bluuebunny/crossref_metadata_2025 huggingface dataset:
Student outcomes after 1 year of front line staff implementation of the PEAK curriculum
Authors: Dixon Mark R. , Belisle Jordan , Stanley Caleb R. , Rowsey Kyle
Published: February 2018

Systems‐level interventions built by behavior analysts often rely on others to implement, and this may be especially true in public education settings where behavior analysts are scarce. This study evaluated the effectiveness of the Promoting the Emergence of Advanced Knowledge Direct Training (PEAK‐DT) curriculum when implemented by school teachers and direct care staff. Thirty‐nine children with autism took part in the study (19 PEAK, 15 control), where the experimental group received applied behavior analytic instruction through the PEAK‐DT curriculum, and the quasi‐randomized control group received training as usual. The PEAK‐DT assessment was first administered to the participants at the onset of the study and again following 1 year. Participants who received PEAK training gained more skills on the PEAK‐DT assessment compared to the control group (PEAK: M = 16.0, SD = 17.8; control: M = 6.1, SD = 14.4, F(1,33) = 10.66, p < .05), suggesting that systems level implementation of behavior analytic procedures can be effective in teaching language skills as prescribed in a packaged curriculum designed by behavior analysts.
Rational Design of an Efficient Halotolerant Enzymatic System for In Vitro One‐Pot Synthesis of Cytidine Diphosphate Choline
Authors: Wang Junzhi , Zheng Cheng , Cao Yang , Tan Zhuotao , Liu Dong , Cheng Zhuopei , Ying Hanjie , Niu Huanqing
Published: February 2018

Salt accumulation often impedes cytidine diphosphate choline (CDP‐choline) in vitro biosynthetic process. In this work a halotolerant in vitro enzymatic system is developed to solve this problem. It applies a halotolerant choline‐phosphate cytidylyltransferase (CCT) obtained from rational design instructed by a unique strategy, which refers to one of the features of naturally occurring halophilic enzymes. By increasing acidic residues on protein surface where is most variable with respect to amino acid in the sequence alignment with other CCT, the mutants are obtained. The mutants represent higher catalytic activities and IC50 values (inhibit activity by 50%) at high‐salt concentrations. Furthermore, when the halotolerant CCT is applied to in vitro one‐pot biosynthesis of CDP‐choline, the maximum titer and productivity are 161 ± 3.5 mM and 6.2 ± 0.1 mM L−1 h−1, respectively. When acetate concentration increases, it still keeps relatively high reaction rate and is 2.2‐fold higher than process using wild‐type CCT (3.87 mM L−1 h−1 comparing with 1.74 mM L−1 h−1). This halotolerant system has great potential for industrial use, and the rational design concept can be applied to modify other enzymes, addressing the salt accumulation problem in in vitro systems, and gives insight into resolving by‐product inhibition during reaction.
Simultaneous determination of gelsemine and koumine in rat plasma by UPLC‐MS/MS and application to pharmacokinetic study after oral administration of Gelsemium elegans Benth extract
Authors: Wang Lin , Wen Yanqing , Meng Fanhao
Published: February 2018

A simple, rapid and sensitive method using UPLC‐MS/MS was established and validated for simultaneous determination of gelsemine and koumine in rat plasma after oral administration of Gelsemium elegans Benth extract. Plasma was performed with methanol precipitation and berberine was chosen as the internal standard. Plasma samples were separated on an Acquity UPLC® BEH C18 column (3.0 × 50 mm, 1.7 μm) with gradient elution using acetonitrile and 0.1% formic acid aqueous solution as the mobile phase at a flow rate of 0.4 mL/min. Multiple reaction monitoring mode in positive ion mode was utilized for detection. The calibration curves were linear over the range of 0.2–100 ng/mL for gelsemine and 0.1–50 ng/mL for koumine, with the lower limits of quantification 0.2 and 0.1 ng/mL, respectively. The intra‐ and inter‐precision and accuracy were well within the acceptable ranges. The developed method was successfully applied to an in vivo pharmacokinetic study in rat after oral administration of 10 mg/kg Gelsemium elegans Benth extract.
Extraction of bioactive compounds against cardiovascular diseases from Lentinula edodes using a sequential extraction method
Authors: Morales Diego , Piris Adriana J. , Ruiz‐Rodriguez Alejandro , Prodanov Marin , Soler‐Rivas Cristina
Published: February 2018

Three extraction methods were sequentially combined to obtain fractions from Lentinula edodes (shiitake mushrooms) containing bioactive compounds against cardiovascular diseases (CVDs). Fruiting bodies were first extracted with plain water, obtained residue was then submitted to supercritical fluid extraction (SFE) and remaining residue submitted to hot water extraction. Sequential design allowed reutilization of the nonextracted material as raw material for the successive extractions increasing extraction yields and separating interesting compounds. Obtained fractions contained different amounts of ß‐glucans, chitins, eritadenine, lenthionine, ergosterol, proteins/peptides and phenolic compounds conferring them different bioactivities. Water soluble fractions showed high antioxidant activities (ABTS+• and DPPH• scavenging capacity and reducing power), they were also able to inhibit one of the main enzymes involved in hypertension (angiotensin‐I converting enzyme) and the key enzyme of cholesterol metabolism (3‐hydroxy‐3‐methylglutaryl coenzyme A reductase). The latter inhibitory activity was also noticed in SFE extracts although ergosterol and other lipid‐like molecules were isolated. Dietary fibers were separated in the third extraction. Therefore, with this sequential extraction procedure bioactive compounds against CVDs can be selectively separated from a single batch of shiitake powder. © 2018 American Institute of Chemical Engineers Biotechnol. Prog., 34:746–755, 2018
Prospective, randomized comparison of 3‐dimensional computed tomography guidance versus TEE data for left atrial appendage occlusion (PRO3DLAAO)
Authors: Eng Marvin H. , Wang Dee Dee , Greenbaum Adam B. , Gheewala Neil , Kupsky Daniel , Aka Tongwa , Song Thomas , Kendall Bradley James , Wyman Janet , Myers Eric , Forbes Michael , O'Neill William W.
Published: February 2018

