bluuebunny/crossref_metadata_2025 huggingface dataset:
Preparation of Single‐Cell RNA‐Seq Libraries for Next Generation Sequencing
Authors: Trombetta John J. , Gennert David , Lu Diana , Satija Rahul , Shalek Alex K. , Regev Aviv
Published: July 2014

For the past several decades, due to technical limitations, the field of transcriptomics has focused on population‐level measurements that can mask significant differences between individual cells. With the advent of single‐cell RNA‐Seq, it is now possible to profile the responses of individual cells at unprecedented depth and thereby uncover, transcriptome‐wide, the heterogeneity that exists within these populations. This unit describes a method that merges several important technologies to produce, in high‐throughput, single‐cell RNA‐Seq libraries. Complementary DNA (cDNA) is made from full‐length mRNA transcripts using a reverse transcriptase that has terminal transferase activity. This, when combined with a second “template‐switch” primer, allows for cDNAs to be constructed that have two universal priming sequences. Following preamplification from these common sequences, Nextera XT is used to prepare a pool of 96 uniquely indexed samples ready for Illumina sequencing. Curr. Protoc. Mol. Biol. 107:4.22.1‐4.22.17. © 2014 by John Wiley & Sons, Inc.
The UCSC Genome Browser: What Every Molecular Biologist Should Know
Authors: Mangan Mary E. , Williams Jennifer M. , Kuhn Robert M. , Lathe Warren C.
Published: July 2014

Electronic data resources can enable molecular biologists to quickly get information from around the world that a decade ago would have been buried in papers scattered throughout the library. The ability to access, query, and display these data makes benchwork much more efficient and drives new discoveries. Increasingly, mastery of software resources and corresponding data repositories is required to fully explore the volume of data generated in biomedical and agricultural research, because only small amounts of data are actually found in traditional publications. The UCSC Genome Browser provides a wealth of data and tools that advance understanding of genomic context for many species, enable detailed analysis of data, and provide the ability to interrogate regions of interest across disparate data sets from a wide variety of sources. Researchers can also supplement the standard display with their own data to query and share this with others. Effective use of these resources has become crucial to biological research today, and this unit describes some practical applications of the UCSC Genome Browser. Curr. Protoc. Mol. Biol. 107:19.9.1‐19.9.36. © 2014 by John Wiley & Sons, Inc.
Quantitative Analysis of Protein‐Protein Interactions by Split Firefly Luciferase Complementation in Plant Protoplasts
Authors: Li Jian‐Feng , Zhang Dandan
Published: July 2014

This unit describes the split firefly luciferase complementation (SFLC) assay, a high‐throughput quantitative method that can be used to investigate protein‐protein interactions (PPIs) in plant mesophyll protoplasts. In SFLC, the two proteins to be tested for interaction are expressed as chimeric proteins, each fused to a different half of firefly luciferase. If the proteins interact, a functional luciferase can be transitorily reconstituted, and is detected using the cell‐permeable substrate D‐luciferin. An advantage of the SFLC assay is that dynamic changes in PPIs in a cell can be detected in a near real‐time manner. Another advantage is the unusually high DNA co‐transfection and protein expression efficiencies that can be achieved in plant protoplasts, thereby enhancing the throughput of the method. Curr. Protoc. Mol. Biol. 107:20.9.1‐20.9.8. © 2014 by John Wiley & Sons, Inc.
Imaging Autophagy
Authors: Karanasios Eleftherios , Stapleton Eloise , Manifava Maria , Ktistakis Nicholas T.
Published: July 2014

Autophagy is a membrane‐trafficking pathway activated to deliver cytosolic material for degradation to lysosomes through a novel membrane compartment, the autophagosome. Fluorescence microscopy is the most common method used to visualize proteins inside cells, and it is widely used in the autophagy field. To distinguish it from the cellular background, the protein of interest (POI) is either fused with a genetically encoded fluorescent protein or stained with an antibody that is conjugated to an inorganic fluorescent compound. Genetic tagging of the POI allows its visualization in live cells, while immunostaining of the POI requires the fixation of cells and the permeabilization of cell membranes. Here we describe detailed protocols on how to visualize autophagy dynamics using fluorescence microscopy in live and fixed cells. We discuss the critical parameters of each technique, their advantages, and why the robustness is increased when they are used in tandem. Curr. Protoc. Cytom. 69:12.34.1‐12.34.16. © 2014 by John Wiley & Sons, Inc.
Forecast cooling of the Atlantic subpolar gyre and associated impacts
Authors: Hermanson Leon , Eade Rosie , Robinson Niall H. , Dunstone Nick J. , Andrews Martin B. , Knight Jeff R. , Scaife Adam A. , Smith Doug M.
Published: July 2014

Decadal variability in the North Atlantic and its subpolar gyre (SPG) has been shown to be predictable in climate models initialized with the concurrent ocean state. Numerous impacts over ocean and land have also been identified. Here we use three versions of the Met Office Decadal Prediction System to provide a multimodel ensemble forecast of the SPG and related impacts. The recent cooling trend in the SPG is predicted to continue in the next 5 years due to a decrease in the SPG heat convergence related to a slowdown of the Atlantic Meridional Overturning Circulation. We present evidence that the ensemble forecast is able to skilfully predict these quantities over recent decades. We also investigate the ability of the forecast to predict impacts on surface temperature, pressure, precipitation, and Atlantic tropical storms and compare the forecast to recent boreal summer climate.
Assessment of the validity of Stokes and Reynolds equations for fluid flow through a rough‐walled fracture with flow imaging
Authors: Lee Seung Hyun , Lee Kang‐Kun , Yeo In Wook
Published: July 2014

