bluuebunny/crossref_metadata_2025 huggingface dataset:
A Multivariate Filter to Estimate Potential Output and NAIRU for the Maltese Economy
Authors: Micallef Brian
Published: May 2016

This paper applies a multivariate filter on a small macroeconomic model to derive estimates of Malta’s potential output growth, the output gap and NAIRU. The unobservable variables are derived from a system that incorporates long-standing relationships in economic theory, such as the Phillips Curve and Okun’s Law, while also allowing for hysteresis effects. Given the structural changes in the Maltese economy, with a shift over the past decade from traditional industries such as manufacturing towards higher-value added and export-oriented services, the model replaces a common variable used in the literature, capacity utilization in manufacturing, with two foreign variables, demand and imported inflation. The inclusion of foreign variables is important since Malta is one of the most open economies in the world with a high degree of import content. The model is also able to account for the high degree of volatility manifested in the time series of very small open economies. The estimates from the multivariate filter are compared with those derived from alternative approaches. Despite the negative impact from the financial crisis of 2009, by 2014 potential output growth had already surpassed the pre-crisis growth rates. The crisis had no permanent impact on NAIRU. This performance is clearly at odds with that of other European economies and bodes well for Malta’s convergence process.
Assessing the Exchange Rate Volatility as an External Shock to Chinese Economy
Authors: Azimi Mohammad Naim
Published: May 2016

Theoretically, the rate of exchange is one of the major drivers of inflation that influences the wholesale price index (WPI) in countries where significant emphasis is put over import and export like China. In this paper, the exchange rate’s clustering volatility and its impulsiveness as an external shock to WPI is investigated on a set of time series data which represents 4,067 daily observation of Chinese Economy from August 12, 2004-September 30, 2015. The ordinary least square and weighted regression analysis reveal significant p-values of 0.000 for exchange rate that explain the WPI throughout the stated period. The autoregressive conditional heteroskedasticity and generalized autoregressive conditional heteroskedasticity model exhibit significant probability value of 0.000 and 0.044 respectively for WPI and the exchange rate. It is found that the previous days’ volatility of WPI influences the future volatility of WPI as an internal shock in addition to the previous days’ impulsiveness of the exchange rate which influences the future volatility of the WPI as an external shock. The testing models are thoroughly applied and their stability and validity are evidenced thereto.
Nonlinear Dynamics of Financial Development on Trade Balance
Authors: Belen Muhammet
Published: May 2016

The goal of this study is to investigate the non-linear dynamics of financial development on trade balance in Turkey. For the period of 1987Q1-2015Q2, by employing nonlinear autoregressive distributed lag (NARDL) approach to cointegration, it is found that there is cointegration between these variables. This finding suggests that both increase and decrease in financial development have different impacts on trade balance. The relationship between financial development and trade balance has also negative sign. This finding asserts that an improvement in financial development will cause a significant deterioration in trade balance while opposite is also true but with less impact. The results of the study support the empirical literature which has identified the relationship between financial development and growth as being highly correlated. But it does not support using financial development as a policy tool to reduce trade balance.
Wereldbeelden en weerbaarheid van Turks-Nederlandse jongeren
Authors: Geelhoed F. , Staring R.H.J.M.
Published: May 2016

World views and resilience of Turkish-Dutch youngsters. The two faces of a strong internal orientation

Many of the common academic explanations for radicalization and extremism are present among Turkish-Dutch youngsters. Based on qualitative research among 150 youngsters with a Turkish background, the authors describe how these youngsters are catching up with their disadvantaged socioeconomic position in the areas of education and labor. These Muslim youngsters feel that they and Islam are increasingly met with distrust and exclusion in mainstream society. In the sociocultural domain of incorporation, Turkish-Dutch youngsters are very diverse, but within this diversity focussed on their own ethnic group. Although these characteristics as deprivation, exclusion and strong internal orientation are commonly used as risks for radicalization, these Turkish-Dutch youngsters seem not to be attracted to Islamic radicalism nor extremism. The authors explain this through the opportunities for political participation within their communities and the specific Turkish secular Islam that offers room for a more individualized religious interpretation. In addition the strong internal focus of these youngsters and the solidity of the Turkish communities create strain between different Turkish religious or political groups, but also offer them a very strong, positive identity and feelings of belonging.
Higher-order regularization and morphological techniques for image segmentation
Authors: Márquez Neila Pablo
Published: May 2016

Image segmentation is an important ﬁeld in computer vision and one of its most active research areas, with applications in image understanding, object detection, face recognition, video surveillance or medical image processing. Image segmentation is a challenging problem in general, but especially in the biological and medical image ﬁelds, where the imaging techniques usually produce cluttered and noisy images and near-perfect accuracy is required in many cases.In this thesis we ﬁrst review and compare some standard techniques widely used for medical image segmentation. These techniques use pixel-wise classiﬁers and introduce weak pair-wise regularization which is insufﬁcient in many cases. We study their difﬁculties to capture higher-level structural information about the objects to segment. This deﬁciency leads to many erroneous detections, ragged boundaries, incorrect topological conﬁgurations and wrong shapes. To deal with these problems, we propose a new regularization method that learns shape and topological information from training data in a non-parametric way using higher-order potentials.
Musikkens betydning på en større gård i mellemkrigstiden
Authors: Koudal Jens Henrik
Published: May 2016