Background

Preliminary data comparing 3‐dimensional computed tomography (3D‐CT) to transesophageal echocardiography (TEE) for left atrial appendage occlusion (LAAO) indicates that 3D‐CT provides more accurate measurements and improves case planning. Therefore, we conducted a pilot study comparing 3D‐CT to TEE in occluder selection accuracy and procedural efficiency.

Methods

From May 2016 to February 2017, 24 patients were prospectively randomized to undergo LAAO using either TEE or 3D‐CT. The primary endpoint was device accuracy while the secondary endpoints included # devices per case, # guide catheters used per case, # fluoroscopy angles used, procedure time, fluoroscopy time, radiation dose, and major adverse events (stroke, MI, device embolization, perforation, death).

Results

Procedure success was 100% and 92% for the 3D‐CT and 2D‐TEE cohorts respectively. Accuracy for 1st device selection 92% and 27% (P = .01) for 3D‐CT and 2D‐TEE respectively but with intra‐procedural upsizing in the 2D‐TEE cohort, the 2D‐TEE cohort accuracy increased to 64% while the 3D‐CT groups 92% was accurate (P = .33). Case planning using 3D‐CT was significantly more efficient with respect to device utilization (CT 1.33 ± 0.7 vs. 2D‐TEE 2.5 ± 1.2 P = .01), guide catheters (CT 1 vs. 2D‐TEE 1.7 ± 0.8 P = .01) and procedure time (3D‐CT 55 ± 17 min vs. 2D‐TEE 73 ± 24 min P < .05). One major adverse event, a stroke occurred in the 2D‐TEE group.

Conclusion

In this single‐center pilot study, CT guided LAAO case planning was associated with improved device selection accuracy and procedural efficiency. This study data supports the notion that comprehensive 3D assessment significantly simplifies LAAO, minimizing the time and number of steps needed.
Ex Situ Evidence for the Role of a Fluoride‐Rich Layer Switching the Growth of Nanopores to Nanotubes: A Missing Piece of the Anodizing Puzzle
Authors: Shahzad Khurram , Kowalski Damian , Zhu Chunyu , Aoki Yoshitaka , Habazaki Hiroki
Published: February 2018

The front cover artwork is provided by the Laboratory of Interfacial Electrochemistry, Hokkaido University (Japan). The image illustrates the transition of anodic nanopores into nanotubes during the anodizing process. The compositional fingerprints of this transition, acquired by using high‐resolution TEM/EDS, shed light on the general mechanism of nanotube growth in organic electrolytes containing fluorides. Read the full text of the Article at 10.1002/celc.201701103.
Thermally Stable TiO2‐ and SiO2‐Shell‐Isolated Au Nanoparticles for In Situ Plasmon‐Enhanced Raman Spectroscopy of Hydrogenation Catalysts
Authors: Hartman Thomas , Weckhuysen Bert M.
Published: February 2018

Raman spectroscopy is known as a powerful technique for solid catalyst characterization as it provides vibrational fingerprints of (metal) oxides, reactants, and products. It can even become a strong surface‐sensitive technique by implementing shell‐isolated surface‐enhanced Raman spectroscopy (SHINERS). Au@TiO2 and Au@SiO2 shell‐isolated nanoparticles (SHINs) of various sizes were therefore prepared for the purpose of studying heterogeneous catalysis and the effect of metal oxide coating. Both SiO2‐ and TiO2‐SHINs are effective SHINERS substrates and thermally stable up to 400 °C. Nano‐sized Ru and Rh hydrogenation catalysts were assembled over the SHINs by wet impregnation of aqueous RuCl3 and RhCl3. The substrates were implemented to study CO adsorption and hydrogenation under in situ conditions at various temperatures to illustrate the differences between catalysts and shell materials with SHINERS. This work demonstrates the potential of SHINS for in situ characterization studies in a wide range of catalytic reactions.
Alkynyl Coinage Metal Clusters and Complexes–Syntheses, Structures, and Strategies
Authors: Gupta Arvind Kumar , Orthaber Andreas
Published: February 2018

In this Concept we discuss how the chemistry of coinage metal complexes based on alkynyl ligands has developed over the past decades. The rich coordination of alkynyl, that exhibit both η1 (end‐on) and η2 (side on) modes, includes non‐bridged systems, as well as bridging of up to four (or six) metal centres. Resulting metal clusters often exhibit highly regular structures and typical coordination motifs forming fascinating assemblies exploiting this versatile coordination. Metallophilic interactions are often an important driving force for the formation of large clusters. In addition, the use of co‐ligands as well the possibility to encapsulate counter ions greatly increases the chemical and structural diversity. Herein we attempt to summarize and highlight design principles towards multinuclear homo and hetero‐bi‐metallic coinage metal clusters of alkynyl ligands.
Coupling Influences SMM Properties for Pure 4 f Systems
Authors: Zhang Xuejing , Liu Shuang , Vieru Veacheslav , Xu Na , Gao Chen , Wang Bing‐Wu , Shi Wei , Chibotaru Liviu F. , Gao Song , Cheng Peng , Powell Annie K.
Published: February 2018