Understanding fluid flow through a rough‐walled fracture is important in many problems such as petroleum and geothermal reservoir exploitation, geological storage of CO2, and sitting of radioactive waste repositories. In order to advance the understanding of fracture flow, we conducted the first direct measurement of flow velocity across rough‐walled fractures at Reynolds number (Re) of 0.014 to 0.086. The results were used for an order of magnitude analysis to evaluate assumptions underlying the Stokes and the Reynolds equations, which are derived from simplifying the Navier–Stokes equations. Even at very rough subregions, viscous forces were at least 2 orders of magnitude greater than inertial forces, indicating that the Stokes equations are valid for Re < 0.1. However, the assumption made in the derivation of the Reynolds equation that ∂2ux/∂z2 is dominant over other viscous terms was not satisfied even at moderate roughness for Re < 0.1. The Reynolds equation overestimated flow rate.
Seismic evidence for rotating mantle flow around subducting slab edge associated with oceanic microplate capture
Authors: Mosher Stephen G. , Audet Pascal , L'Heureux Ivan
Published: July 2014

Tectonic plate reorganization at a subduction zone edge is a fundamental process that controls oceanic plate fragmentation and capture. However, the various factors responsible for these processes remain elusive. We characterize seismic anisotropy of the upper mantle in the Explorer region at the northern limit of the Cascadia subduction zone from teleseismic shear wave splitting measurements. Our results show that the mantle flow field beneath the Explorer slab is rotating anticlockwise from the convergence‐parallel motion between the Juan de Fuca and the North America plates, re‐aligning itself with the transcurrent motion between the Pacific and North America plates. We propose that oceanic microplate fragmentation is driven by slab stretching, thus reorganizing the mantle flow around the slab edge and further contributing to slab weakening and increase in buoyancy, eventually leading to cessation of subduction and microplate capture.
Shock compression of Fe‐Ni‐Si system to 280 GPa: Implications for the composition of the Earth's outer core
Authors: Zhang Youjun , Sekine Toshimori , He Hongliang , Yu Yin , Liu Fusheng , Zhang Mingjian
Published: July 2014

The shock Hugoniot of an Fe‐9 wt %Ni‐10 wt %Si system as a model of the Earth's core has been measured up to ~280 GPa using a two‐stage light‐gas gun. The samples had an average density of 6.853 (±0.036) g/cm3. The relationship between shock velocity (Us) and particle velocity (up) can be described by Us (km/s) = 3.95 (±0.15) + 1.53 (±0.05) up (km/s). The calculated Hugoniot temperatures and the melting curve indicate that the model composition melts above a shock pressure of ~168 GPa, which is significantly lower than the shock‐melting pressure of iron (~225 GPa). A comparison of the pressure‐density (P‐ρ) profiles between the model composition and the preliminary reference Earth model gives a silicon content close to 10 wt %, necessary to compensate the density deficit in the Earth's outer core from seismological observations, if silicon is present as a major light element in the Fe‐Ni core system.
Signatures of electron Landau resonant interactions with chorus waves from THEMIS observations
Authors: Min Kyungguk , Liu Kaijun , Li Wen
Published: July 2014

Simultaneous observations of electron phase space density (PSD) and chorus waves for more than 4 years by the Time History of Events and Macroscale Interactions during Substorms (THEMIS) are analyzed to identify signatures of the electron Landau resonant interactions with chorus waves in the radiation belts. Chorus waves play an important role in the radiation belt dynamics by effectively interacting with electrons. Landau resonant interactions arise when the waves are not exactly parallel propagating. Such interactions lead to “plateaus” along v∥ in the electron velocity distributions, where v∥is the parallel (with respect to the background magnetic field) component of the electron velocity. The analyzed electron PSDs often demonstrate local minima in the derivative of the velocity distribution along v∥ near the Landau resonant velocity calculated from the simultaneous in situ wave observations. These minima are, therefore, direct signatures and solid evidence of the electron Landau resonant interactions with chorus waves.
Quantification of land‐surface heterogeneity via entropy spectrum method
Authors: Hintz Michael , Lennartz‐Sassinek Sabine , Liu Shaofeng , Shao Yaping
Published: July 2014

Surface heterogeneity is present on every scale of the land surface. However, its role in the exchange processes between the land surface and the atmosphere is still an open question. In this paper, we present a method, which combines the decomposition of land‐surface heterogeneity into fine and coarse structures with the quantification of the structures using information entropy. The resulting entropy spectrum allows the assessment of the amount of information on different scales. The wavelet transformation and the most frequent‐value method are used as filters for the decomposition. We also derive an analytical formula for estimation of the probability density function (PDF) of filtered random surface parameters using the most frequent‐value method. By analyzing the entropy spectrum of synthetic data, we derive rules for the interpretation of the entropy spectrum. We then apply them to real data and appraise, which scale of the heterogeneity is important for land surface and atmosphere interactions.
Effects of biomass burning on climate, accounting for heat and moisture fluxes, black and brown carbon, and cloud absorption effects
Authors: Jacobson Mark Z.
Published: July 2014

