could cooperate with another individual in the hierarchy by investing in a common effort. Cooperation was achieved if the combined investments exceeded a threshold and the higher ranked individual distributed the spoils unless control was contested by the partner. Compared to a condition lacking hierarchy, cooperation declined in the presence of a hierarchy due to a decrease in investment by lower ranked individuals. Furthermore, hierarchy was detrimental to cooperation regardless of whether it was earned or arbitrary. These findings mirror results from nonhuman primates and demonstrate that hierarchies are detrimental to cooperation. However, these results deviate from nonhuman primate findings by demonstrating that human behavior is responsive to changing hierarchical structures and suggests partnership dynamics that may improve cooperation. This work introduces a controlled way to investigate the social influences on human behavior and demonstrates the evolutionary continuity of human behavior with other primate species.
Experimental evidence of the synergistic effects of warming and invasive algae on a temperate reef-builder coral
Authors: Kersting Diego K , Cebrian Emma , Casado Clara , Teixidó Núria , Garrabou Joaquim , Linares Cristina
Published: December 2015

In the current global climate change scenario, stressors overlap in space and time and knowledge on the effects of their interaction is highly needed to understand and predict the response and resilience of organisms. Corals, among many other benthic organisms, are affected by an increasing number of global change-related stressors including warming and invasive species. In this study, the cumulative effects between warming and invasive algae were experimentally assessed on the temperate reef-builder coral Cladocora caespitosa. We first investigated the potential local adaptation to thermal stress in two distant populations subjected to contrasting thermal and necrosis histories. No significant differences were found between populations. Colonies from both populations suffered no necrosis after long-term exposure to temperatures up to 29 °C. Second, we tested the effects of the interaction of both warming and the presence of invasive algae. The combined exposure triggered critical synergistic effects on photosynthetic efficiency and tissue necrosis. At the end of the experiment, over 90% of the colonies subjected to warming and invasive algae showed signs of necrosis. The results are of particular concern when considering the predicted increase of extreme climatic events and the spread of invasive species in the Mediterranean and other seas in the future.
Electronic Structure of Oxide Interfaces: A Comparative Analysis of GdTiO3/SrTiO3 and LaAlO3/SrTiO3 Interfaces
Authors: Banerjee Hrishit , Banerjee Sumilan , Randeria Mohit , Saha-Dasgupta Tanusri
Published: December 2015

Emergent phases in the two-dimensional electron gas (2DEG) formed at the interface between two insulating oxides have attracted great attention in the past decade. We present ab-initio electronic structure calculations for the interface between a Mott insulator GdTiO3 (GTO) and a band insulator SrTiO3 (STO) and compare our results with those for the widely studied LaAlO3/SrTiO3 (LAO/STO) interface between two band insulators. Our GTO/STO results are in excellent agreement with experiments, but qualitatively different from LAO/STO. We find an interface carrier density of 0.5 e−/Ti, independent of GTO thickness in both superlattice and thin film geometries, in contrast to LAO/STO. The superlattice geometry in LAO/STO offers qualitatively the same result as in GTO/STO. On the other hand, for a thin film geometry, the interface carrier density builds up only beyond a threshold thickness of LAO. The positive charge at the vacuum surface that compensates the 2DEG at the interface also exhibits distinct behaviors in the two systems. The compensating positive charge at the exposed surface of GTO charge disproportionates due to correlation effect making the surface insulating as opposed to that in LAO which remains metallic within band theory and presumably becomes insulating due to surface disorder or surface reconstruction.
Horizontal functional gene transfer from bacteria to fishes
Authors: Sun Bao-Fa , Li Tong , Xiao Jin-Hua , Jia Ling-Yi , Liu Li , Zhang Peng , Murphy Robert W. , He Shun-Min , Huang Da-Wei
Published: December 2015

