bluuebunny/crossref_metadata_2025 huggingface dataset:
Site‐Specific Immobilization of the Peptidoglycan Synthase PBP1B on a Surface Plasmon Resonance Chip Surface
Authors: van't Veer Inge L. , Leloup Nadia O. L. , Egan Alexander J. F. , Janssen Bert J. C. , Martin Nathaniel I. , Vollmer Waldemar , Breukink Eefjan
Published: October 2016

Surface plasmon resonance (SPR) is one of the most powerful label‐free methods to determine the kinetic parameters of molecular interactions in real time and in a highly sensitive way. Penicillin‐binding proteins (PBPs) are peptidoglycan synthesis enzymes present in most bacteria. Established protocols to analyze interactions of PBPs by SPR involve immobilization to an ampicillin‐coated chip surface (a β‐lactam antibiotic mimicking its substrate), thereby forming a covalent complex with the PBPs transpeptidase (TP) active site. However, PBP interactions measured with a substrate‐bound TP domain potentially affect interactions near the TPase active site. Furthermore, in vivo PBPs are anchored in the inner membrane by an N‐terminal transmembrane helix, and hence immobilization at the C‐terminal TPase domain gives an orientation contrary to the in vivo situation. We designed a new procedure: immobilization of PBP by copper‐free click chemistry at an azide incorporated in the N terminus. In a proof‐of‐principle study, we immobilized Escherichia coli PBP1B on an SPR chip surface and used this for the analysis of the well‐characterized interaction of PBP1B with LpoB. The site‐specific incorporation of the azide affords control over protein orientation, thereby resulting in a homogeneous immobilization on the chip surface. This method can be used to study topology‐dependent interactions of any (membrane) protein.
Advancing knowledge about dating violence
Authors: Theobald Delphine , Farrington David P.
Published: October 2016

▪▪▪Copyright © 2016 John Wiley & Sons, Ltd.
Dating violence in teenage girls: parental emotion regulation and racial differences
Authors: Ahonen Lia , Loeber Rolf
Published: October 2016

Background

Teen dating violence (TDV) is a common phenomenon of great public concern. TDV may lead to severe long‐term consequences for victims and offenders, and even more so for females than for males.

Aim

The aim of this paper is to investigate possible underlying factors for involvement in TDV either as a perpetrator or a victim. Social learning theory is commonly used to explain internalisation of parents' behaviour on children's behavioural expressions, but less so on parents' emotion regulation as a direct link to later TDV.

Method

We used longitudinal data from the Pittsburgh Girls Study (N = 2450) to investigate if and how parents' positive and negative emotion regulation is related to TDV, controlling for early aggression and race.

Results

Results show a moderately strong association between parents' negative emotion regulation and their daughters' involvement in serious dating violence. We also found that many more African American girls were involved in TDV compared to Caucasian girls, both as a perpetrator and victim.

Conclusions and practical implications

We discuss directions for future research focusing on emotion regulation and dating violence. Copyright © 2016 John Wiley & Sons, Ltd.
Risk assessments for dating violence in mid to late adolescence and early adulthood
Authors: Tapp James , Moore Estelle
Published: October 2016

Aim

The objective of this paper is to review risk instruments that have been used in the assessment of the potential for violence within the dating relationships of young people.

Method

A review of the dating violence literature was conducted to identify risk assessment approaches that have been used to predict harmful behaviour within the dating relationships of people aged between 15 and 30 years. Risk assessments were evaluated on recommended quality criteria: predictive validity, accuracy (sensitivity and specificity) and inter‐rater reliability.

Results

Only five studies describing assessments that focused specifically on dating violence risk factors were selected for review. Three assessments encompassed dating behaviours by victims that have been associated with an increased risk of further victimisation.

Conclusions

Drawing on this evidence, we conclude that young people appear to be at greater risk of encountering dating violence if they have experienced violence in earlier attachment relationships; if their skills for coping with conflict and responding to coercion are limited and if the presence of peer influences reinforces offence supportive attitudes. The reliability and validity of existing intimate partner violence risk assessments that conceptually overlap with elements of dating violence risk warrant investigation to inform risk assessment developments in this field and, building on this, possible interventions to minimise future harm. Copyright © 2016 John Wiley & Sons, Ltd.
Effects of child abuse, adolescent violence, peer approval and pro‐violence attitudes on intimate partner violence in adulthood
Authors: Herrenkohl Todd I. , Jung Hyunzee
Published: October 2016

Background

Children's exposure to violence increases their risk for later victimisation and perpetration of intimate partner violence (IPV). However, the relative influence of child abuse, adolescent violence, peer approval of violence and pro‐violence attitudes on later IPV is not well established.