This paper examines the effects on climate and air pollution of open biomass burning (BB) when heat and moisture fluxes, gases and aerosols (including black and brown carbon, tar balls, and reflective particles), cloud absorption effects (CAEs) I and II, and aerosol semidirect and indirect effects on clouds are treated. It also examines the climate impacts of most anthropogenic heat and moisture fluxes (AHFs and AMFs). Transient 20 year simulations indicate BB may cause a net global warming of ~0.4 K because CAE I (~32% of BB warming), CAE II, semidirect effects, AHFs (~7%), AMFs, and aerosol absorption outweigh direct aerosol cooling and indirect effects, contrary to previous BB studies that did not treat CAEs, AHFs, AMFs, or brown carbon. Some BB warming can be understood in terms of the anticorrelation between instantaneous direct radiative forcing (DRF) changes and surface temperature changes in clouds containing absorbing aerosols. BB may cause ~250,000 (73,000–435,000) premature mortalities/yr, with >90% from particles. AHFs from all sources and AMFs + AHFs from power plants and electricity use each may cause a statistically significant +0.03 K global warming. Solar plus thermal‐IR DRFs were +0.033 (+0.027) W/m2 for all AHFs globally without (with) evaporating cooling water, +0.009 W/m2 for AMFs globally, +0.52 W/m2 (94.3% solar) for all‐source BC outside of clouds plus interstitially between cloud drops at the cloud relative humidity, and +0.06 W/m2 (99.7% solar) for BC inclusions in cloud hydrometeor particles. Modeled post‐1850 biomass, biofuel, and fossil fuel burning, AHFs, AMFs, and urban surfaces accounted for most observed global warming.
Trait aggression in two representative U.S. surveys: Testing the generalizability of college samples
Authors: Kalmoe Nathan P.
Published: July 2014

Aggression research often relies upon convenient samples with unknown generalizability to populations of interest, potentially threatening external validity. This article details the measurement properties of the Buss‐Perry Aggression Questionnaire Short Form (BPAQ‐SF) and its subscales in two nationally representative U.S. samples (N = 924) and a concurrent study with U.S. college students (N = 384). The results provide useful benchmarks for generalizing BPAQ‐SF results from convenient samples to U.S. adults, including distributions, reliability, and factor structure. The results also confirm basic relationships between trait aggression and key social and demographic variables such as sex, age, and socioeconomic status while establishing convergent validity with violent political attitudes. Results from the national studies closely align with those from the student sample, providing reasonable support for generalizing trait aggression elements to U.S. adults. Aggr. Behav. Aggr. Behav. 42:171–188, 2015. © 2014 Wiley Periodicals, Inc.
Adaptive fuzzy backstepping dynamic surface control for a class of MIMO nonlinear systems with input delays and state time‐varying delays
Authors: Li Junmin , Yue Hongyun
Published: June 2014

In this paper, an adaptive fuzzy backstepping dynamic surface control (DSC) approach is developed for a class of MIMO nonlinear systems with input delays and state time‐varying delays. The unknown continuous nonlinear functions are expressed as the linearly parameterized form by using the fuzzy logic systems, and then, by combining the backstepping technique, the appropriate Lyapunov–Krasovskii functionals, and the ‘minimal learning parameters’ algorithms with the DSC approach, the adaptive fuzzy tracking controller is designed. Our development is able to eliminate the problem of ‘explosion of complexity’ inherent in the existing backstepping‐based methods. It is proven that the proposed design method can guarantee that all the signals in the closed‐loop system are bounded and the tracking error is smaller than a prescribed error bound. Finally, simulation results are provided to show the effectiveness of the proposed approach. Copyright © 2014 John Wiley & Sons, Ltd.
Microstructure and Mechanical Properties of Laser Beam Welded Joints between Fine‐Grained and Standard Ti‐6Al‐4V Sheets Subjected to Superplastic Forming
Authors: Kashaev Nikolai , Ventzke Volker , Horstmann Manfred , Riekehr Stefan , Yashin Grigory , Stutz Lennart , Beck Werner
Published: July 2014

A fine‐grained Ti–6Al–4V sheet that has been developed for superplastic forming (SPF) was joined to a standard Ti–6Al–4V sheet using a Nd:YAG laser and alloy compatible filler wire. The microstructural and mechanical properties of dissimilar laser beam welded butt joints were investigated to determine their behavior under static and cyclic loads and for SPF. The filler wire affected the heat input and reduced the increase in the hardness within the fusion zone compared to that in the heat‐affected zone. The laser beam welding process activated local microstructure transformations that were associated with local changes in the microtexture, the β content, and the grain size. The mechanical behavior of a dissimilar laser beam welded butt joint under a static tensile load was controlled by the properties of the standard Ti–6Al–4V sheet. Laser beam welded specimens showed inferior fatigue behavior. Removing the geometrical notches did not significantly improve the fatigue behavior because local microstructural and microtextural changes still created metallurgical notches. SPF was observed in the fine‐grained Ti–6Al–4V sheet without crack formation in the heat‐affected zones or the fusion zone. The welding seam of the dissimilar fine‐grained‐standard butt joint was resistant to SPF.
Ni/CaO‐Al2O3 bifunctional catalysts for sorption‐enhanced steam methane reforming
Authors: Xu Pan , Zhou Zhiming , Zhao Changjun , Cheng Zhenmin
Published: July 2014

Ni/CaO‐Al2O3 bifunctional catalysts with different CaO/Al2O3 mass ratios were prepared by a sol–gel method and applied to the sorption‐enhanced steam methane reforming (SESMR) process. The catalysts consisted mainly of Ni, CaO and Ca5Al6O14. The catalyst structure depended strongly on the CaO/Al2O3 mass ratio, which in turn affected the CO2 capture capacity and the catalytic performance. The catalyst with a CaO/Al2O3 mass ratio of 6 or 8 possessed the highest surface area, the smallest Ni particle size, and the most uniform distribution of Ni, CaO, and Ca5Al6O14. During 50 consecutive SESMR cycles at a steam/methane molar ratio of 2, the thermodynamic equilibrium was achieved using the catalyst with a CaO/Al2O3 mass ratio of 6, and H2 concentration profiles for all the 50 cycles almost overlapped, indicating excellent activity and stability of the catalyst. Moreover, a high CO2 capture capacity of 0.44
was maintained after 50 carbonation–calcination cycles, being almost equal to its initial capacity (0.45
). © 2014 American Institute of Chemical Engineers AIChE J, 60: 3547–3556, 2014
Polypropylene in the melt state as a medium for in situ synthesis of copper nanoparticles
Authors: Palza Humberto , Delgado Katherine , Moraga Natalia , Wang Molina Sing‐Hi
Published: July 2014