Invertebrates can acquire functional genes via horizontal gene transfer (HGT) from bacteria but fishes are not known to do so. We provide the first reliable evidence of one HGT event from marine bacteria to fishes. The HGT appears to have occurred after emergence of the teleosts. The transferred gene is expressed and regulated developmentally. Its successful integration and expression may change the genetic and metabolic repertoire of fishes. In addition, this gene contains conserved domains and similar tertiary structures in fishes and their putative donor bacteria. Thus, it may function similarly in both groups. Evolutionary analyses indicate that it evolved under purifying selection, further indicating its conserved function. We document the first likely case of HGT of functional gene from prokaryote to fishes. This discovery certifies that HGT can influence vertebrate evolution.
A graphene/ionic liquid modified selenium-doped carbon paste electrode for determination of copper and antimony
Authors: Liu Rong , Lei Cunxi , Zhong Tongsheng , Long Liping , Wu Zhaoyang , Huan Shuangyan , Zhang Qi
Published: December 2015

A graphene (GN) and ionic liquid (IL) modified selenium-doped carbon paste electrode (GN/IL/Se/CPE) was established to simultaneously determine trace Cu(ii) and Sb(iii) by differential pulse voltammetry (DPV).
Nanoelectrodes reveal the electrochemistry of single nickelhydroxide nanoparticles
Authors: Clausmeyer Jan , Masa Justus , Ventosa Edgar , Öhl Dennis , Schuhmann Wolfgang
Published: December 2015

Individual Ni(OH)2 nanoparticles deposited on carbon nanoelectrodes are investigated in non-ensemble measurements with respect to their energy storage properties and electrocatalysis for the oxygen evolution reaction (OER).
Photo-click construction of a targetable and activatable two-photon probe imaging protease in apoptosis
Authors: Zhou Mi , Hu Jing , Zheng Mengmeng , Song Qinhua , Li Jinbo , Zhang Yan
Published: December 2015

Targetable and activatable two-photon probes constructed using photo-click chemistry were conducted in mitochondria, lysosome and apoptosis imaging.
A small molecule probe reveals declined mitochondrial thioredoxin reductase activity in a Parkinson's disease model
Authors: Liu Yaping , Ma Huilong , Zhang Liangwei , Cui Yajing , Liu Xiaoting , Fang Jianguo
Published: December 2015

The first off–on probe, Mito-TRFS, for imaging the mitochondrial thioredoxin reductase (TrxR2) in live cells was reported.
Alteration of texture and polymorph of phenytoin within thin films and its impact on dissolution
Authors: Röthel Christian , Ehmann Heike M. A. , Baumgartner Ramona , Reischl Daniela , Werzer Oliver
Published: December 2015

By a change of texture and polymorph the dissolution characteristic of a drug molecule changes.
Halogen bonding in a multi-connected 1,2,2-triiodo-alkene involving geminal and/or vicinal iodines: a crystallographic and DFT study
Authors: Berger G. , Robeyns K. , Soubhye J. , Wintjens R. , Meyer F.
Published: December 2015

Four halogen-bonded organizations of a 1,2,2-triiodo-alkene involving geminal and/or vicinal iodine atoms were studied both by X-ray diffraction and density functional theory (DFT).
X-ray absorption spectroscopy of lithium insertion and de-insertion in copper birnessite nanoparticle electrodes
Authors: Pelliccione Christopher J. , Li Yue Ru , Marschilok Amy C. , Takeuchi Kenneth J. , Takeuchi Esther S.
Published: December 2015

X-ray absorption spectroscopy allowed elucidation of reversible interconversion of copper ions to nano-size Cu0and retention of the manganese oxide framework upon cycling of copper birnessite in lithium batteries, rationalizing the enhanced capacity over copper-free birnessite.
Surface plasmon resonance of silver and gold nanoparticles in the proximity of graphene studied using the discrete dipole approximation method
Authors: Amendola Vincenzo
Published: December 2015

Surface plasmon resonance (SPR) of Ag and Au nanoparticles (spheres, rods, discs) is damped when they are located at less than 5 nm from graphene flakes or embedded in a graphene matrix.
Molecular dynamics study on the nucleation of methane + tetrahydrofuran mixed guest hydrate
Authors: Wu Jyun-Yi , Chen Li-Jen , Chen Yan-Ping , Lin Shiang-Tai
Published: December 2015

The formation of the first nondisappearing cluster in CH4 + THF mixed guest clathrate hydrate nucleation.
Oxygen-doped porous silicon carbide spheres as electrode materials for supercapacitors
Authors: Kim Myeongjin , Ju Hyun , Kim Jooheon
Published: December 2015