The meaning of music at a large farm during the inter-war period This article investigates music as culture from a historical, ethno-musicological perspective. Jens Henrik Koudal bases his work on the preserved music collection and large private archives of Christian Olsen (1881–1968), who was born and spent most of his life on the farm Torpelund in Zealand, Denmark. From Olsen’s collection, it is possible to make a historical reconstruction of the rich musical life that took place on the farm, and the purpose of the article is to examine what the musical activities meant to the Olsen family’s social and cultural identity; i.e., both their self-conceptualisation and their marking of identity towards their surroundings. The article’s method is rooted in a ‘broad’ concept of culture, along with Christopher Small’s concept ‘musicking’ and new musicology’s tendency to focus on the practice of music-making rather than on ‘great’ composers and books of music. Torpelund is compared to similar settings in England (e.g., East Suffolk around 1900, according to Carole Pegg) and Western concert halls (around 1980, according to Christopher Small). During the inter-war period, the Olsen family gathered together a circle of diverse people, including relatives, friends, business connections and other musicians, who all participated in the “musicking” as equals. Their repertoire consisted of classical and romantic Viennese music from c. 1780–1890, plus the family’s old folk-dancing music (arranged by members of the family). In its own opinion, the circle’s music-making was a ‘higher’ kind of music that established clear distinctions towards lower social classes, towards other races (e.g., blacks with their ragtime and jazz) and towards modern music (e.g., art music and popular music). Specific to Torpelund are three concepts, which also characterise the social and cultural identity of the Olsen family: conservatism, privacy and exclusivity. The musical practices of the Olsens at Torpelund indicate that, during the inter-war period, the family can be seen as a particular amalgamation of the peasant family, the part of the country (northwestern Zealand) and an international, middle-class education.
Arbejderen mellem praksis og ideologisering 1850-2000
Authors: Nielsen Niels Jul
Published: May 2016

The worker between practice and ideology: 1850–2000   Labour culture and the labour movement have previously been prominent fields of research. On the one hand, this had to do with the profound societal influence of the labour movement; on the other hand, it had to do with the fact that many scholars regarded a self-conscious labour class as a means to balance capitalism’s negative aspects, if not simply to overcome them. Based upon this background, the author argues that the common worker has hitherto not been satisfactorily understood as a subject of cultural history. Using detailed investigations amongst workers on the workshop floor at Denmark’s largest enterprise in the period from 1850 to 2000, the author emphasises how complex and diverse the everyday working life of industrialism actually was – and hence, also the relations between workers as well as employers and society as a whole. This bottom-up analysis is linked to a top-down perspective; here, the author argues that, as seen from the overall perspective of the state, the labour population – with varying intensity – played a very strong strategic role from around 1870 to 1990. Simply stated, consideration for the well-being of the labour population was understood as a precondition for societal cohesion. In theoretical terms, the author draws upon the structural state-form and life-mode analysis, where the idea of a ‘wage-earner’ life-mode is understood in its reciprocal relationship to the capitalist mode of production and, hence, not as a potential means to overcome capitalism. With this background, the labour movement’s alleged objective to overcome capitalism – whether through revolution or long-term reforms – is instead analysed as an effectual means in the movement’s struggles. The argument is as follows: the threat of societal transformation, which occurred over a number of decades – not least of all during the Cold War’s polarisation of capitalism and communism – led to significant attention being paid to workers’ claims of improving life conditions. Accordingly, the changed world order that followed the end of the Cold War is seen as a main reason for why concepts such as ‘worker’ or ‘labourer’ are infrequently used today, and for why the labour movement has experienced a severe debilitation in recent years.
I vælten: kulturanalysens nye hverdag
Authors: Petersen Morten Krogh , Munk Anders Kristian
Published: May 2016

In vogue: the new everyday of cultural analysis   Based on two examples from user-driven innovation projects, we discuss what it means to undertake cultural analysis when the task is to change practices of everyday life. Whether it is about new garbage bins or new bathrooms, the examples enable us to demonstrate how and why companies and public-sector institutions are increasingly inviting cultural analysts to contribute to their work. At the same time, the examples allow us to illustrate some of the difficulties that cultural analysts experience when they – in the name of change – begin to scrutinise and ‘stir up’ the practices of everyday life; for instance, by studying how citizens with disabilities handle garbage and personal hygiene. What happens, we ask, when cultural analysis is called upon to inform the ways in which such complex practices might change? Through our two examples, we show how the difficulty relates to balancing a desire for change with a respect for the durable structures and fundamental differences of everyday life. One of the main objectives of cultural analysis is to identify and describe such structures and differences, and then to bring our insights to the attention of various stakeholders. As a result, cultural analysis – often via ethnographic fieldwork – brings citizens and users into being. This cannot always be fitted into the predefined range of possibilities that many change-oriented projects – consciously or unconsciously – operate within.
Fra forfald til forbedring. Ændrede opfattelser af ældres sundhed i Danmark i det 20. århundrede
Authors: Jensen Tenna
Published: May 2016