Copper nanoparticles were in situ synthesized into a polypropylene matrix in the melt state. Three different routes were studied depending on the method used for the addition of a copper salt: (1) directly as powder; (2) dissolved in water; and (3) dissolved in water with a reducing agent. The first route produced microcrystal, whereas the second route allowed the synthesis of nanoparticles (∼20 nm) homogeneously dispersed in the polymer matrix. By changing the concentration of the reducing agent in the copper solution (third route), a control of the copper structure in the polymer was possible and salt‐based or metal/oxide nanoparticles could be obtained. All these composites were able to release copper ions depending on the characteristic of the nanoparticles present in the polymer. Noteworthy, the resulting polymer/copper composites displayed strong antimicrobial behavior against Escherichia coli. © 2014 American Institute of Chemical Engineers AIChE J, 60: 3406–3411, 2014
Growth charts for individuals with Rubinstein–Taybi syndrome
Authors: Beets Lex , Rodríguez‐Fonseca Cristina , Hennekam Raoul C.
Published: July 2014

Rubinstein–Taybi syndrome (RSTS) is an autosomal dominant disorder characterized by variable degrees of intellectual disability, an unusual face, distal limb anomalies including broad thumbs and broad halluces, a large group of variable other major and minor anomalies, and decreased somatic growth. The aim of the present study was to construct up‐to‐date growth charts specific for infants and children with RSTS. We collected retrospective growth data of 92 RSTS individuals of different ancestries. Data were corrected for secular trends and population of origin to the Dutch growth charts of 2009. On average, 17.9 measurements were available per individual. Height, weight and body mass index (BMI) references for males and females were constructed using the lambda, mu, sigma method. RSTS individuals had normal birth weight and length. Mean final heights were 162.6 cm [−2.99 standard deviation score (SDS)] for males and 151.0 cm [−3.01 SDS] for females. BMI SDS compared to the general Dutch population were −0.06 and 1.40 SDS for males and females, respectively. Head circumference SDS compared to the general Dutch population was −1.89 SDS for males and −2.71 SDS for females. This is the first study to publish growth charts using only molecularly proven RSTS individuals. These syndrome‐specific growth charts can be used in managing problems related to growth in RSTS individuals. © 2014 Wiley Periodicals, Inc.
Glutamatergic copy number variants and their role in attention‐deficit/hyperactivity disorder
Authors: Akutagava‐Martins Glaucia Chiyoko , Salatino‐Oliveira Angelica , Genro Julia P. , Contini Verônica , Polanczyk Guilherme , Zeni Cristian , Chazan Rodrigo , Kieling Christian , Anselmi Luciana , Menezes Ana M. B. , Grevet Eugênio H. , Bau Claiton H. D. , Rohde Luis A. , Hutz Mara H.
Published: July 2014

Attention‐Deficit/Hyperactivity Disorder (ADHD) is a common neurodevelopmental disorder with a strong genetic component. The glutamate metabotropic receptor genes (GRMs) have been considered potential candidates for ADHD susceptibility. The aim of the present study was to investigate if copy number variants (CNVs) in GRM1, GRM5, and GRM8 genes are overrepresented in ADHD subjects. A total of 1038 individuals with ADHD and 1057 subjects without this disorder were investigated. No significant difference in the total number of CNVs was found comparing the entire ADHD sample and the population sample without ADHD (P = 0.326, OR = 1.112, 95% CI = 0.762–1.624). The presence of CNVs was associated with lower intelligence quotient (IQ) scores in ADHD samples (P = 0.026, OR = 1.824, 95% CI = 1.066–3.121) but not in the sample of individuals without ADHD. CNVs in GRM5 were associated with presence of anxiety disorders in ADHD cases (P = 0.002, OR = 3.915, 95% CI = 1.631–9.402), but not in individuals without ADHD. Taken together, our results suggest a role for glutamate in ADHD as CNVs in the glutamatergic genes investigated herein were associated with cognitive and clinical characteristics of ADHD individuals. © 2014 The Authors. American Journal of Medical Genetics Part B: Neuropsychiatric Genetics Published by Wiley Periodicals, Inc.
Fluorescent Probes for Hydrogen Sulfide Detection
Authors: Peng Bo , Xian Ming
Published: July 2014

Hydrogen sulfide (H2S) is an important signaling molecule with potent cytoprotective actions. Current results strongly suggest that modulation of H2S levels could have potential therapeutic values for a number of disease states, but its exact mechanisms of action are still unclear. A number of fundamental issues must be addressed to advance our understanding of the biology and clinical potential of H2S in the future. It is important, therefore, to understand the chemistry and properties of H2S and to appreciate the limitation and errors that may be generated when measuring H2S in biological samples. In the past several years a number of fluorescent probes for H2S detection have been developed. These probes are based on H2S‐mediated reactions and are useful research tools. Herein, we provide an overview of current progress in this field. The development and properties of representative probes are discussed.
Effect of living conditions on biochemical and hematological parameters of the cynomolgus monkey
Authors: Xie Liang , Zhou Qinming , Liu Shigang , Xu Fan , Shively Carol A. , Wu Qingyuan , Gong Wei , Ji Yongjia , Fang Liang , Li Leilei , Melgiri Narayan D. , Xie Peng
Published: July 2014