Increasing both the energy barrier for magnetization reversal and the coercive field of the hysteresis loop are significant challenges in the field of single‐molecule magnets (SMMs). Coordination geometries of lanthanide ions and magnetic interactions between lanthanide ions are both important for guiding the magnetic behavior of SMMs. We report a high energy barrier of 657 K (457 cm−1) in a diamagnetic‐ion‐diluted lanthanide chain compound with a constrained bisphenoid symmetry (D2d); this energy barrier is substantially higher than the barrier of 567 K (394 cm−1) of the non‐diluted chain compound with intrachain ferromagnetic interactions. Although intrachain magnetic interaction lowers the energy barrier for magnetization reversal, it can greatly enhance the coercive fields and zero‐field remanence of the hysteresis loops, which is crucial for the rational design of high‐performance SMMs. Factors related to the coordination sphere of the lanthanide center, which govern the high magnetic relaxation barriers through the second excited Kramer's doublets and the magnetic interactions that affect the hysteresis loops, were revealed through ab initio calculations.
An Unprecedented Pd‐Catalyzed Carbonylative Route to Fused Furo[3,4‐b]indol‐1‐ones
Authors: Acerbi Alessandra , Carfagna Carla , Costa Mirco , Mancuso Raffaella , Gabriele Bartolo , Della Ca' Nicola
Published: February 2018

A novel and efficient catalytic approach to functionalized furo[3,4‐b]indol‐1‐ones is reported. It is based on a palladium‐catalyzed sequential process involving an initial cyclization of 2‐(hydroxypropyn‐1‐yl)anilines to form the indole moiety, followed by insertion of carbon monoxide and a second annulation step to build a lactone ring. In a single transformation, two fused heterocycles and three new bonds (C−N, C−C and C−O) are generated. The present methodology gives direct access to structurally complex molecules starting from readily available reagents.
Streamlined Synthesis and Evaluation of Teichoic Acid Fragments
Authors: van der Es Daan , Berni Francesca , Hogendorf Wouter F. J. , Meeuwenoord Nico , Laverde Diana , van Diepen Angela , Overkleeft Herman S. , Filippov Dmitri V. , Hokke Cornelis H. , Huebner Johannes , van der Marel Gijsbert A. , Codée Jeroen D. C.
Published: February 2018

Teichoic acids (TAs) are key components of the Gram‐positive bacterial cell wall that are composed of alditol phosphate repeating units, decorated with alanine or carbohydrate appendages. Because of their microhetereogeneity, pure well‐defined TAs for biological or immunological evaluation cannot be obtained from natural sources. We present here a streamlined automated solid‐phase synthesis approach for the rapid generation of well‐defined glycosylated, glycerol‐based TA oligomers. Building on the use of a “universal” linker system and fluorous tag purification strategy, a library of glycerolphosphate pentadecamers, decorated with various carbohydrate appendages, is generated. These are used to create a structurally diverse TA‐microarray, which is used to reveal, for the first time, the binding preferences of anti‐LTA (lipoteichoic acids) antibodies at the molecular level.
AgI‐Induced Switching of DNA Binding Modes via Formation of a Supramolecular Metallacycle
Authors: Basak Shibaji , Léon J. Christian , Ferranco Annaleizle , Sharma Renu , Hebenbrock Marian , Lough Alan , Müller Jens , Kraatz Heinz‐Bernhard
Published: February 2018

The histidine derivative L1 of the DNA intercalator naphthalenediimide (NDI) forms a triangular AgI complex (C2). The interactions of L1 and of C2 with DNA were studied by circular dichroism (CD) and UV/Vis spectroscopy and by viscosity studies. Different binding modes were observed for L1 and for C2, as the AgI complex C2 is too large in size to act as an intercalator. If AgI is added to the NDI molecule that is already intercalated into a duplex, higher order complexes are formed within the DNA duplex and cause disruptions in the helical duplex structure, which leads to a significant decrease in the characteristic CD features of B‐DNA. Thus, via addition of a metal we show how a classic and well‐known organic intercalator unit can be turned into a partial metallo insertor. We also show how electrochemical impedance spectroscopy (EIS) can be used to probe DNA binding modes on DNA films that are immobilized on gold surfaces.
Equilibration of Imine‐Linked Polymers to Hexagonal Macrocycles Driven by Self‐Assembly
Authors: Chavez Anton D. , Evans Austin M. , Flanders Nathan C. , Bisbey Ryan P. , Vitaku Edon , Chen Lin X. , Dichtel William R.
Published: February 2018