Artiklen sætter gennem en analyse af københavnsk ældrepolitik fokus på, hvornår og hvorfor opfattelsen af ældres sundhed ændrede sig fra et upåvirkeligt forfald til den nutidige sundhedsopfattelse, hvor de ældres kroppe er en påvirkelig størrelse, der kan bedres og vedligeholdes ved hjælp af kost og motion. Artiklen søger gennem en analyse af ældrepolitiske diskussioner i Københavns Kommunes Borgerrepræsentation, i perioden 1892 til 1964, at datere ændringen i sundhedsopfattelsen med det formål at bidrage med ny viden om udviklingen af sundhedsopfattelser i Danmark, samt at klarlægge oprindelsen og rammerne for den nuværende ældrepolitiske kurs.
Naturligvis? Når lys, hunde og kønsceller sætter naturen til forhandling på fertilitetsklinikken
Authors: Adrian Stine Willum
Published: May 2016

Hvad laver forestillinger om det naturlige på en fertilitetsklinik, og hvilke implikationer har anvendelsen af det naturlige, når praksisser etableres til at skabe børn via teknologi? Det er spørgsmål denne artikel rejser på baggrund af et etnografisk studie på fertilitetsklinikker i Danmark og Sverige, hvor forestillinger om det naturlige var centralt i både laboratoriepraksisser og i de etiske grænser, der var sat via lovgivere. Artiklen undersøger fire forskellige situationer, der illustrerer, hvordan naturlighedens paradoks materialiserer sig på forskellige måder på fertilitetsklinikkerne, ofte med konsekvenser for humane og ikke-humane aktører. Artiklen peger derfor på behovet for at skabe en post-naturlig etik, der tager udgangspunkt i det grundlæggende spørgsmål, Cui bono?
Bias correction of precipitation through Singularity Stochastic Removal: Because occurrences matter
Authors: Vrac Mathieu , Noël Thomas , Vautard Robert
Published: May 2016

This study focuses on how the treatment of the rainfall occurrences in bias correction (BC) contexts may affect the resulting precipitation, both in terms of occurrence and intensity. Three methodologies are compared—the “direct approach” (DA), the “Threshold Adaptation” approach (TA), and the “Positive Approach” (Pos)—as well as a method called “Singularity Stochastic Removal” (SSR) specifically developed for precipitation, all based on the same adjustment technique. Unlike the three other models, SSR allows dealing in the same way with the situations where the precipitation model has too many wet days or not with respect to the reference data. SSR also avoids separating the correction of the occurrence from that of the intensity, which constitutes a flexible tool. First, the four approaches are applied to a historical regional climate model precipitation run. Evaluations are realized through occurrence‐ and intensity‐related criteria. Although SSR, DA, and Pos may be close to each other depending on the criterion, in general, SSR provides the best results when all criteria are accounted for. This is even more true when the classical assumption that “the model precipitation had too many wet days” does not hold. The BC methods are also intercompared over the 2071–2100 period. The different BC methods are in agreement with previous studies, with relatively equivalent evolutions from 1976–2005 to 2071–2100, although nuances are present from one BC method to another. As a global conclusion, the SSR method for precipitation is a good compromise to correct both occurrences and intensities.
High‐latitude topside ionospheric vertical electron density profile changes in response to large magnetic storms
Authors: Benson Robert F. , Fainberg Joseph , Osherovich Vladimir A. , Truhlik Vladimir , Wang Yongli , Bilitza Dieter , Fung Shing F.
Published: May 2016

Large magnetic‐storm‐induced changes were detected in high‐latitude topside vertical electron density profiles Ne(h) in a database of profiles and digital topside ionograms, from the International Satellites for Ionospheric Studies (ISIS) program, that enabled Ne(h) profiles to be obtained in nearly the same region of space before, during, and after a major magnetic storm (Dst < −100 nT). Storms where Ne(h) profiles were available in the high‐latitude Northern Hemisphere had better coverage of solar wind parameters than storms with available Ne(h) profiles in the high‐latitude Southern Hemisphere. Large Ne(h) changes were observed during all storms, with enhancements and depletions sometimes near a factor of 10 and 0.1, respectively, but with substantial differences in the responses in the two hemispheres. Large spatial and/or temporal Ne(h) changes were often observed during Dst minimum and during the storm recovery phase. The storm‐induced Ne(h) changes were the most pronounced and consistent in the Northern Hemisphere in that large enhancements were observed during winter nighttime and large depletions during winter and spring daytime. The limited available cases suggested that these Northern Hemisphere enhancements increased with increases of the time‐shifted solar wind velocity v, magnetic field B, and with more negative values of the B components except for the highest common altitude (1100 km) of the profiles. There was also some evidence suggesting that the Northern Hemisphere depletions were related to changes in the solar wind parameters. Southern Hemisphere storm‐induced enhancements and depletions were typically considerably less with depletions observed during summer nighttime conditions and enhancements during summer daytime and fall nighttime conditions.
Decay of mesoscale flux transfer events during quasi‐continuous spatially extended reconnection at the magnetopause
Authors: Hasegawa H. , Kitamura N. , Saito Y. , Nagai T. , Shinohara I. , Yokota S. , Pollock C. J. , Giles B. L. , Dorelli J. C. , Gershman D. J. , Avanov L. A. , Kreisler S. , Paterson W. R. , Chandler M. O. , Coffey V. , Burch J. L. , Torbert R. B. , Moore T. E. , Russell C. T. , Strangeway R. J. , Le G. , Oka M. , Phan T. D. , Lavraud B. , Zenitani S. , Hesse M.
Published: May 2016