The cynomolgus monkey (Macaca fascicularis) has been increasingly used in biomedical research. Although living conditions affect behavioral and physiological characteristics in macaques, little data is available on how living conditions influence blood‐based parameters in the cynomolgus monkey. We hypothesize that there are significant differences in serum biochemical and hematological parameters in single‐caged versus socially housed cynomolgus monkeys, and that age and sex influence the effect of living conditions on these parameters. Sixty single‐caged and 60 socially housed cynomolgus monkeys were segregated by age group (juvenile, adult) and sex. The effects of living condition, age, sex, and the interactions between these factors on commonly reported serum biochemical and hematological parameters were analyzed by a three‐way analysis of variance (ANOVA). Then, the differences between single‐caged and socially housed subjects were tested in each parameter by Student's t‐test. Creatinine, glucose, triglyceride, alanine aminotransferase, red blood cell volume distribution width (SD, CV), median fluorescence reticulocyte percentage, white blood cell and basophil counts, and monocyte (count, %) were lower in single‐caged subjects. Blood urea nitrogen and globulin were lower in single‐caged juveniles and adults, respectively. Red blood cell count, hemoglobin, hematocrit, and neutrophil (count, %) were higher, and reticulocyte and lymphocyte (counts, %) were lower, in single‐caged juveniles. Mean corpuscular hemoglobin concentration was higher in single‐caged subjects (but more pronounced in adults). Total protein was higher in single‐caged juvenile males and lower in single‐caged adult females. Alkaline phosphatase was lower in single‐caged juvenile females. Mean corpuscular hemoglobin was higher, and high fluorescence reticulocyte percentage was lower, in single‐caged adult males. In conclusion, living conditions significantly affect several serum biochemical and hematological parameters in the cynomolgus monkey, and these effects vary by age and sex. As this macaque is commonly housed under different living conditions, these findings should aid researchers in avoiding inaccurate conclusions concerning this species. Am. J. Primatol. 76:1011–1024, 2014. © 2014 Wiley Periodicals, Inc.
Neonatal vitamin D status and risk of multiple sclerosis
Authors: Ueda Peter , Rafatnia Farshid , Bäärnhielm Maria , Fröbom Robin , Korzunowicz Greg , Lönnerbro Ragnar , Hedström Anna Karin , Eyles Darryl , Olsson Tomas , Alfredsson Lars
Published: July 2014

Objective

Low vitamin D status at birth may be associated with risk of adult onset multiple sclerosis, but this link has not been studied directly. We assessed the relation between neonatal vitamin D concentrations, measured in stored blood samples, and risk of multiple sclerosis.

Methods

This was a population‐based case–control study in Sweden including 459 incident cases of multiple sclerosis and 663 controls, randomly drawn from a national population registry and frequency matched on sex, age, and residential area.

Results

There was no association between neonatal 25‐hydroxyvitamin D quintile and risk of multiple sclerosis (crude odds ratio = 1.0, 95% confidence interval = 0.68–1.44, for the highest quintile compared to the lowest). Adjusting for a number of potential confounding factors in early life (month of birth, latitude of birth, breastfeeding) and in adult life (25‐hydroxyvitamin D, sun exposure, vitamin D intake from dairy products, fatty fish consumption, smoking, body mass index at 20 years of age) as well as ancestry, multiple sclerosis heredity, and socioeconomic group did not considerably affect the result.

Interpretation

At a broad population level, 25‐hydroxyvitamin D at birth was not associated with risk of multiple sclerosis. Ann Neurol 2014;76:338–346
Dipalladium Catalyst for Olefin Polymerization: Introduction of Acrylate Units into the Main Chain of Branched Polyethylene
Authors: Takano Shigenaga , Takeuchi Daisuke , Osakada Kohtaro , Akamatsu Norihisa , Shishido Atsushi
Published: July 2014

A dipalladium complex with a double‐decker structure catalyzes ethylene–acrylate copolymerization to produce the branched polymer containing the acrylate units in the polymer chain, not at the branch terminus. The cooperation of the two palladium centers, which are fixed in a rigid framework of the macrocyclic ligand, is proposed to have a significant dinuclear effect on the copolymerization.
Kettenterminierende und durch Click‐Chemie modifizierbare NAD+‐Analoga zur Markierung von Zielproteinen der ADP‐Ribosyltransferasen
Authors: Wang Yan , Rösner Daniel , Grzywa Magdalena , Marx Andreas
Published: July 2014

ADP‐Ribosyltransferasen (ARTs) nutzen NAD+ als Substrat und spielen aufgrund der Übertragung von mehreren ADP‐Ribose‐Einheiten sowie der Bildung von Poly(ADP‐Ribose)(PAR)‐Ketten unterschiedlicher Länge an Zielproteinen eine wichtige Rolle in vielen biologischen Prozessen wie der DNA‐Schadensantwort und der Zellzyklusregulierung. Bestrebungen, die Zielproteine der PARylierung sowie deren spezifischen ADP‐Ribose‐Akzeptorstellen zu identifizieren, müssen die Komplexität der PAR überwinden. Wir berichten hier von neuen NAD+‐Analoga, die effizient durch Wildtyp‐ARTs verarbeitet werden und infolge der Abwesenheit benötigter Hydroxygruppen zum Kettenabbruch führen, was zu einer Verringerung der Komplexität dieser Proteinmodifikation führt. Die Anwesenheit einer Alkingruppe in den hier vorgestellten NAD+‐Analoga ermöglicht die anschließende Markierung mit Farbstoffen oder Affinitätsmarkern mittels Click‐Chemie. Diese Studie bietet Einsicht in das ART‐Substratspektrum und könnte den Weg für weitere Entwicklungen chemischer Werkzeuge zur Erforschung des PAR‐Metabolismus bereiten.
[2+2] Cycloaddition of 1,3‐Dienes by Visible Light Photocatalysis
Authors: Hurtley Anna E. , Lu Zhan , Yoon Tehshik P.
Published: July 2014