Aims

Analyses focus on the prediction of adult IPV from variables measured in childhood and adolescence to establish the unique influence of earlier victimisation and perpetration of violence, as well as other variables grounded in theory and empirical findings.

Methods

Data are from a longitudinal study that began in the 1970s with a sample of 457 preschool‐aged children who were reassessed as adults. Outcomes of adult IPV victimisation and perpetration types were regressed on predictors of parent‐reported child abuse, officially recorded child maltreatment, adolescent victimisation, violence perpetration, pro‐violence attitudes and peer approval of violence during adolescence, controlling for childhood Socio Economic Status (SES), age in adolescence and gender.

Results

Dating violence victimisation and peer approval of dating violence in adolescence emerged as the unique predictors of IPV victimisation and perpetration in adulthood. Official child maltreatment predicted IPV perpetration.

Conclusions

Results underscore the importance of prevention programmes and strategies to disrupt the cycle of violence at its early stages, as well as interventions during adolescence targeting peer influences. Copyright © 2016 John Wiley & Sons, Ltd.
Spontaneous perforation of primary gastric B‐cell lymphoma of MALT: a case report and literature review
Authors: El Asmar Antoine , Khattar Fouad , Alam Marianne , El Rassi Ziad
Published: October 2016

Key Clinical Message

Primary gastric lymphoma is a rare malignant tumor that can sometimes present as spontaneous perforation. We present below a case of spontaneous primary gastric lymphoma perforation that was managed in our institution followed by a brief review of the literature and discussion.
Use of Cobalt Polyphthalocyanine and Graphene as Precursors to Construct an Efficient Co9S8/N,S‐G Electrocatalyst for the Oxygen Electrode Reaction in Harsh Media
Authors: Ma Xiu‐Xiu , Su Yan , He Xing‐Quan
Published: October 2016

The oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) are fundamental reactions connected with energy conversion and/or storage devices. However, the sluggish kinetics of the ORR and OER reduce the efficiency. To address these issues, the development of efficient and robust electrode catalysts is required desperately. Herein, a new Co9S8 nanocrystal hybrid anchored on a N‐ and S‐dual‐doped graphene (Co9S8/N,S‐G) was prepared by a two‐step method, namely, a π–π assembly process of p‐phenyl‐bis(3,4‐dicyanophenyl)thioether cobalt polyphthalocyanine (PTCoPPc) and graphene oxide and a pyrolysis procedure. Electrochemical studies demonstrated that Co9S8(800)/N,S‐G exhibited a comparable ORR performance with 20 wt % Pt/C, such as an onset potential and a half‐wave potential of 0.931 and 0.811 V vs. the reversible hydrogen electrode, respectively, a limiting current density of 5.207 mA cm−2, and a good long‐term stability with a current retention of 92.6 % after 10 000 s continuous measurements. Co9S8(900)/N,S‐G displayed an excellent OER activity, which was ascribed to the presence of pyridinic N, graphitic N, and the occupation of Co−N to catalyze the ORR; and the oxygen adsorption on the surface of Co9S8(900)/N,S‐G contributed significantly to the OER activity. The approach developed here offered a new strategy to construct efficient oxygen electrode catalysts.
Suppression of the Aromatic Cycle in Methanol‐to‐Olefins Reaction over ZSM‐5 by Post‐Synthetic Modification Using Calcium
Authors: Yarulina Irina , Bailleul Simon , Pustovarenko Alexey , Martinez Javier Ruiz , Wispelaere Kristof De , Hajek Julianna , Weckhuysen Bert M. , Houben Klaartje , Baldus Marc , Van Speybroeck Veronique , Kapteijn Freek , Gascon Jorge
Published: October 2016