Oxygen-containing functional groups were introduced onto the surface of the micro- and meso-porous silicon carbide sphere (MMPSiC) in order to investigate the relationship between the electric double layer properties and pseudo-capacitive properties; the degree of oxidation of MMPSiC was also optimized.
Cyclic NHC-stabilized silylphosphinoalanes and -gallanes
Authors: Kapitein Manuel , Balmer Markus , Niemeier Lukas , von Hänisch Carsten
Published: December 2015

The reaction between prestabilized group 13 metal hydrides and primary silylphosphines lead to the formation of rare, butterfly-like folded, four membered rings including free lone pairs on the phosphorus atoms, wherein the Lewis base can readily be substituted by N-heterocyclic carbenes.
All-metal electride molecules CuAg@Ca7M (M = Be, Mg, and Ca) with multi-excess electrons and all-metal polyanions: molecular structures and bonding modes as well as large infrared nonlinear optical responses
Authors: He Hui-Min , Li Ying , Sun Wei-Ming , Wang Jia-Jun , Wu Di , Zhong Rong-Lin , Zhou Zhong-Jun , Li Zhi-Ru
Published: December 2015

All-metal electride molecules, CuAg@Ca7M (M = Be, Mg and Ca), have been designed and researched in theory for the first time.
Drug trapping in hERG K+ channels: (not) a matter of drug size?
Authors: Linder Tobias , Bernsteiner Harald , Saxena Priyanka , Bauer Florian , Erker Thomas , Timin Eugen , Hering Steffen , Stary-Weinzinger Anna
Published: December 2015

The hERG cavity can trap very bulky compounds, without perturbing normal gate closure.
Nanostructured SnS with inherent anisotropic optical properties for high photoactivity
Authors: Patel Malkeshkumar , Chavda Arvind , Mukhopadhyay Indrajit , Kim Joondong , Ray Abhijit
Published: December 2015

Tin(ii) sulfide is a fascinating solar energy material due to its anisotropic material properties. In this manuscript, we report on exploiting the 2D structure modulated optical properties of nanocrystalline SnS thin film synthesis by chemical spray pyrolysis using ambient transport in the harvesting of solar energy.
Bioresponsive carbon nano-gated multifunctional mesoporous silica for cancer theranostics
Authors: Prasad Rajendra , Aiyer Sandhya , Chauhan Deepak S. , Srivastava Rohit , Selvaraj Kaliaperumal
Published: December 2015

A successful design of a novel dual functional green fluorescent CQD functionalized mesoporous silica based nano-theranostic agent for targeted bio-imaging and bio-responsive drug release has been reported. This study proves that the release of a preloaded anticancer drug is triggered by exposure to a tumor like environment which makes it an efficient theranostic system for cancer therapy.
Towards a general growth model for graphene CVD on transition metal catalysts
Authors: Cabrero-Vilatela Andrea , Weatherup Robert S. , Braeuninger-Weimer Philipp , Caneva Sabina , Hofmann Stephan
Published: December 2015

A first-order model for graphene CVD on transition metal catalysts that combines kinetic and thermodynamic considerations is developed and experimentally verified.
Copper-catalyzed tandem Ullmann type C–N coupling and dehydrative cyclization: synthesis of imidazo[1,2-c]quinazolines
Authors: Nandwana Nitesh K. , Dhiman Shiv , Shelke Ganesh M. , Kumar Anil
Published: December 2015

A simple and efficient one-pot protocol has been demonstrated for the synthesis of imidazo[1,2-c]quinazoline derivatives through a copper catalyzed tandem reaction between substituted 2-(2-bromophenyl)-1H-imidazoles and formamide.
Multi-shelled LiMn2O4 hollow microspheres as superior cathode materials for lithium-ion batteries
Authors: Wang Feng , Wang Jiangyan , Ren Hao , Tang Hongjie , Yu Ranbo , Wang Dan
Published: December 2015

Multi-shelled LiMn2O4 hollow microspheres are prepared with high uniformity, exhibiting impressive cycling stability as cathode materials for lithium-ion batteries.
Nanocomposites by the use of simultaneous twin polymerization: tin alloys in a carbon/silica matrix
Authors: Leonhardt Christian , Seifert Andreas , Csihony Szilard , Sommer Heino , Mehring Michael
Published: December 2015