[2+2] Photocycloadditions of 1,3‐dienes represent a powerful yet synthetically underutilized class of reactions. We report that visible light absorbing transition metal complexes enable the [2+2] cycloaddition of a diverse range of 1,3‐dienes. The ability to use long‐wavelength visible light is attractive because these reaction conditions tolerate the presence of sensitive functional groups that might be readily decomposed by the high‐energy UVC radiation required for direct photoexcitation of 1,3‐dienes. The resulting vinylcyclobutane products are poised for a variety of further diversification reactions, and this method is consequently expected to be powerfully enabling in the synthesis of complex organic targets.
Potassium 1,1′‐Dinitramino‐5,5′‐bistetrazolate: A Primary Explosive with Fast Detonation and High Initiation Power
Authors: Fischer Dennis , Klapötke Thomas M. , Stierstorfer Jörg
Published: July 2014

Adequate primary explosives such as lead azide mostly contain toxic ingredients, which have to be replaced. A new candidate that shows high potential, potassium 1,1′‐dinitramino‐5,5′‐bistetrazolate (K2DNABT), was synthesized by a sophisticated synthetic procedure based on dimethylcarbonate and glyoxal. It was intensively characterized for its chemical (X‐ray diffraction, EA, NMR and vibrational spectroscopy) and physico‐chemical properties (sensitivity towards impact, friction, and electrostatic, DSC). The obtained primary explosive combines good thermal stability with the desired mechanical stability. Owing to its high heat of formation (326 kJ mol−1) and density (2.11 g cm−3), impressive values for its detonation velocity (8330 m s−1) and pressure (311 kbar) were computed. Its superior calculated performance output was successfully confirmed and demonstrated by different convenient energetic test methods.
Efficient Diketopyrrolopyrrole‐Based Small‐Molecule Bulk‐Heterojunction Solar Cells with Different Electron‐Donating End‐Groups
Authors: Kim Yu Jin , Back Jang Yeol , Kim Seul‐Ong , Jeon Chan‐Woo , Park Chan Eon , Kim Yun‐Hi
Published: July 2014

A series of small molecules that contained identical π‐spacers (ethyne), a central diketopyrrolopyrrole (DPP) unit, and different aromatic electron‐donating end‐groups were synthesized and used in organic solar cells (OSCs) to study the effect of electron‐donating groups on the device performance. The three compounds, DPP‐A‐Ph, DPP‐A‐Na, and DPP‐A‐An, possessed intense absorption bands that covered a wide range, from 350 to 750 nm, and relatively low HOMO energy levels, from −5.50 to −5.55 eV. DPP‐A‐An, which contained anthracene end‐groups, demonstrated a stronger absorbance and a higher hole mobility than DPP‐A‐Ph, which contained phenyl groups, and DPP‐A‐Na, which contained naphthalene units. The power‐conversion efficiencies (PCEs) of OSCs based on organic:PC71BM blends (1:1, w/w) with a processed DIO additive were 3.93 % for DPP‐A‐An, 3.02 % for DPP‐Na, and 2.26 % for DPP‐A‐Ph. These findings suggest that a DPP core that is functionalized with electron‐donating capping groups constitutes a promising new class of solution‐processable small molecules for OSC applications.
Immortal time bias in observational studies of drug effects in pregnancy
Authors: Matok Ilan , Azoulay Laurent , Yin Hui , Suissa Samy
Published: July 2014

Background

The use of decongestants during the second or third trimesters of pregnancy has been associated with a decreased risk of preterm delivery in two observational studies. This effect may have been subject to immortal time bias, a bias arising from the improper classification of exposure during follow‐up. We illustrate this bias by repeating the studies using a different data source.

Methods

The United Kingdom Hospital Episodes Statistics and the Clinical Practice Research Datalink databases were linked to identify all live singleton pregnancies among women aged 15 to 45 years between 1997 and 2012. Cox proportional hazards models were used to estimate hazard ratios (HRs) and 95% confidence intervals of preterm delivery (before 37 weeks of gestation) by considering the use of decongestants during the third trimester as a time‐fixed (biased analysis which misclassifies unexposed person‐time as exposed person‐time) and time‐varying exposure (unbiased analysis with proper classification of unexposed person‐time). All models were adjusted for maternal age, smoking status, maternal diabetes, maternal hypertension, preeclampsia, and parity.

Results

Of the 195,582 singleton deliveries, 10,248 (5.2%) were born preterm. In the time‐fixed analysis, the HR of preterm delivery for the use of decongestants was below the null and suggestive of a 46% decreased risk (adjusted HR = 0.54; 95% confidence interval, 0.24–1.20). In contrast, the HR was closer to null (adjusted HR = 0.93 95% confidence interval, 0.42–2.06) when the use of decongestants was treated as a time‐varying variable.

Conclusion

Studies of drug safety in pregnancy should use the appropriate statistical techniques to avoid immortal time bias, particularly when the exposure occurs at later stages of pregnancy. Birth Defects Research, 100:658–662, 2014. © 2014 Wiley Periodicals, Inc.
Monitoring der Seitenhafenbrücke in Wien
Authors: Geier Roman , Mack Thomas , Krebes Erich
Published: July 2014

In den letzten Jahren wurden, aufgrund der zahlreichen Vorteile integraler Brücken über den Lebenszyklus, vermehrt lager‐ und fugenlose Brücken geplant und errichtet. Die Akzeptanz seitens der Bauherren gegenüber diesem Brückentyp ist inzwischen auch bei größeren Tragwerkslängen bis 100 m durchaus gegeben. Bei zunehmender Länge haben jedoch Langzeiteffekte sowie Temperaturschwankungen deutliche Auswirkungen auf die Bewegungen und damit die Boden‐Bauwerks‐Interaktion, die für ein langes integrales Bauwerk bemessungsrelevant sein können.