Macrocycles based on directional bonding and dynamic covalent bond exchange can be designed with specific pore shapes, sizes, and functionality. These systems retain many of the design criteria and desirable aspects of two‐dimensional (2D) covalent organic frameworks (COFs) but are more easily processed. Here we access discrete hexagonal imine‐linked macrocycles by condensing a truncated analogue of 1,3,5‐tris(4‐aminophenyl)benzene (TAPB) with terephthaldehyde (PDA). The monomers first condense into polymers but eventually convert into hexagonal macrocycles in high yield. The high selectivity for hexagonal macrocycles is enforced by their aggregation and crystallization into layered structures with more sluggish imine exchange. Their formation and exchange processes provide new insight into how imine‐linked 2D COF simultaneously polymerize and crystallize. Solutions of these assembled macrocycles were cast into oriented, crystalline films, expanding the potential routes to 2D materials.
Visiting the Limits between a Highly Strained 1‐Zirconacyclobuta‐2,3‐diene and Chemically Robust Dizirconacyclooctatetraene
Authors: Reiß Fabian , Reiß Melanie , Spannenberg Anke , Jiao Haijun , Baumann Wolfgang , Arndt Perdita , Rosenthal Uwe , Beweries Torsten
Published: February 2018

The reaction of the allene precursor Li2(Me3SiC3SiMe3) with [Cp2ZrCl2] (Cp=cyclopentadienyl) was examined. The selective formation of hitherto unknown linear, allene‐bridged dizirconocene complexes [(Cp2ZrCl)2{−μ‐(Me3Si)C3(SiMe3)−}] and [(Cp2Zr)2{−μ‐(Me3Si)C3(SiMe3)−}2] was observed. Upon σ coordination of the allenediyl unit to {Cp2Zr}, pyrophoric Li2(Me3SiC3SiMe3) is tamed stepwise to yield a surprisingly robust 1,5‐dizirconacyclooctatetra‐2,3,6,7‐ene with cumulated double bonds. This complex is unexpectedly inert against moisture, air, water and acetone. Surprisingly, it degrades under MS conditions to give the highly strained 1‐zirconacyclobuta‐2,3‐diene. All compounds isolated have been fully characterised and the molecular structures are discussed. The stability and reactivity of these complexes are rationalised by DFT computations.
Neue Generation von Antikörper‐Wirkstoff‐Konjugaten
Authors: Schumacher Dominik , Helma‐Smets Jonas , Hackenberger Christian , Leonhardt Heinrich
Published: February 2018

Das angehende Spin‐Off Tubulis entwickelt einzigartige Technologien für die Funktionalisierung von Biomolekülen mit besonderem Potenzial für die Herstellung von Antikörper‐Wirkstoff‐Konjugaten, (engl.: Antibody Drug Conjugates, ADCs). ADCs sind große Hoffnungsträger der Pharmazeutischen Industrie im Kampf gegen Krebs. Sie liefern chemotherapeutische Medikamente (Toxine) zielgerichtet an Krebszellen ab und vermeiden somit im Vergleich zur klassischen Chemotherapie mögliche Nebenwirkungen im gesunden Gewebe. Bisherige ADCs bleiben jedoch hinter den Erwartungen zurück. Das will Tubulis ändern.
Evaporation of the Nerve Agent GB From Common Matrices: A Model‐System Study
Authors: Columbus Ishay , Marcovitch Itzhak , Elias Shlomi , Yehezkel Lea , Marder Dana , Nahum Victoria
Published: February 2018

The measurement of a temperature‐dependent volatilization rate of the nerve agent GB (sarin) from various common matrices, using a laboratory‐designed wind tunnel (model system), is described. Small GB droplets are dispersed on the matrices surfaces, and samples are collected from the model system and analyzed utilizing a solid phase extraction/gas chromatography analytical method. Profiles demonstrating the vapor concentrations as a function of time are calculated. The results indicate that asphalt blocks relatively conserve GB, exhibiting a slow‐release mode of action over at least 2 weeks. Nevertheless, using standard decontamination procedures such as super tropical bleach may prevent this secondary evaporation risk. The concentration profile of commercial sidewalk bricks show a moderate decay, probably due to the existence of basic sites in the cement‐containing bricks. Fast clearance of GB is measured from smooth surface tiles, as these porous tiles both adsorb and/or degrade GB droplets very quickly.
Requirements capture for colour information for design professionals
Authors: Won Seahwa , Westland Stephen
Published: February 2018

This article presents the results of a study that investigates the status of colour information use in the design process and generates ideas for a colour tool. Face‐to‐face interviews with senior designers and brand managers from the packaging and branding fields were conducted as the primary data collection method. The results are categorized into six topics: colour decision, types of colour information considered to be important in the design process, reasons for considering colour information important in the design process, current use of colour information, design professionals' preferences for existing colour tool types and data types and suggestions for a colour tool. It is concluded that there are problems with existing colour resources and tools regarding their availability and usefulness; there is a strong demand for a colour tool in the packaging design and branding processes. The insight from this work will help researchers, design professionals and colour tool developers to make informed decisions on the areas on which they should focus, how they should do so and why. This will facilitate better provisions and uptake of useful colour information for design professionals in the design process and strategy fields.
Apparel color preferences for different regions in China: The connection to personal values
Authors: Xing Xue , Gu Wen , Liu Xiaogang
Published: February 2018