Twin polymerization is used as a novel nonaqueous route to synthesize composites composed of nanoparticular tin alloys in a porous carbon/silica matrix.
Facet-dependent performance of BiOBr for photocatalytic reduction of Cr(vi)
Authors: Fan Zao , Zhao Yubao , Zhai Wei , Qiu Liang , Li Hui , Hoffmann Michael R.
Published: December 2015

BiOBr dominated with {110} facets giving a specific rate constant 3 times as high as BiOBr with {001} facets, and its much stronger internal electric field was believed to be the main reason.
Adsorption and gas-sensing characteristics of a stoichiometric α-Fe2O3(0 0 1) nano thin film for carbon dioxide and carbon monoxide with and without pre-adsorbed O2
Authors: Shi Changmin , Chen Yanping , Liu Hongmei , Cui Guangliang , Ju Lin , Chen Li
Published: December 2015

The opposite behaviors of charge transformation for CO2and CO molecules adsorbed on an α-Fe2O3(0 0 1) nano thin film with and without pre-adsorbed O2.
Selective decolorization of cationic dyes by peroxymonosulfate: non-radical mechanism and effect of chloride
Authors: Lei Yang , Chen Chuh-Shun , Ai Jia , Lin Heng , Huang Yao-Hui , Zhang Hui
Published: December 2015

PMS alone is able to decolorize cationc dyes without the need for any catalysts.
Waterborne biodegradable polyurethane 3-dimensional porous scaffold for rat cerebral tissue regeneration
Authors: Wang Yan-Chao , Fang Fang , Wu Ying-Ke , Ai Xiao-Lin , Lan Ting , Liang Rui-Chao , Zhang Yu , Trishul Narasimha Murthy , He Min , You Chao , Yu Chuan , Tan Hong
Published: December 2015

It was demonstrated for the first time that WBPU 3D scaffold had axonal and synaptic regeneration abilities in rat brains.
One-dimensional photonic crystals: fabrication, responsiveness and emerging applications in 3D construction
Authors: Shen Huaizhong , Wang Zhanhua , Wu Yuxin , Yang Bai
Published: December 2015

Classical usages of one-dimensional photonic crystals and emerging applications in 3D construction.
Synthesis and optical properties of covalently bound Nile Red in mesoporous silica hybrids – comparison of dye distribution of materials prepared by facile grafting and by co-condensation routes
Authors: Börgardts Markus , Verlinden Kathrin , Neidhardt Manuel , Wöhrle Tobias , Herbst Annika , Laschat Sabine , Janiak Christoph , Müller Thomas J. J.
Published: December 2015

The fluorescence dye Nile Red (NR) can be covalently ligated to hexagonally ordered, mesoporous MCM-41 materialsviaco-condensation and post grafting routes for investigating differences in the dye distribution.
Food-grade nanoparticles for encapsulation, protection and delivery of curcumin: comparison of lipid, protein, and phospholipid nanoparticles under simulated gastrointestinal conditions
Authors: Zou Liqiang , Zheng Bingjing , Zhang Ruojie , Zhang Zipei , Liu Wei , Liu Chengmei , Xiao Hang , McClements David Julian
Published: December 2015

The potential of three nanoparticle-based delivery systems to improve curcumin bioavailability was investigated: lipid nPs (nanoemulsions); protein nPs (zein nanosuspensions); and, phospholipid nPs (nanoliposomes).
Powering tyrosol antioxidant capacity and osteogenic activity by biocatalytic polymerization
Authors: Antenucci Stefano , Panzella Lucia , Farina Hermes , Ortenzi Marco Aldo , Caneva Enrico , Martinotti Simona , Ranzato Elia , Burlando Bruno , d'Ischia Marco , Napolitano Alessandra , Verotta Luisella
Published: December 2015

Oxidative polymerization of tyrosol afforded a mixture of oligomers (OligoTyr) which proved to be more active than tyrosol as antioxidant and as stimulator of alkaline phosphatase (ALP) activity when loaded into polylactic acid (PLA) scaffolds.
A simple method for fabrication of microfluidic paper-based analytical devices and on-device fluid control with a portable corona generator
Authors: Jiang Yan , Hao Zhenxia , He Qiaohong , Chen Hengwu
Published: December 2015