Die in diesem Bericht präsentierte Seitenhafenbrücke in Wien ist die aktuell längste integrale Brücke in Österreich. Aufgrund einer Gesamtlänge von rund 130 m sowie einiger bautechnischer Besonderheiten wurde vom Bauherren ein umfangreiches Monitoringsystem zur Überwachung des Bauwerksverhaltens ausgeschrieben und eingebaut. Dieses nimmt seit der Eröffnung des Bauwerks im November 2011 unterbrechungsfrei Messdaten auf.

Es werden dauerhaft die Temperaturen und die Bauwerksbewegungen wie Durchbiegungen, Neigungen, Längenänderungen und der Erddruck am Widerlager gemessen. Die Daten werden laufend ausgewertet und in Berichten für den Bauherren im Vergleich zu den Annahmen der statischen Berechnung zusammengefasst, um Aufschluss über das tatsächliche Bauwerksverhalten zu geben.

Monitoring of the Seitenhafenbridge in Vienna

More and more bridges without bearings and expansion joints have been designed and built in recent years as a result of the numerous advantages which integral bridges have all through their life cycle. This type of a bridge with larger load bearing structures not exceeding 100 m has been accepted meanwhile also by clients. With increasing length however, temperature variations have significant effects on the movements and thus on the soil‐structure interaction which, when we speak about a long integral construction, is relevant in terms of design.

The Seitenhafenbridge in Vienna presented in this article is currently the longest integral bridge in Austria. Having regard to its total length of about 130 meters, the client requested and installed a complex system for the monitoring of the movements of the construction. This system is gathering measuring data since opening of the bridge in November 2011 without any interruptions.

The monitoring system constantly measures the temperatures and the movements of the construction, like for example deflection, inclination, length variation and earth pressure at the abutment. The data are continuously assessed and summed up in intermediary reports for the client in order to provide an overview on the actual behaviour of the structure.
Monitoring des realen Grades der Ermüdungsschädigung in Betonstrukturen
Authors: Urban Susanne , Wagner Richard , Strauss Alfred , Dallinger Sonja , Reiterer Michael , Dehlinger Christian , Bergmeister Konrad
Published: July 2014

Nach den heutigen aktuell gültigen Normen und Vorschriften (z. B. CEB‐FIP‐Model Code 2010 [1]) werden für den Ermüdungsnachweis und auch für die Bestimmung des Schädigungsgrades von Betonbauteilen Lastzyklen gezählt und lineare Schadens‐Akkumulations‐Hypothesen angewandt. Die so gewonnenen Ergebnisse entsprechen nicht der Realität, da Beton ein sehr stark nicht lineares Verhalten aufweist. Ein Weg, diese Ergebnisse zu verbessern, ist die Anwendung von Monitoring, um die Veränderung in der inneren Struktur des Betons mittels eines lastunabhängigen Messverfahrens überwachen zu können. In diesem Artikel wird ein Monitoring‐Konzept vorgestellt, mit welchem es möglich ist, diese Ziele zu verwirklichen. Die zugehörigen Laborversuche wurden bereits in [2] beschrieben. Nun folgt deren tiefergehende Auswertung. Am Ende dieses Artikels werden dynamische Tests an vorgespannten Monoblockschwellen gezeigt. Diese wurden mithilfe des im Rahmen dieser Veröffentlichung beschriebenen Monitoring‐Konzepts überwacht. Die dadurch erhaltenen Sensormesswerte wurden mit einer numerisch nichtlinearen Simulation der Schwelle korreliert.

Monitoring of the real degree of Fatigue deterioration within concrete structures – Research Project MOSES

According to actual codes and regulations (e.g. CEB‐FIP‐Model Code 2010 [1]) the verification concept for fatigue and the determination of the real degree of deterioration of Concrete structures is based on counted load cycles and the linear Palmgren‐Miner summation. The results gained in this manner will never depict the reality because of the not considered heavily non‐linear behavior of concrete. A way to improve the results is the application of monitoring sensors, which are able to image the changes in the inner part of the concrete matrix independently from applied loads. In this article a monitoring concept will be proposed which can achieve these objectives. The laboratory tests are already described in [2] and now a deeper assessment of the measured results will be made. At the end of this article dynamic tests with prestressed railway sleepers and mounted monitoring system are presented. The measurement data of the sensors will be correlated with results of a numerical nonlinear simulation of the sleeper.
Practical considerations for using functional uniform prior distributions for dose‐response estimation in clinical trials
Authors: Bornkamp Björn
Published: July 2014

Estimating nonlinear dose‐response relationships in the context of pharmaceutical clinical trials is often a challenging problem. The data in these trials are typically variable and sparse, making this a hard inference problem, despite sometimes seemingly large sample sizes. Maximum likelihood estimates often fail to exist in these situations, while for Bayesian methods, prior selection becomes a delicate issue when no carefully elicited prior is available, as the posterior distribution will often be sensitive to the priors chosen. This article provides guidance on the usage of functional uniform prior distributions in these situations. The essential idea of functional uniform priors is to employ a distribution that weights the functional shapes of the nonlinear regression function equally. By doing so one obtains a distribution that exhaustively and uniformly covers the underlying potential shapes of the nonlinear function. On the parameter scale these priors will often result in quite nonuniform prior distributions. This paper gives hints on how to implement these priors in practice and illustrates them in realistic trial examples in the context of Phase II dose‐response trials as well as Phase I first‐in‐human studies.
Anti‐Markovnikov Hydroamination of Aromatic Alkenes with Secondary Amines Catalyzed by Easily Accessible Yttrium Complexes
Authors: Germain Stéphane , Schulz Emmanuelle , Hannedouche Jérôme
Published: July 2014