We present observations on 2 October 2015 when the Geotail spacecraft, near the Earth's equatorial plane, and the Magnetospheric Multiscale (MMS) spacecraft, at midsouthern latitudes, simultaneously encountered southward jets from dayside magnetopause reconnection under southward interplanetary magnetic field conditions. The observations show that the equatorial reconnection site under modest solar wind Alfvén Mach number conditions remained active almost continuously for hours and, at the same time, extended over a wide range of local times (≥4 h). The reconnection jets expanded toward the magnetosphere with distance from the reconnection site. Geotail, closer to the reconnection site, occasionally encountered large‐amplitude mesoscale flux transfer events (FTEs) with durations about or less than 1 min. However, MMS subsequently detected no or only smaller‐amplitude corresponding FTE signatures. It is suggested that during quasi‐continuous spatially extended reconnection, mesoscale FTEs decay as the jet spatially evolves over distances between the two spacecraft of ≥350 ion inertial lengths.
How do green roofs mitigate urban thermal stress under heat waves?
Authors: Sun Ting , Grimmond C. S. B. , Ni Guang‐Heng
Published: May 2016

As the climate warms, heat waves (HWs) are projected to be more intense and to last longer, with serious implications for public health. Urban residents face higher health risks because urban heat islands exacerbate HW conditions. One strategy to mitigate negative impacts of urban thermal stress is the installation of green roofs (GRs) given their evaporative cooling effect. However, the effectiveness of GRs and the mechanisms by which they have an effect at the scale of entire cities are still largely unknown. The Greater Beijing Region is modeled for a HW scenario with the Weather Research and Forecasting model coupled with a state‐of‐the‐art urban canopy model (Princeton Urban Canopy Model) to examine the effectiveness of GRs. The results suggest that GR would decrease near‐surface air temperature (ΔT2max = 2.5 K) and wind speed (ΔUV10max = 1.0 m s−1) but increase atmospheric humidity (ΔQ2max = 1.3 g kg−1). GRs are simulated to lessen the overall thermal stress as indicated by apparent temperature (ΔAT2max = 1.7°C). The modifications by GRs scale almost linearly with the fraction of the surface they cover. Investigation of the surface‐atmosphere interactions indicates that GRs with plentiful soil moisture dissipate more of the surface energy as latent heat flux and subsequently inhibit the development of the daytime planetary boundary layer (PBL). This causes the atmospheric heating through entrainment at the PBL top to be decreased. Additionally, urban GRs modify regional circulation regimes leading to decreased advective heating under HW.
Bending Fatigue Testing of Commercial Purity Titanium for Dental Implants
Authors: Medvedev Alexander E. , Lapovok Rimma , Estrin Yuri , Lowe Terry C. , Anumalasetty Venkata N.
Published: May 2016

High fatigue strength is one of the major requirements for dental implant materials. It was previously shown that the fatigue strength under conventional stress‐control tension–compression testing can be doubled for commercially pure (CP) titanium processed by equal channel angular pressing. However, the fatigue endurance of an implant exposed to cyclic loading in corrosive media (bodily fluids) may potentially be compromised. In this work, non‐conventional bending fatigue testing in air and in simulated body fluid (SBF) has been carried out for coarse‐grained and ultrafine‐grained CP titanium.
Electronically Passivated Hole‐Blocking Titanium Dioxide/Silicon Heterojunction for Hybrid Silicon Photovoltaics
Authors: Man Gabriel , Schwartz Jeffrey , Sturm James C. , Kahn Antoine
Published: May 2016

Carrier‐selective heterojunctions are important for low‐cost silicon‐based photovoltaic applications. A low temperature (<100 °C) chemical vapor deposition technique is used here to deposit ultrathin (n‐type) titanium dioxide (TiO2) layers onto hydrogen‐passivated surfaces of crystalline‐silicon (c‐Si). Energy level alignment and chemical composition at these abrupt, interfacial layer‐free TiO2/Si heterojunctions are investigated via ultraviolet, X‐ray, and inverse photoemission spectroscopy, for c‐Si doping ranging from p++(1019) to n++(1019). The interface Fermi level position and device‐relevant TiO2/Si band offsets are found to shift monotonically as a function of the Si doping, revealing the absence of Fermi level pinning at the c‐Si interface and pointing to simple Fermi level equilibration as the driving mechanism behind the interface energy level alignment. Electrical transport measurements performed on TiO2/Si‐based diodes confirm the energy level alignment yielded by spectroscopic measurements and the hole‐blocking properties of the TiO2/Si heterojunction, exclude hole conduction in the TiO2 as a transport mechanism, and show carrier recombination at the TiO2/p‐Si heterojunction.
Aluminium(III) Chloride‐Catalyzed Three‐Component Condensation of Aromatic Aldehydes, Nitroalkanes and Sodium Azide for the Synthesis of 4‐Aryl‐NH‐1,2,3‐triazoles
Authors: Hu Qinquan , Liu Yi , Deng Xiaocong , Li Yanjun , Chen Yunfeng
Published: May 2016

An aluminium(III) chloride‐catalyzed three‐component reaction of aromatic aldehydes, nitroalkanes, and sodium azide has been developed; this reaction sequence can be applied to a broad substrate scope and affords the corresponding 4‐aryl‐NH‐1,2,3‐triazoles in good to excellent yields. The milder reaction conditions and easier operation make this AlCl3‐catalyzed protocol more advantageous for the synthesis of 4‐aryl‐NH‐1,2,3‐triazoles.