A simple method for fabrication of microfluidic paper-based analytical devices and on-device fluid control with a portable corona generator was developed.
Bis-ammonium immobilized polystyrenes with co-catalyzing functional end groups as efficient and reusable heterogeneous catalysts for synthesis of cyclic carbonate from CO2 and epoxides
Authors: Deng Qingyuan , He Gaohong , Pan Yu , Ruan Xuehua , Zheng Wenji , Yan Xiaoming
Published: December 2015

Novel bis-ammonium immobilized polystyrenes with co-catalyzing functional groups were prepared for efficient synthesis of cyclic carbonate from CO2 and epoxides.
Solvothermal method coupled with thermal decomposition for synthesis of non-stoichiometric BiO1.18I0.64 with excellent photocatalytic activity
Authors: Guan Yuan , Wang Shaomang , Wang Xin , Sun Cheng , Wang Yongbo , Ling Zeyu
Published: December 2015

Synthesis of non-stoichiometric BiO1.18I0.64via a solvothermal method coupled with thermal decomposition.
New understanding on the reaction pathways of the polyacrylonitrile copolymer fiber pre-oxidation: online tracking by two-dimensional correlation FTIR spectroscopy
Authors: Zhao Jing , Zhang Jihai , Zhou Tao , Liu Xifei , Yuan Qiang , Zhang Aiming
Published: December 2015

FTIR spectroscopy in combination with scaling-MW2D and 2D correlation analysis is used to study the reaction pathways of polyacrylonitrile copolymer fibers pre-oxidation.
A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain
Authors: Cox Oakley B. , Krojer Tobias , Collins Patrick , Monteiro Octovia , Talon Romain , Bradley Anthony , Fedorov Oleg , Amin Jahangir , Marsden Brian D. , Spencer John , von Delft Frank , Brennan Paul E.
Published: December 2015

High concentration crystal soaking of poised fragments and one-step elaboration identified compound 17 as an inhibitor of the PHIP(2) bromodomain.
Deformation of a soft helical filament in an axial flow at low Reynolds number
Authors: Jawed Mohammad K. , Reis Pedro M.
Published: December 2015

We perform a numerical investigation of the deformation of a rotating helical filament subjected to an axial flow, under low Reynolds number conditions. This problem is motivated by the propulsion of bacteria that use a helical flagella.
A microcontact impedance study on NASICON-type Li1+xAlxTi2−x(PO4)3(0 ≤ x ≤ 0.5) single crystals
Authors: Rettenwander D. , Welzl A. , Pristat S. , Tietz F. , Taibl S. , Redhammer G. J. , Fleig J.
Published: December 2015

We successfully demonstrated the applicability of microcontact impedance spectroscopy (MC IS) on Li+conducting solid electrolytes and measured the Li+bulk conductivity (σb) of LiTi2(PO4)3(LTP) and Li1+xAlxTi2−x(PO4)3(LATP) single crystals independent of microstructural effects (e.g., grain boundaries, pores, and density).
Constructing graphite-like carbon nitride modified hierarchical yolk–shell TiO2 spheres for water pollution treatment and hydrogen production
Authors: Jiang Zhifeng , Zhu Chengzhang , Wan Weiming , Qian Kun , Xie Jimin
Published: December 2015

Here we present a new visible light active composite based on porous graphitic carbon nitride decorated hierarchical yolk–shell TiO2 spheres for water pollution treatment and H2 evolution.
Hybrid polymeric nano-capsules loaded with gold nanoclusters and indocyanine green for dual-modal imaging and photothermal therapy
Authors: Gu Wei , Zhang Qi , Zhang Ting , Li Yingying , Xiang Jian , Peng Rui , Liu Jian
Published: December 2015

BSA-capped gold nanoclusters (AuNCs) and indocyanine green (ICG) loaded polymeric nano-capsules for theranostic applications.
Dual emissive analogue of deoxyuridine as a sensitive hydration-reporting probe for discriminating mismatched from matched DNA and DNA/DNA from DNA/RNA duplexes
Authors: Barthes Nicolas P. F. , Gavvala Krishna , Dziuba Dmytro , Bonhomme Dominique , Karpenko Julie , Dabert-Gay Anne S. , Debayle Delphine , Demchenko Alexander P. , Benhida Rachid , Michel Benoît Y. , Mély Yves , Burger Alain
Published: December 2015