The front cover artwork for Issue 19/2016 is provided by researchers from the Catalysis Engineering group at TU Delft (The Netherlands). The image shows that after impregnation with Ca, ZSM‐5 becomes a “super‐catalyst”, which is able to suppress formation of aromatics thus increasing selectivity to the desired propylene in MTO reaction. See the Full Paper itself at http://dx.doi.org/10.1002/cctc.201600650.
Redox‐Active M8L6 Cubic Hosts with Tetraphenylethylene Faces Encapsulate Organic Dyes for Light‐Driven H2 Production
Authors: Yang Linlin , Jing Xu , He Cheng , Chang Zhiduo , Duan Chunying
Published: October 2016

The design of artificial systems that mimic highly evolved and finely tuned natural enzymes is a promising subject of intensive research. The assembly of O‐symmetric cubic structures with an Fe8L6 formula was reported through the direct combination of a C4‐symmetric tetraphenylethylene‐based ligand with a C3‐symmetric tris(bipyridine)iron node. The robust metal–organic cubes are rich in π‐electron density and provide favorable interactions with planar polycyclic aromatic hydrocarbons. Within the confined space of the host, the aromatic hydrocarbons molecules are forced closer to the redox active host, and the photoinduced electron transfer (PET) is modified into a pseudo‐intramolecular pathway. These iron vertices within the cubes exhibit suitable redox potential for electrochemical reduction of protons and the well‐modified PET is further tailored to create artificial systems for light‐driven hydrogen evolution from water through the encapsulation of fluorescein dyes. Control experiments based on a mononuclear compound resembling the iron corner of the octahedron suggest an enzymatic dynamic behavior. The new, well‐elucidated reaction pathways and the increased molarity of the reaction within the confined space render these supramolecular systems superior to other relevant systems.
Freezing the Dynamic Gap for Selectivity: Motion‐Based Design of Inhibitors of the Shikimate Kinase Enzyme
Authors: Prado Verónica , Lence Emilio , Thompson Paul , Hawkins Alastair R. , González‐Bello Concepción
Published: October 2016

Shikimate kinase (SK), the fifth enzyme of the aromatic amino acid biosynthesis, is a recognized target for antibiotic drug discovery. The potential of the distinct dynamic apolar gap, which isolates the natural substrate from the solvent environment for catalysis, and the motion of Mycobacterium tuberculosis and Helicobacter pylori SK enzymes, which was observed by molecular dynamics simulations, was explored for inhibition selectivity. The results of the biochemical and computational studies reveal that the incorporation of bulky groups at position C5 of 5‐aminoshikimic acid and the natural substrate enhances the selectivity for the H. pylori enzyme due to key motion differences in the shikimic acid binding domain (mainly helix α5). These studies show that the less‐exploited motion‐based design approach not only is an alternative strategy for the development of competitive inhibitors, but could also be a way to achieve selectivity against a particular enzyme among its homologues.
Natural Abundance 15N and 13C Solid‐State NMR Chemical Shifts: High Sensitivity Probes of the Halogen Bond Geometry
Authors: Cerreia Vioglio Paolo , Catalano Luca , Vasylyeva Vera , Nervi Carlo , Chierotti Michele R. , Resnati Giuseppe , Gobetto Roberto , Metrangolo Pierangelo
Published: October 2016

Solid‐state nuclear magnetic resonance (SSNMR) spectroscopy is a versatile characterization technique that can provide a plethora of information complementary to single crystal X‐ray diffraction (SCXRD) analysis. Herein, we present an experimental and computational investigation of the relationship between the geometry of a halogen bond (XB) and the SSNMR chemical shifts of the non‐quadrupolar nuclei either directly involved in the interaction (15N) or covalently bonded to the halogen atom (13C). We have prepared two series of X‐bonded co‐crystals based upon two different dipyridyl modules, and several halobenzenes and diiodoalkanes, as XB‐donors. SCXRD structures of three novel co‐crystals between 1,2‐bis(4‐pyridyl)ethane, and 1,4‐diiodobenzene, 1,6‐diiodododecafluorohexane, and 1,8‐diiodohexadecafluorooctane were obtained. For the first time, the change in the 15N SSNMR chemical shifts upon XB formation is shown to experimentally correlate with the normalized distance parameter of the XB. The same overall trend is confirmed by density functional theory (DFT) calculations of the chemical shifts. 13C NQS experiments show a positive, linear correlation between the chemical shifts and the C−I elongation, which is an indirect probe of the strength of the XB. These correlations can be of general utility to estimate the strength of the XB occurring in diverse adducts by using affordable SSNMR analysis.
Room‐Temperature Synthesis of Covalent Organic Frameworks with a Boronic Ester Linkage at the Liquid/Solid Interface
Authors: Liu Chunhua , Yu Yanxia , Zhang Wei , Zeng Qingdao , Lei Shengbin
Published: October 2016