This article examines the associations between personal values and apparel color preferences, and deduces the apparel color preferences of consumers based on the mainstream values in different regions in China. Clustering analysis was used to classify the values, and a Chi‐square test was used to verify whether the different values had a significant effect on the consumer's color preferences. Finally, a corresponding analysis was conducted to clarify the associations between personal values and apparel color preferences. The associations reported in the study suggest the apparel color preferences in the 4 major urban agglomerations in China. It was found that consumers in the Pearl River Delta region were mainly ideal‐oriented and authority value types and preferred darker apparel colors than other city groups in China; consumers in the Yangtze River Delta region were mainly responsibility‐oriented and justice value types and preferred warmer and more contrasting colors; and consumers in the Beijing–Tianjin–Hebei and Chengdu–Chongqing regions were mainly benevolence‐oriented value types, preferring more highly saturated and brighter colors than the other regions. Self‐oriented consumers, who preferred cool and dark apparel colors were found to have no clear correspondence to any region. These results are important for fashion designers and fashion brands in China; it can assist the Chinese fashion industry in regionalizing their product offerings and in providing a theoretical reference for the development of the garment industry.
Pharmacokinetic Drug Interaction Study of Bazedoxifene and Ibuprofen
Authors: McKeand William , Baird‐Bellaire Susan , Ermer James , Patat Alain
Published: February 2018

The purpose of this article was to evaluate the potential for a pharmacokinetic interaction between bazedoxifene and ibuprofen. In a randomized crossover study, 12 healthy postmenopausal women (aged 45–65 years) received either a single oral dose of ibuprofen (600‐mg tablet), bazedoxifene (20‐mg capsule), or both ibuprofen and bazedoxifene during the 3 treatment periods. Serial blood samples were collected for pharmacokinetic analyses. There was no relationship between the UGT1A1 genotype and bazedoxifene clearance. The 90% log‐transformed confidence intervals (CIs) for bazedoxifene Cmax, 96% to 144%, and AUC, 85% to 134%, were slightly above the bioequivalence limits of 80% to 125%. The 90% log‐transformed CIs for ibuprofen pharmacokinetic parameters were within these limits (Cmax, 92%–122%; AUC, 94%–106%). The increase in bazedoxifene plasma concentrations when combined with ibuprofen versus bazedoxifene alone is unlikely to be clinically significant. The lack of interaction between bazedoxifene and ibuprofen suggests that they may be coadministered without dose adjustment.
A speculative parallel simulated annealing algorithm based on Apache Spark
Authors: Wang Zhoukai , Zhao Yinliang , Liu Yang , Lv Cuocuo
Published: February 2018

Simulated annealing (SA) is an effective method for solving unconstrained optimization problems and has been widely used in machine learning and neural network. Nowadays, in order to optimize complex problems with big data, the SA algorithm has been implemented on big data platform and obtains a certain speedup. However, the efficiency for such implementation is still limited because the conventional SA algorithm still runs with low parallelism on new platforms and the computing resource cannot be fully utilized. For these problems, this paper raised a speculative parallel SA algorithm based on Apache Spark to expand the algorithm's parallelism and enhance its efficiency. In this paper, first, the inner dependencies, which stop conventional algorithm, run in parallel, are analyzed. Then, based on the analysis, the Software Thread‐Level Speculation technique is employed to help the conventional algorithm overcome the dependencies and make it run concurrently. Finally, a new parallel SA algorithm with speculation mechanism is proposed and implemented on Apache Spark. The experiments show that, for big data problems, the proposed algorithm could achieve an optimal parallelism when comparing the traditional algorithm without speculation on Apache Spark. Moreover, the execution efficiency of simulated annealing process can be markedly enhanced by the proposed algorithm.
Non‐minimal adaptive routing based on explicit congestion notifications
Authors: Benito Mariano , Vallejo Enrique , Izu Cruz , Beivide Ramón
Published: February 2018

Low‐diameter networks require non‐minimal adaptive routing to deal with varying traffic characteristics and avoid pathological performance. Such routing is based on local estimations of network congestion, based on link‐level flow control credits. Dragonfly networks based on the extensions of commodity Ethernet networks using OpenFlow have been proposed for large HPC deployments with low power consumption. However, this network technology does not implement credit‐based flow control. This work explores a range of routing solutions based on exploiting explicit congestion notification messages (in particular, 802.1Qau) to adapt the number of packets using non‐minimal paths. The design (denoted QCN‐Switch) associates a probability value to each output port. This value is updated to reflect downstream congestion and used to statistically divert traffic away from congested areas when the load is uneven, as in the case of adversarial traffic. A feedback comparison variant is designed to separate the cases of uniform traffic at saturation and adversarial traffic at low loads. Evaluation results show that QCN‐Switch is a competitive design for both the uniform traffic and adversarial traffic. Furthermore, it is able to react to changes in traffic conditions in 0.4 ms or less. A sensitivity analysis identifies the best configuration and shows its performance trade‐offs.
Benefits of and Barriers to Pharmacogenomics‐Guided Treatment for Major Depressive Disorder
Authors: Ahmed Ahmed T. , Weinshilboum Richard , Frye Mark A.
Published: February 2018

Antidepressants have reduced the symptom burden for many Major Depressive Disorder (MDD) patients, but drug‐related side effects and treatment resistance continue to present major challenges. Pharmacogenomics represents one approach to enhance antidepressant efficacy and avoid adverse reactions, but concerns remain with regard to the overall “value equation,” and several barriers must be overcome to achieve the full potential of MDD pharmacogenomics.
Impact of a new general form of friction and thermal forces on SOLPS‐ITER modelling results
Authors: Sytova E. , Kaveeva E. , Rozhansky V. , Senichenkov I. , Voskoboynikov S. , Coster D. , Bonnin X. , Pitts R.A.
Published: February 2018