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Determination of kinetics in batch cooling crystallization processes—A sequential parameter estimation approach
Authors: Pérez‐Calvo José‐Francisco , Kadam Somnath S. , Kramer Herman J. M.
Published: May 2016

A comprehensive methodology to carry out a sequential parameter estimation approach has been developed and validated for the determination of the kinetic parameters of the crystallization of a generic organic compound. The strength of the approach lies in the thorough design of isothermal experiments which facilitate the isolation and/or decoupling of the different crystallization phenomena. This methodology has been applied for the parameter estimation of primary and secondary nucleation, growth and agglomeration kinetics. The resulting crystallization model has been able to reproduce the quantiles
,
and
of the volume‐based particle size distribution of an independent seeded validation experiment with an error below 10 μm. The deviation in the prediction has been increased in the case of an independent unseeded experiment, although errors below the uncertainty of the measurement have been always obtained. The methodology here proposed is intended to be an efficient strategy for rapid modeling of batch crystallization processes. © 2016 American Institute of Chemical Engineers AIChE J, 62: 3992–4012, 2016
Disappearing seasonality in birthweight
Authors: Sohn Kitae
Published: May 2016

Objectives

We estimated seasonality in birthweight over time and assessed how seasonality changed.

Methods

We analyzed all full‐term singletons (N = 8,268,693) born in South Korea in 1997–2014. We first pooled all years and regressed birthweight on birth season while flexibly controlling for a large set of covariates. We then repeated the analysis by birth year and charted the trends in seasonality in birthweight.

Results

When we pooled all years, babies born in winter were the heaviest, while those born in summer the lightest; the difference in birthweight was about 11 g. When we analyzed the data by birth year, however, seasonality almost disappeared by the end of the period.

Conclusions

Whatever causes the seasonality has lost its influence in Korea. Replication studies can determine whether other countries exhibit the same patterns. Am. J. Hum. Biol. 28:767–773, 2016. © 2016Wiley Periodicals, Inc.
Mild C−H/C−C Activation by Z‐Selective Cobalt Catalysis
Authors: Zell Daniel , Bu Qingqing , Feldt Milica , Ackermann Lutz
Published: May 2016

Cationic cobalt complexes enable unprecedented cobalt‐catalyzed C−H/C−C functionalizations with unique selectivity features. The versatile cobalt catalyst proved broadly applicable, enabled efficient C−H/C−C cleavage at room temperature, and delivered Z‐alkenes with excellent diastereocontrol.
N−N Bond Forming Reductive Elimination via a Mixed‐Valent Nickel(II)–Nickel(III) Intermediate
Authors: Diccianni Justin B. , Hu Chunhua , Diao Tianning
Published: May 2016

Natural products containing N–N bonds exhibit important biological activity. Current methods for constructing N−N bonds have limited scope. An advanced understanding of the fundamental N−N bond formation/cleavage processes occurring at the transition‐metal center would facilitate the development of catalytic reactions. Herein we present an N−N bond‐forming reductive elimination, which proceeds via a mixed‐valent NiII–NiIII intermediate with a Ni–Ni bond order of zero. The discrete NiII–NiIII oxidation states contrast with the cationic dimeric Ni analogue, in which both Ni centers are equivalent with an oxidation state of 2.5. The electronic structures of these mixed‐valent complexes have implications for the fundamental understanding of metal–metal bonding interactions.
Palladium(0)‐Catalyzed Intermolecular Carbocyclization of (1,n)‐Diynes and Bromophenols: An Efficient Route to Tricyclic Scaffolds
Authors: Bai Lu , Yuan Yini , Liu Jingjing , Wu Jiaoyu , Han Lingbo , Wang Hui , Wang Yaoyu , Luan Xinjun
Published: May 2016

A novel palladium(0)‐catalyzed dearomative cyclization reaction of bromophenols with (1,n)‐diynes has been developed for building two new types of tricyclic architectures containing a quaternary carbon center. This method employs inexpensive bromophenols, and easily accessible tethered diynes. It exhibits a broad substrate scope and tolerates various functional groups. Preliminary results with commercially available chiral ligands indicate that enantioselective variants are feasible for both cyclization processes.
X‐ray Excited Optical Fluorescence and Diffraction Imaging of Reactivity and Crystallinity in a Zeolite Crystal: Crystallography and Molecular Spectroscopy in One
Authors: Ristanović Zoran , Hofmann Jan P. , Richard Marie‐Ingrid , Jiang Tao , Chahine Gilbert A. , Schülli Tobias U. , Meirer Florian , Weckhuysen Bert M.
Published: May 2016

