bluuebunny/crossref_metadata_2025_split huggingface dataset:
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

AbstractLarge 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

AbstractWe 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

AbstractAs 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.
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

AbstractAn 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.magnified image
Disappearing seasonality in birthweight
Authors: Sohn Kitae 
Published: May 2016

ObjectivesWe estimated seasonality in birthweight over time and assessed how seasonality changed.MethodsWe 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.ResultsWhen 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.ConclusionsWhatever 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

AbstractCationic 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

AbstractNatural 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

AbstractA 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

AbstractStructure–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

AbstractAprotic 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

AbstractThe 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

ABSTRACTLayer‐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

AbstractEndostatin (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.
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

ABSTRACTCalcium 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

ABSTRACTYeast 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

AbstractIntroductionCDV‐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.MethodsImmunohistochemistry of canine cerebellar tissue as well as a comparative analysis of genes from an independent microarray study were performed.ResultsIncreased 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.ConclusionsThe 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

AbstractBackgroundChronic 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.MethodsRandomized‐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.ResultsSix 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).LimitationsThe 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.ConclusionsWe conclude that there is supporting evidence that CBASP is effective in the treatment of chronic depression.