The SOLPS‐ITER transport code was released in 2015 on the basis of older versions of SOLPS and the EIRENE Monte Carlo code for neutrals. In the parallel momentum balance equations of this first release, each of the ion species was combined with the parallel momentum balance for electrons so as to eliminate the electric field term. In doing so, the expressions for the thermal and friction forces were approximated for simplification. Such approximations break down for multi‐component plasma modelling. It was subsequently proposed to return to solving the original (Braginskii) ion momentum balance equations, with the electric field term included, and with more accurate treatment of friction and thermal force terms, although the treatment of these terms still assumed trace impurities. In the present work, more general expressions for the friction and thermal forces, valid for high impurity densities (zeff − 1 > 1 at the separatrix), are suggested. This new form for the force terms within the Braginskii equation has now been implemented in SOLPS‐ITER and has been tested through the use of simulation test cases of nitrogen‐seeded scenarios in ASDEX Upgrade geometry, with drifts and currents switched on. This paper discusses the effect of the new form of the terms in the Braginskii equation, emphasizing the differences with the trace impurity approach. It demonstrates that the latter already begins to fail in simulations for which zeff = 1.5. The influence of the transition from the old form of the momentum balance equation to the new general Braginskii formulation with corrected friction and thermal force terms is demonstrated by comparing SOLPS‐ITER ASDEX Upgrade simulations employing both descriptions.
Impact of quantum non‐locality and electronic non‐ideality on e–He scattering in a dense plasma
Authors: Ramazanov Tlekkabul S. , Amirov Samat M. , Moldabekov Zhandos A.
Published: February 2018

The screened Hartree–Fock potential and the polarization potential for the description of the electron–helium scattering in dense plasmas are derived. The effects of quantum non‐locality and correlations of free electrons are taken into account in the plasma dielectric function. Plasma polarization leads to a significant increase in the transport cross‐section at small wave numbers ka < 2 in comparison with the case of an electron scattering on the isolated atom, where a is the mean distance between plasma electrons. It is shown that taking into account the quantum non‐locality and correlations is important at ka < 2.
Combined effects of peer presence, social cues, and rewards on cognitive control in adolescents
Authors: Breiner Kaitlyn , Li Anfei , Cohen Alexandra O. , Steinberg Laurence , Bonnie Richard J. , Scott Elizabeth S. , Taylor‐Thompson Kim , Rudolph Marc D. , Chein Jason , Richeson Jennifer A. , Dellarco Danielle V. , Fair Damien A. , Casey B. J. , Galván Adriana
Published: February 2018

Developmental scientists have examined the independent effects of peer presence, social cues, and rewards on adolescent decision‐making and cognitive control. Yet, these contextual factors often co‐occur in real world social situations. The current study examined the combined effects of all three factors on cognitive control, and its underlying neural circuitry, using a task to better capture adolescents' real world social interactions. A sample of 176 participants ages 13–25, was scanned while performing an adapted go/no‐go task alone or in the presence of a virtual peer. The task included brief positive social cues and sustained periods of positive arousal. Adolescents showed diminished cognitive control to positive social cues when anticipating a reward in the presence of peers relative to when alone, a pattern not observed in older participants. This behavioral pattern was paralleled by enhanced orbitofrontal activation. The results demonstrate the synergistic impact of social and reward influences on cognitive control in adolescents.
Microgeographic morphological variation across larval wood frog populations associated with environment despite gene flow
Authors: Zellmer Amanda J.
Published: February 2018

Gene flow has historically been thought to constrain local adaptation; yet, recent research suggests that populations can diverge despite exchanging genes. Here I use a common garden experiment to assess the combined effects of gene flow and natural selection on morphological variation of 16 wood frog (Rana sylvatica) populations, a species known to experience divergent selection pressures in open‐ and closed‐canopy ponds across relatively small geographic scales. Wood frog tadpoles from different ponds showed significant morphological variation associated with canopy type with a trade‐off between tail length and body depth consistent with previous research. In contrast, neutral genetic differentiation of nine microsatellite loci as measured by Jost's D was not associated with canopy type, indicating no pattern of isolation by environment. Genetic structure analyses indicated some substructure across the 16 ponds (K = 4); however, three out of four assigned clusters included both open‐ and closed‐canopy ponds. Together, these results suggest that morphological divergence among these wood frog populations is occurring despite gene flow and that selection within these environments is strong. Furthermore, morphological variation among ponds differed across two sampling periods during larval development, demonstrating the importance of evaluating phenotypic divergence over multiple time periods and at a time relevant to the processes being studied.
Strong indication of an extinction‐based saturation of the flora on the Pacific Robinson Crusoe Islands
Authors: Greimler Josef , Schulze Christian H. , López Sepúlveda Patricio , Novoa Patricio , Gatica Alejandro , Reiter Karl , Wessely Johannes , Baeza Carlos , Peñailillo Patricio , Ruiz Eduardo , Stuessy Tod
Published: February 2018