Herein, we report the incorporation in DNA of a tailored dual emissive probe with exquisite sensitivity to hydration.
A model for carbon incorporation from trimethyl gallium in chemical vapor deposition of gallium nitride
Authors: Danielsson Örjan , Li Xun , Ojamäe Lars , Janzén Erik , Pedersen Henrik , Forsberg Urban
Published: December 2015

Carbon doping during CVD of GaN semiconductor materials is modeled using ab initio quantum chemical calculations and computational fluid dynamics.
Double Bipolar Sealing of the Pulmonary Artery Improves the Bursting Pressures
Authors: vom Hofe Burkhardt , Pehl Anika , Bartsch Detlef , Kirschbaum Andreas
Published: December 2015

Background In every anatomic lung resection, branches of the pulmonary artery have to be divided. In open surgery, this can be done with ligatures or staplers. In endoscopic surgery, only an endostapler can be used. By routing we ligate the vessels double. Bipolar sealing had yielded promising results, so we wanted to know if we can improve the bursting pressures especially in case of larger vessels by double sealing.

Methods Experiments were performed on preparations of the left pulmonary artery extracted at the slaughterhouse. A pressure sensor was implanted at the central end to provide digital measurement of the pneumatic load on the vessel seal and thus establish bursting pressure in each case. Vessels were sealed with MARSEAL 5 (Gebrüder Martin GmbH & Co KG, Tuttlingen, Germany) and SealSafe G3 electric current. The vessels investigated were separated into three sizes: 1 to 6 mm, 7 to 12 mm, and >12 mm. The groups (n = 12 in each) were investigated for each vessel size—Group 1: ligature; Group 2: single seal; Group 3: double seals separated by gap of 0.5 cm; and Group 4: double seals separated by gap of 1.0 cm. Mean bursting pressure (mbar) was calculated for each group. Differences between groups were calculated with Mann–Whitney U test; differences with p < 0.05 were considered significant.

Results The ligated vessels in the 1 to 6 mm group showed the highest bursting pressures (mean 515.7 ± 39.6 mbar). Mean bursting pressure in the single seal group was 231.6 ± 47.5 mbar. This was not significantly different from the group with double seals placed 0.5 cm apart. However, bursting pressures were significantly higher in the group with double seals placed 1 cm apart (p < 0.001). Mean value in this case was 308.5 ± 44.5 mbar. In the 7 to 12 mm vessels, mean bursting pressure was highest with ligation at 361 ± 67.1 mbar but was significantly higher in both groups with double bipolar seals (180.3 ± 52.1 mbar with 0.5-cm separation and 277.0 ± 64.5 with 1-cm separation) than in the single seal group (102.7 ± 16.1 mbar). In large vessels (>12 mm), mean bursting pressures were low (66.3 ± 12.7 mbar) with single seals but were significantly higher with double seals (162.3 ± 35.8 mbar [0.5-cm separation] and 137.3 ± 22.9 mbar [1-cm separation]).

Conclusions In the ex vivo model of the pulmonary artery, double seals revealed significantly higher bursting pressures than single seals. If there is enough vessel length, the two seals should be placed 1 cm apart.
Instrumente zur Messung von Effekten einer Frühintervention auf den Erhalt bzw. die Wiederherstellung der Arbeitsfähigkeit in Deutschland – Stellungnahme einer interdisziplinären Arbeitsgruppe
Authors: Amler N. , Felder S. , Mau W. , Merkesdal S. , Schöffski O. ,   und Mitglieder des Arbeitsgruppe
Published: December 2015

Zielsetzung: In Projekten zur Frühintervention werden eine Vielzahl unterschiedlicher Instrumente zur Messung von Interventionseffekten auf den Erhalt bzw. die Wiederherstellung von Arbeitsfähigkeit eingesetzt. Ziel dieser Arbeit ist es, ein geeignetes Instrument bzw. eine Auswahl geeigneter Instrumente vorzuschlagen, damit in Zukunft verschiedene Interventionsansätze verglichen und die Datenqualität verbessert werden kann.