Structure–activity relationships in heterogeneous catalysis are challenging to be measured on a single‐particle level. For the first time, one X‐ray beam is used to determine the crystallographic structure and reactivity of a single zeolite crystal. The method generates μm‐resolved X‐ray diffraction (μ‐XRD) and X‐ray excited optical fluorescence (μ‐XEOF) maps of the crystallinity and Brønsted reactivity of a zeolite crystal previously reacted with a styrene probe molecule. The local gradients in chemical reactivity (derived from μ‐XEOF) were correlated with local crystallinity and framework Al content, determined by μ‐XRD. Two distinctly different types of fluorescent species formed selectively, depending on the local zeolite crystallinity. The results illustrate the potential of this approach to resolve the crystallographic structure of a porous material and its reactivity in one experiment via X‐ray induced fluorescence of organic molecules formed at the reactive centers.
Singlet Oxygen Formation during the Charging Process of an Aprotic Lithium–Oxygen Battery
Authors: Wandt Johannes , Jakes Peter , Granwehr Josef , Gasteiger Hubert A. , Eichel Rüdiger‐A.
Published: May 2016

Aprotic lithium–oxygen (Li–O2) batteries have attracted considerable attention in recent years owing to their outstanding theoretical energy density. A major challenge is their poor reversibility caused by degradation reactions, which mainly occur during battery charge and are still poorly understood. Herein, we show that singlet oxygen (1Δg) is formed upon Li2O2 oxidation at potentials above 3.5 V. Singlet oxygen was detected through a reaction with a spin trap to form a stable radical that was observed by time‐ and voltage‐resolved in operando EPR spectroscopy in a purpose‐built spectroelectrochemical cell. According to our estimate, a lower limit of approximately 0.5 % of the evolved oxygen is singlet oxygen. The occurrence of highly reactive singlet oxygen might be the long‐overlooked missing link in the understanding of the electrolyte degradation and carbon corrosion reactions that occur during the charging of Li–O2 cells.
Coupling of the Decarboxylation of 2‐Cyano‐2‐phenylpropanoic Acid to Large‐Amplitude Motions: A Convenient Fuel for an Acid–Base‐Operated Molecular Switch
Authors: Berrocal José Augusto , Biagini Chiara , Mandolini Luigi , Di Stefano Stefano
Published: May 2016

The decarboxylation of 2‐cyano‐2‐phenylpropanoic acid is fast and quantitative when carried out in the presence of 1 molar equivalent of a [2]catenane composed of two identical macrocycles incorporating a 1,10‐phenanthroline unit in their backbone. When decarboxylation is over, all of the catenane molecules have experienced large‐amplitude motions from neutral to protonated catenane, and back again to the neutral form, so that they are ready to perform another cycle. This study provides the first example of the cyclic operation of a molecular switch at the sole expenses of the energy supplied by the substrate undergoing chemical transformation, without recourse to additional stimuli.
Microintumescent mechanism of flame‐retardant water‐based chitosan–ammonium polyphosphate multilayer nanocoating on cotton fabric
Authors: Jimenez Maude , Guin Tyler , Bellayer Severine , Dupretz Renaud , Bourbigot Serge , Grunlan Jaime C.
Published: May 2016

Layer‐by‐layer (LbL) assembly of nanocoatings on fabric substrates has been very successful in terms of reduction of flammability. In particular, an LbL system comprised ammonium polyphosphate as the polyanion and chitosan as the polycation, applied to cotton fabric, dramatically reduced cotton flammability. At this point, the fire‐retardant (FR) mechanism of action of this system has never been fully elucidated. Sonicated and nonsonicated coated cotton fabrics were evaluated using a vertical flame test and mass loss calorimeter. Coating morphology was investigated before and after burning. Thermal analyses and chemical analyses in the condensed phase (and in the gas phase) were conducted to reveal the FR mechanism of action. At the cotton surface, a combination of both condensed (formation of aromatic char) and gas phase (release of water and highly flammable gases) mechanisms impart the FR behavior, promoting a kind of “microintumescence” phenomenon. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43783.
Structural studies of the protein endostatin in fusion with BAX BH3 death domain, a hybrid that presents enhanced antitumoral activity
Authors: Chura‐Chambi Rosa Maria , Arcuri Helen Andrade , Lino Felipe , Versati Natan , Palma Mario Sergio , Favaro Denize C. , Morganti Ligia
Published: May 2016

Endostatin (ES) is an antiangiogenic protein that exhibits antitumor activity in animal models. However, the activity observed in animals was not observed in human clinical trials. ES‐BAX is a fusion protein composed of two functional domains: ES, which presents specificity and is internalized by activated endothelial cells and the proapoptotic BH3 domain of the protein BAX, a peptide inductor of cellular death when internalized. We have previously shown (Chura‐Chambi et al., Cell Death Dis, 5, e1371, 2014) that ES‐BAX presents improved antitumor activity in relation to wild‐type ES. Secondary and tertiary structures of ES‐BAX are similar to ES, as indicated by homology‐modeling studies and molecular dynamics simulations. Tryptophan intrinsic fluorescence and circular dichroism spectroscopy corroborate these data. 15N HSQC NMR indicates that ES‐BAX is structured, but some ES residues have suffered chemical shift perturbations, suggesting that the BH3 peptide interacts with some parts of the ES protein. ES and ES‐BAX present similar stability to thermal denaturation. The production of stable hybrid proteins can be a new approach to the development of therapeutic agents presenting specificity for tumoral endothelium and improved antitumor effect.
Activation of the motor protein upon attachment: Anchors weigh in on cytoplasmic dynein regulation
Authors: Ananthanarayanan Vaishnavi
Published: May 2016