Oceanic islands are vulnerable ecosystems and their flora has been under pressure since the arrival of the first humans. Human activities and both deliberately and inadvertently introduced biota have had and continue to have a severe impact on island endemic plants. The number of alien plants has increased nearly linearly on many islands, perhaps resulting in extinction‐based saturation of island floras. Here, we provide evidence for such a scenario in Alejandro Selkirk, Robinson Crusoe Islands (Archipelago Juan Fernández, Chile). We compared species richness and species composition of historical vegetation samples from 1917 with recent ones from 2011. Changes in species’ relative occurrence frequency were related to their taxonomic affiliation, dispersal mode, distribution status, and humidity and temperature preferences. While total species richness of vascular plants remained relatively similar, species composition changed significantly. Plants endemic to the Robinson Crusoe Islands declined, exotic species increased substantially within the period of ca. 100 years. Further, the relative occurrence frequency of plants with preferences for very warm and humid climate decreased, while the opposite was found for plants preferring drier and colder environments. Potential drivers responsible for this dramatic shift in the vegetation within only one century might have been the large goat population affecting especially small populations of endemic plants and climatic changes. Taking into account a substantial extinction debt, we expect further shifts in the vegetation of this small oceanic island toward alien plants. This would have significant negative consequences on global biodiversity, considering that island floras contribute substantially to global plant species richness due to their high proportion of endemics.
Validation of the Pain Coping Questionnaire in Finnish
Authors: Marttinen M.K. , Santavirta N. , Kauppi M.J. , Pohjankoski H. , Vuorimaa H.
Published: February 2018

Objective

The Pain Coping Questionnaire (PCQ), the first validated pain coping measurement developed specifically for children, has lacked proper validation in Finnish. The original PCQ by Reid et al. (Pain 1998; 76; 83–96) comprises eight‐first‐order and three higher‐order scales. The aim herein was to determine the factor structure and validity of the Finnish PCQ translation in Finnish children.

Methods

Exploratory factor analysis was used for the first‐order and higher‐order classification of 91 recruited patients aged 8–15. Cronbach's alpha was used for reliability. Relationships between the Children's Depression Inventory, patient‐reported pain frequency and pain coping strategies were examined.

Results

Analyses were executed with 38 items; one was excluded. A structure of eight‐first‐order (Internalizing/Catastrophizing [IC], Positive Self‐Statements [PSS], Information Seeking [IS], Seeking Social Support [SSS], Cognitive Distraction [CD], Externalizing [EXT], Behavioural Distraction [BD], Problem Solving [PS]) and three higher‐order scales (Approach [APP], Emotion‐Focused Avoidance [EFA], Distraction [DIS]) proved the most consistent. Four first‐order scales (PSS, CD, EXT, BD) emerged as identical to the original solution. Internal consistency reliability coefficients for all individual first‐ and second‐order scales were satisfactory. A higher CDI score was positively related to EFA and negatively to DIS, and pain frequency positively related to APP and EFA.

Conclusion

The exploratory factor analysis of the PCQ provided a both culturally and statistically satisfactory structure in the Finnish translation. This supports the reliability and validity of the PCQ in future national use and the value of the questionnaire also outside English‐speaking countries.

Significance

This study showed both culturally and statistically satisfactory factor structure of PCQ in the Finnish translation. This result supports reliability and validity of the PCQ in the national use in the future. The result shows that the PCQ is a reliable method to be used in different linguistic and cultural surroundings and, thus, encourages using it in various countries. The data consist of two patient groups, adolescents with JIA and musculoskeletal pain. Pain and specifically coping with pain are important aspects of clinical work. A valid pain coping scale may enhance distinguishing vulnerable pain coping style in children and adolescent before pain becomes chronic.
Thermal pain tolerance and pain rating in normal subjects: Gender and age effects
Authors: Lue Y.‐J. , Wang H.‐H. , Cheng K.‐I. , Chen C.‐H. , Lu Y.‐M.
Published: February 2018

Background

Thermal detection thresholds and thermal pain thresholds are important in quantitative sensory testing. Although they have been well studied for assessing somatosensory function, the investigation of thermal pain tolerance has been insufficient. The aim of this study was to explore the characteristics of thermal pain tolerance and pain ratings in healthy subjects.

Methods

Cold pain tolerance (CPTol) and heat pain tolerance (HPTol) were tested in 213 healthy adults aged 18–81 years recruited from the local community. The thermal detection and thermal pain thresholds were also tested to investigate the association with pain tolerance. The visual analogue scale (VAS) was used for assessing pain severity immediately after the thermal pain and tolerance tests.

Results

The normality of the CPTol and HPTol was acceptable. Most participants rated the pain induced by the CPTol and HPTol testing as moderate. HPTol was lower in women than in men (p = 0.001), but CPTol did not differ between sexes. The pain ratings of CPTol and HPTol did not differ between sexes, but significant age effects were observed. The association of the tolerance temperature with pain ratings was weak, while those of pain ratings for CPTol and HPTol were strong (r = 0.87).

Conclusions

Women were more sensitive to tolerance heat pain stimuli. Younger participants reported more pain for thermal pain and tolerance tests.

Significance

Thermal pain tolerance and pain rating for the thermal pain tolerance temperature depend on gender and age. Women are more sensitive to heat temperatures, young people rate more pain, and the pain ratings of heat and cold are strongly correlated.
Investigating capillary electrophoresis‐mass spectrometry for the analysis of common post‐translational modifications
Authors: Faserl Klaus , Sarg Bettina , Gruber Peter , Lindner Herbert H.
Published: February 2018