Methodik: Es wurde eine systematischen Literaturrecherche durchgeführt, um die aktuell vorhandenen Messinstrumente in der verfügbaren internationalen Literatur abzubilden. Zudem wurde anhand strukturierter Interviews mit Leitern bestehender Frühinterventionsprojekte oder Repräsentanten anderer Interventionsansätze die Kenntnis und Anwendung der Messinstrumente in Deutschland eruiert. Anschließend wurde im Rahmen eines Arbeitstreffens aus den Ergebnissen der Literaturrecherche und der Interviews eine Empfehlung abgeleitet.

Ergebnisse und Stellungnahme: Es gibt derzeit kein Instrument, das für die genannte Zielsetzung uneingeschränkt empfohlen werden könnte. Nach den Ergebnissen der Literaturrecherche und der Interviews empfiehlt die Arbeitsgruppe als ersten Schritt den Work Ability Index (WAI, Schwerpunkt Arbeitsfähigkeit) und den Work Productivity and Activity Impairment Questionnaire (WPAI, Schwerpunkt Absentismus und Präsentismus) zu nutzen. Beide Fragebögen sind frei in deutscher Sprache verfügbar und versprechen einen guten Kompromiss hinsichtlich psychometrischer Gütekriterien sowie Praktikabilität und Anwendungsrealität. Die Messinstrumente sollen weiterentwickelt werden mit dem Ziel ein optimiertes Instrument zu etablieren, das die Stärken beider Instrumente vereint.

Schlussfolgerung: Wenn zukünftig bei möglichst vielen Frühinterventionsansätzen in Deutschland der WAI und der WPAI zum Einsatz kommen, würde sich die Datengrundlage im Sinne einer besseren Vergleichbarkeit verbessern. Schwerpunkt der weiteren Forschungsarbeit muss es aber sein, ein optimiertes Instrument aus Elementen von WAI und WPAI zu entwickeln, um damit die Arbeitsfähigkeit sowie Effekte einer Intervention auf den Erhalt oder die Wiederherstellung der Arbeitsfähigkeit in Deutschland unabhängig vom Setting messen zu können.
Hydrodynamic interactions between two forced objects of arbitrary shape. I. Effect on alignment
Authors: Goldfriend Tomer , Diamant Haim , Witten Thomas A.
Published: December 2015

We study the properties and symmetries governing the hydrodynamic interaction between two identical, arbitrarily shaped objects, driven through a viscous fluid. We treat analytically the leading (dipolar) terms of the pair-mobility matrix, affecting the instantaneous relative linear and angular velocities of the two objects at large separation. We prove that the instantaneous hydrodynamic interaction linearly degrades the alignment of asymmetric objects by an external time-dependent drive [B. Moths and T. A. Witten, “Full alignment of colloidal objects by programed forcing,” Phys. Rev. Lett. 110, 028301 (2013)]. The time-dependent effects of hydrodynamic interactions are explicitly demonstrated through numerically calculated trajectories of model alignable objects composed of four stokeslets. In addition to the orientational effect, we find that the two objects usually repel each other. In this case, the mutual degradation weakens as the two objects move away from each other, and full alignment is restored at long times.
Size-dependent error of the density functional theory ionization potential in vacuum and solution
Authors: Sosa Vazquez Xochitl A. , Isborn Christine M.
Published: December 2015

Density functional theory is often the method of choice for modeling the energetics of large molecules and including explicit solvation effects. It is preferable to use a method that treats systems of different sizes and with different amounts of explicit solvent on equal footing. However, recent work suggests that approximate density functional theory has a size-dependent error in the computation of the ionization potential. We here investigate the lack of size-intensivity of the ionization potential computed with approximate density functionals in vacuum and solution. We show that local and semi-local approximations to exchange do not yield a constant ionization potential for an increasing number of identical isolated molecules in vacuum. Instead, as the number of molecules increases, the total energy required to ionize the system decreases. Rather surprisingly, we find that this is still the case in solution, whether using a polarizable continuum model or with explicit solvent that breaks the degeneracy of each solute, and we find that explicit solvent in the calculation can exacerbate the size-dependent delocalization error. We demonstrate that increasing the amount of exact exchange changes the character of the polarization of the solvent molecules; for small amounts of exact exchange the solvent molecules contribute a fraction of their electron density to the ionized electron, but for larger amounts of exact exchange they properly polarize in response to the cationic solute. In vacuum and explicit solvent, the ionization potential can be made size-intensive by optimally tuning a long-range corrected hybrid functional.