Cytoplasmic dynein is the major minus‐end‐directed motor protein in eukaryotes, and has functions ranging from organelle and vesicle transport to spindle positioning and orientation. The mode of regulation of dynein in the cell remains elusive, but a tantalising possibility is that dynein is maintained in an inhibited, non‐motile state until bound to cargo. In vivo, stable attachment of dynein to the cell membrane via anchor proteins enables dynein to produce force by pulling on microtubules and serves to organise the nuclear material. Anchor proteins of dynein assume diverse structures and functions and differ in their interaction with the membrane. In yeast, the anchor protein has come to the fore as one of the key mediators of dynein activity. In other systems, much is yet to be discovered about the anchors, but future work in this area will prove invaluable in understanding dynein regulation in the cell.
Improved model of hydrated calcium ion for molecular dynamics simulations using classical biomolecular force fields
Authors: Yoo Jejoong , Wilson James , Aksimentiev Aleksei
Published: May 2016

Calcium ions (Ca2+) play key roles in various fundamental biological processes such as cell signaling and brain function. Molecular dynamics (MD) simulations have been used to study such interactions, however, the accuracy of the Ca2+ models provided by the standard MD force fields has not been rigorously tested. Here, we assess the performance of the Ca2+ models from the most popular classical force fields AMBER and CHARMM by computing the osmotic pressure of model compounds and the free energy of DNA–DNA interactions. In the simulations performed using the two standard models, Ca2+ ions are seen to form artificial clusters with chloride, acetate, and phosphate species; the osmotic pressure of CaAc2 and CaCl2 solutions is a small fraction of the experimental values for both force fields. Using the standard parameterization of Ca2+ ions in the simulations of Ca2+‐mediated DNA–DNA interactions leads to qualitatively wrong outcomes: both AMBER and CHARMM simulations suggest strong inter‐DNA attraction whereas, in experiment, DNA molecules repel one another. The artificial attraction of Ca2+ to DNA phosphate is strong enough to affect the direction of the electric field‐driven translocation of DNA through a solid‐state nanopore. To address these shortcomings of the standard Ca2+ model, we introduce a custom model of a hydrated Ca2+ ion and show that using our model brings the results of the above MD simulations in quantitative agreement with experiment. Our improved model of Ca2+ can be readily applied to MD simulations of various biomolecular systems, including nucleic acids, proteins and lipid bilayer membranes. © 2016 Wiley Periodicals, Inc. Biopolymers 105: 752–763, 2016.
Geometry and expression enhance enrichment of functional yeast‐displayed ligands via cell panning
Authors: Stern Lawrence A. , Schrack Ian A. , Johnson Sadie M. , Deshpande Aakash , Bennett Nathaniel R. , Harasymiw Lauren A. , Gardner Melissa K. , Hackel Benjamin J.
Published: May 2016

Yeast surface display has proven to be an effective tool in the discovery and evolution of ligands with new or improved binding activity. Selections for binding activity are generally carried out using immobilized or fluorescently labeled soluble domains of target molecules such as recombinant ectodomain fragments. While this method typically provides ligands with high affinity and specificity for the soluble molecular target, translation to binding true membrane‐bound cellular target is commonly problematic. Direct selections against mammalian cell surfaces can be carried out either exclusively or in combination with soluble target‐based selections to further direct towards ligands for genuine cellular target. Using a series of fibronectin domain, affibody, and Gp2 ligands and human cell lines expressing a range of their targets, epidermal growth factor receptor and carcinoembryonic antigen, this study quantitatively identifies the elements that dictate ligand enrichment and yield. Most notably, extended flexible linkers between ligand and yeast enhance enrichment ratios from 1.4 ± 0.8 to 62 ± 57 for a low‐affinity (>600 nM) binder on cells with high target expression and from 14 ± 13 to 74 ± 25 for a high‐affinity binder (2 nM) on cells with medium valency. Inversion of the yeast display fusion from C‐terminal display to N‐terminal display still enables enrichment albeit with 40–97% reduced efficacy. Collectively, this study further enlightens the conditions—while highlighting new approaches—that yield successful enrichment of yeast‐displayed binding ligands via panning on mammalian cells. Biotechnol. Bioeng. 2016;113: 2328–2341. © 2016 Wiley Periodicals, Inc.
Immunohistochemical and transcriptome analyses indicate complex breakdown of axonal transport mechanisms in canine distemper leukoencephalitis
Authors: Spitzbarth Ingo , Lempp Charlotte , Kegler Kristel , Ulrich Reiner , Kalkuhl Arno , Deschl Ulrich , Baumgärtner Wolfgang , Seehusen Frauke
Published: May 2016

Introduction

CDV‐DL (Canine distemper virus‐induced demyelinating leukoencephalitis) represents a spontaneously occurring animal model for demyelinating disorders. Axonopathy represents a key pathomechanism in this disease; however, its underlying pathogenesis has not been addressed in detail so far. This study aimed at the characterization of axonal cytoskeletal, transport, and potential regenerative changes with a parallel focus upon Schwann cell remyelination.

Methods

Immunohistochemistry of canine cerebellar tissue as well as a comparative analysis of genes from an independent microarray study were performed.