Capillary electrophoresis coupled to mass spectrometry is a very efficient analytical method for the analysis of post‐translational modifications because of its high separation efficiency and high detection sensitivity. Here we applied CE‐MS using three differently coated separation capillaries for in‐depth analysis of a set of 70 synthetic post‐translationally modified peptides (including phosphorylation, acetylation, methylation, and nitration). We evaluated the results in terms of peptide detection and separation characteristics and found that the use of a neutrally coated capillary resulted in highest overall signal intensity of singly modified peptides. In contrast, the use of a bare‐fused silica capillary was superior in the identification of multi‐phosphorylated peptides (12 out of 15 were identified). Fast separations of approximately 12 min could be achieved using a positively coated capillary, however, at the cost of separation efficiency. A comparison to nanoLC‐MS revealed that multi‐phosphorylated peptides interact with the RP material very poorly so that these peptides were either washed out or elute as very broad peaks from the nano column which results in a reduced peptide identification rate (7 out of 15). Moreover, the methods applied were found to be very well suited for the analysis of the acetylated, nitrated and methylated peptides. All 36 synthetic peptides, which exhibit one of those modifications, could be identified regardless of the method applied. As a final step in this study and as a proof of principle, the phosphoproteome enriched from PC‐12 pheochromocytoma cells was analyzed by CE‐MS resulting in 5686 identified and 4088 quantified phosphopeptides. We compared the characterized analytes to those identified by a nanoLC‐MS proteomics study and found that less than one third of the phosphopeptides were identical, which demonstrates the benefit by combining different approaches quite impressively.
Assembly of graphene oxide‐formate dehydrogenase composites by nickel‐coordination with enhanced stability and reusability
Authors: Lin Peng , Zhang Yonghui , Ren Hong , Wang Yixuan , Wang Shizhen , Fang Baishan
Published: February 2018

Featuring unique planar structure, large surface area and biocompatibility, graphene oxide (GO) has been widely taken as an ideal scaffold for the immobilization of various enzymes. In this regard, nickel‐coordinated graphene oxide composites (GO‐Ni) were prepared as novel supporters for the immobilization of formate dehydrogenase. The catalytic activity, stability and morphology were studied. Compared with GO, the enzyme loading capacity of GO‐Ni was enhanced by 5.2‐fold, besides the immobilized enzyme GO‐Ni‐FDH exhibited better thermostability, storage stability and reuse stability than GO‐FDH. GO‐Ni‐FDH retained 40.9% of its initial activity after 3 h at 60°C, and retained 31.4% of its initial relative activity after 20 days’ storage at 4°C. After eight times usages, GO‐Ni‐FDH maintained 63.8% of its initial activity. Mechanism insights of the multiple interactions of enzyme with the GO‐Ni were studied, considering coordination bonds, hydrogen bonds, electrostatic forces, coordination bonds, and etc. A practical and simple immobilization strategy by metal ions coordination for multimeric dehydrogenase was developed.
Epilepsy after perinatal stroke with different vascular subtypes
Authors: Laugesaar Rael , Vaher Ulvi , Lõo Silva , Kolk Anneli , Männamaa Mairi , Talvik Inga , Õiglane‐Shlik Eve , Loorits Dagmar , Talvik Tiina , Ilves Pilvi
Published: February 2018

Objective

With an incidence up to 63 per 100,000 live births, perinatal stroke is an important cause of childhood epilepsy. The aim of the study was to find the prevalence of and predictive factors for epilepsy, and to describe the course of epilepsy in children with perinatal stroke with different vascular subtypes.

Methods

Patients were retrieved from the Estonian Paediatric Stroke Database with follow‐up time at least 24 months. Patients were divided into 5 perinatal stroke syndromes: neonatal arterial ischemic stroke (AIS), neonatal hemorrhagic stroke, neonatal cerebral sinovenous thrombosis, presumed AIS, and presumed periventricular venous infarction.

Results

The final study group included 73 children with perinatal stroke (39 boys). With a median follow‐up time of 8.6 years, epilepsy was diagnosed in 21/73 (29%) children, most of whom had AIS (17/21, 81%). The 18‐year cumulative poststroke epilepsy risk according to the Kaplan‐Meier estimator was 40.8% (95% confidence interval [CI] 20.7–55.9%). The median age at epilepsy diagnosis was 50 months (range 1 month to 18.4 years). Children with neonatal AIS had the highest risk of epilepsy, but children with presumed AIS more often had severe epilepsy syndromes. Cortical lesions (odds ratio [OR] 19.7, 95% CI 2.9–133), and involvement of thalamus (OR 9.8, 95% CI 1.8–53.5) and temporal lobe (OR 8.3, 95% CI 1.8–39.6) were independently associated with poststroke epilepsy.

Significance

The risk for poststroke epilepsy after perinatal stroke depends on the vascular subtype. Patients with perinatal AIS need close follow‐up to detect epilepsy and start with antiepileptic treatment on time.
Encapsulation of real‐time IoT CoAP traffic
Authors: Herrero Rolando
Published: February 2018

The Constrained Application Protocol (CoAP) has been instrumental to the deployment of wireless sensors and actuators in Internet of Things low‐power low‐rate networks. Typically, a large number of such devices interact with a single gateway that routes traffic to servers where complex processing is performed. CoAP provides a highly efficient end‐to‐end mechanism that relies on the User Datagram Protocol for transport, and it is characterized by both low throughput and low latency. Because Internet firewalls typically filter User Datagram Protocol traffic as it traverses from gateways to servers, the use of Transmission Control Protocol (TCP) encapsulation becomes a viable alternative. This solution, however, is negatively affected by network packet loss that, due to TCP inherent retransmissions, severely degrades latency, reducing system responsibility. In this paper, we analyze the effect of TCP‐encapsulated CoAP and propose a mechanism that overcomes these limitations without having to change network topologies or modifying protocol functionality.