Binaphthylamido alkyl yttrium complexes have been proven to promote the anti‐Markovnikov addition between various styrene derivatives and secondary amines efficiently. Although the reaction has to be performed at high temperature, it is realized advantageously with a 1:2 amine/alkene molar ratio to deliver the hydroamination product in a satisfactory isolated yield. Furthermore, the reaction with 2‐vinylpyridine proceeds at room temperature within a few minutes with a low catalyst loading of 1 mol %. The procedure has been extended to a tandem intermolecular anti‐Markovnikov–intramolecular Markovnikov hydroamination for which the chiral precatalyst delivered the targeted product in up to 85 % yield and 48 % enantiomeric excess.
Photocatalytic Reduction of Carbon Dioxide over Self‐Assembled Carbon Nitride and Layered Double Hydroxide: The Role of Carbon Dioxide Enrichment
Authors: Hong Jindui , Zhang Wei , Wang Yabo , Zhou Tianhua , Xu Rong
Published: July 2014

A self‐assembly of carbon nitride (C3N4) and layered double hydroxide (LDH) was constructed by electrostatic interaction. The pristine nitrate‐intercalated Mg‐Al‐LDH is turned to carbonate LDH through anion exchange during the photoreduction of CO2 in aqueous solution. The carbonate anions enriched in the interlayer of LDH exhibit a remarkably high reduction efficiency to CH4 in the presence of a C3N4 photoabsorber and Pd cocatalyst.
Carbon Nanotube–Gold Nanohybrid Catalyzed N‐Formylation of Amines by using Aqueous Formaldehyde
Authors: Shah Nimesh , Gravel Edmond , Jawale Dhanaji V. , Doris Eric , Namboothiri Irishi N. N.
Published: July 2014

The N‐formylation of a variety of primary and secondary amines by using aqueous formaldehyde at room temperature in open air affords the corresponding formamides in excellent yield under the catalytic influence of a gold–carbon nanotube nanohybrid. The reaction is also marked by excellent chemoselectivity, low catalyst loading, and recyclability of the catalyst.
Silver‐Catalyzed Functionalization of Esters by Carbene Transfer: The Role of Ylide Zwitterionic Intermediates
Authors: Gava Riccardo , Fuentes M. Ángeles , Besora Maria , Belderrain Tomás R. , Jacob Kane , Maseras Feliu , Etienne Michel , Caballero Ana , Pérez Pedro J.
Published: July 2014

The reaction of esters with ethyl diazoacetate catalyzed by the complex [F27–TpAg(acetone)] generates α‐(acyloxy)acetates in moderate to high yields. This is a novel transformation in the context of carbene‐transfer reactions from diazo compounds that, according to experimental and theoretical data, is suggested to occur through zwitterionic intermediates.
Covalence and Ionicity in MgAgAs‐Type Compounds
Authors: Bende David , Grin Yuri , Wagner Frank R.
Published: July 2014

MgAgAs‐type “half‐Heusler” compounds are known to realize two out of three possible atomic arrangements of this structure type. The number of transition metal components typically determines which of the alternatives is favored. On the basis of DFT calculations for all three variants of 20 eight‐ and eighteen‐valence‐electron compounds, the experimentally observed structural variant was found to be determined by basically two different bonding patterns. They are quantified by employing two complementary position‐space bonding measures. The Madelung energy${E_{\rm{M}}^{{\rm{QTAIM}}} }$calculated with the QTAIM effective charges reflects contributions of the ionic interactions to the total energy. The sum of nearest‐neighbor delocalization indicesςnncharacterizes the covalent interactions through electron sharing. With the aid of these quantities, the energetic sequence of the three atomic arrangements for each compound is rationalized. The resulting systematic is used to predict a scenario in which an untypical atomic arrangement becomes most favorable.
Rhenium(I) Polypyridine Diamine Complexes as Intracellular Phosphorogenic Sensors: Synthesis, Characterization, Emissive Behavior, Biological Properties, and Nitric Oxide Sensing
Authors: Choi Alex Wing‐Tat , Yim Vicki Man‐Wai , Liu Hua‐Wei , Lo Kenneth Kam‐Wing
Published: July 2014

We report the development of a series of rhenium(I) polypyridine complexes appended with an electron‐rich diaminoaromatic moiety as phosphorogenic sensors for nitric oxide (NO). The diamine complexes [Re(N^N)(CO)3(py‐DA)][PF6] (py‐DA=3‐(N‐(2‐amino‐5‐methoxyphenyl)aminomethyl)pyridine; N^N=1,10‐phenanthroline (phen) (1 a), 3,4,7,8‐tetramethyl‐1,10‐phenanthroline (Me4‐phen) (2 a), 4,7‐diphenyl‐1,10‐phenanthroline (Ph2‐phen) (3 a)) have been synthesized and characterized. In contrast to common rhenium(I) diimines, these diamine complexes were very weakly emissive due to quenching of the triplet metal‐to‐ligand charge‐transfer (3MLCT) emission by the diaminoaromatic moiety through photoinduced electron transfer (PET). Upon treatment with NO, the complexes were converted into the triazole derivatives [Re(N^N)(CO)3(py‐triazole)][PF6] (py‐triazole=3‐((6‐methoxybenzotriazol‐1‐yl)methyl)pyridine; N^N=phen (1 b), Me4‐phen (2 b), Ph2‐phen (3 b)), resulting in significant emission enhancement (I/I0≈60). The diamine complexes exhibited high reaction selectivity to NO, and their emission intensity was found to be independent on pH. Also, these complexes were effectively internalized by HeLa cells and RAW264.7 macrophages with negligible cytotoxicity. Additionally, the use of complex 3 a as an intracellular phosphorogenic sensor for NO has been demonstrated.