Results

Increased axonal immunoreactivity for nonphosphorylated neurofilament was followed by loss of cytoskeletal and motor proteins. Interestingly, a subset of genes encoding for neurofilament subunits and motor proteins was up‐regulated in the chronic stage compared to dogs with subacute CDV‐DL. However, immunohistochemically, hints for axonal regeneration were restricted to up‐regulated axonal positivity of hypoxia‐inducible factor 1 alpha, while growth‐associated protein 43, erythropoietin and its receptor were not or even down‐regulated. Periaxin‐positive structures, indicative of Schwann cell remyelination, were only detected within few advanced lesions.

Conclusions

The present findings demonstrate a complex sequence of axonal cytoskeletal breakdown mechanisms. Moreover, though sparse, this is the first report of Schwann cell remyelination in CDV‐DL. Facilitation of these very limited endogenous regenerative responses represents an important topic for future research.
The treatment of chronic depression with cognitive behavioral analysis system of psychotherapy: a systematic review and meta‐analysis of randomized‐controlled clinical trials
Authors: Negt Philip , Brakemeier Eva‐Lotta , Michalak Johannes , Winter Lotta , Bleich Stefan , Kahl Kai G.
Published: May 2016

Background

Chronic depression is a severe and disabling condition. Compared to an episodic course, chronic depression has been shown to be less responsive to psychopharmacological and psychological treatments. The cognitive behavioral analysis system of psychotherapy (CBASP) has been developed as a specific psychotherapy for chronic depression. However, conflicting results concerning its efficacy have been reported in randomized‐controlled trials (RCT). Therefore, we aimed at examining the efficacy of CBASP using meta‐analytical methods.

Methods

Randomized‐controlled trials assessing the efficacy of CBASP in chronic depression were identified by searching electronic databases (PsycINFO, PubMed, Scopus, Cochrane Central Register of Controlled Trials) and by manual searches (citation search, contacting experts). Searching period was restricted from the first available entry to October 2015. Identified studies were systematically reviewed. The standardized mean difference Hedges' g was calculated from posttreatment and mean change scores. The random‐effects model was used to compute combined overall effect sizes. A risk of publication bias was addressed using fail‐safe N calculations and trim‐and‐fill analysis.

Results

Six studies comprising 1.510 patients met our inclusion criteria. The combined overall effect sizes of CBASP versus other treatments or treatment as usual (TAU) pointed to a significant effect of small magnitude (g = 0.34–0.44, P < 0.01). In particular, CBASP revealed moderate‐to‐high effect sizes when compared to TAU and interpersonal psychotherapy (g = 0.64–0.75, P < 0.05), and showed similar effects when compared to antidepressant medication (ADM) (g = −0.29 to 0.02, ns). The combination of CBASP and ADM yielded benefits over antidepressant monotherapy (g = 0.49–0.59, P < 0.05).

Limitations

The small number of included studies, a certain degree of heterogeneity among the study designs and comparison conditions, and insufficient data evaluating long‐term effects of CBASP restrict generalizability yet.

Conclusions

We conclude that there is supporting evidence that CBASP is effective in the treatment of chronic depression.
VirtualMeshLab: Virtual laboratory for teaching Wireless Mesh Network
Authors: Jovanović Nenad , Zakić Aleksandar , Veinović Mladen
Published: May 2016

This paper analyzed WMN routing protocols, modeling, and implementation of software environment for emulation of nodes in WMN network in education area. Use of emulators would enable students and teachers to research performance of the WMN (Wireless Mesh Network) protocol. This concept would contribute to an easier understanding of the WMN protocol related to different algorithms for transfer of routing traffic between nodes. © 2016 Wiley Periodicals, Inc. Comput Appl Eng Educ 24:567–576, 2016; View this article online at wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.21732
Energized soft tissue dissection in surgery simulation
Authors: Qian Kun , Jiang Tao , Wang Meili , Yang Xiaosong , Zhang Jianjun
Published: May 2016

With the development of virtual reality technology, surgery simulation has become an effective way to train the operation skills for surgeons. Soft tissue dissection, as one of the most frequently performed operations in surgery, is indispensable to an immersive and high‐fidelity surgery simulator. Energized dissection tools are much more commonly used than the traditional sharp scalpels for patient safety. Unfortunately, the interaction of such tools with the soft tissues has been largely ignored in the research of surgical simulators. In this paper, we have proposed an energized soft tissue dissection model. We categorize the soft tissues into three types (fascia, membrane, and fat) and simulate their physical property accordingly. The dissection algorithm we propose employs an edge‐based structure, which offers an effective mechanism for the generation of incisions dissected with energized tools. The mesh topology will not be changed when it is dissected by an energized tool, rather it is controlled by the heat transfer model. Our dissection method is highly compatible and efficient to the physically based simulation resolved by a pre‐factorized linear system. Copyright © 2016 John Wiley & Sons, Ltd.
A case of anomalous left coronary artery obstruction caused by lotus valve implantation
Authors: Mizote Isamu , Conradi Lenard , Schäfer Ulrich
Published: May 2016

Trans‐catheter aortic valve implantation (TAVI) in patients with high surgical risk is an alternative therapeutic option for severe aortic stenosis. Although second generation TAVI devices are available now, this therapy still cannot overcome all serious complications. Among them, coronary obstruction is a life threatening complication, however, there is no report concerning the complication in patients with anomalous coronary arteries. Here we present a case with coronary obstruction of an anomalous left main coronary that occurred after implantation of the mechanical expanding Lotus valve (Boston Scientific Inc.). © 2016 Wiley Periodicals, Inc.