With various prospected applications in the field of nanoelectronics and catalysis, on‐surface synthesis of single‐layer covalent organic frameworks (surface COFs) with designable structures and properties have attracted enormous interest. Herein, we report on a scanning tunneling microscopic investigation of the surface‐confined synthesis of a covalently bonded boronic ester network directly at the octanoic acid/ highly oriented pyrolytic graphite(HOPG) interface under room temperature. The dynamic reaction process was investigated in detail. STM results indicate that the surface networks undergo structural evolution from a hybrid covalent/noncovalent multiwall porous network to single‐wall hexagonal COF with the decrease of monomer concentration. Further experimental observation disclosed that the boronic ester‐linked system is sensitive to instantaneous voltage pulses and the stimulation of the STM tip. In addition, the 1H NMR spectra has further confirmed that the surface and octanoic acid may play important roles in promoting the reaction between 4,4′‐phenylazobenzoyl diboronic acid (ABBA) and 2,3,6,7,10,11‐hexahydroxytriphenylene (HHTP) building units.
m‐Methoxy Substituents in a Tetraphenylethylene‐Based Hole‐Transport Material for Efficient Perovskite Solar Cells
Authors: Wu Fei , Liu Jianlin , Wang Gang , Song Qunliang , Zhu Linna
Published: October 2016

Three tetrapheynlethylene derivatives (N,N‐di(4‐methoxyphenyl)aminophenyl‐substituted tetraphenylethylene; TPE‐4DPA) with different methoxy positions (pp‐, pm‐, and po‐) have been synthesized and characterized. The methoxy groups can control the oxidation potential of the materials, and the electronic properties of the derivatives were affected by the position of the methoxy substituents. These compounds were synthesized in a facile and cost‐effective way, and were applied as hole‐transport materials in perovskite solar cells. The corresponding cell performances were compared with respect to their structure modifications, and it was found that the derivative with m‐OMe substituents showed the highest power conversion efficiency (PCE) of 15.4 %, with a Jsc value of 20.04 mA cm−2, a Voc value of 1.07 V, and a fill factor (FF) value of 0.72, which is higher than the p‐OMe and o‐OMe substituents. Moreover, the PCE of pm‐TPE‐4DPA is comparable with that of the state‐of‐the‐art 2,2′,7,7′‐tetrakis(N,N′‐di‐p‐methoxyphenylamine)‐9,9′‐spirobifluorene under identical conditions.
Does Topology Dictate the Incidence of the Twist‐Bend Phase? Insights Gained from Novel Unsymmetrical Bimesogens
Authors: Mandle Richard J. , Goodby John W.
Published: October 2016

We prepared a significant number of unsymmetrical liquid‐crystalline dimers that exhibit the twist‐bend nematic phase; a state of matter that exhibits spontaneous breaking of mirror symmetry and, for some materials, a microsecond electrooptic response. A number of novel unsymmetrical bimesogens were synthesized and in comparing their thermal behaviour to previous literature examples, we have uncovered an unexpected relationship between the thermal stability of the nematic and NTB phases. This relationship demonstrates that molecular shape dictates the incidence of this fascinating phase of matter and leads us to speculate as to the existence of “twist‐bend nematic phases” on length scales beyond those of the molecule.
Carbon Nanotube/Boron Nitride Nanocomposite as a Significant Bifunctional Electrocatalyst for Oxygen Reduction and Oxygen Evolution Reactions
Authors: Patil Indrajit M. , Lokanathan Moorthi , Ganesan Balakrishnan , Swami Anita , Kakade Bhalchandra
Published: October 2016

It is an immense challenge to develop bifunctional electrocatalysts for oxygen reduction reactions (ORR) and oxygen evolution reactions (OER) in low temperature fuel cells and rechargeable metal–air batteries. Herein, a simple and cost‐effective approach is developed to prepare novel materials based on carbon nanotubes (CNTs) and a hexagonal boron nitride (h‐BN) nanocomposite (CNT/BN) through a one‐step hydrothermal method. The structural analysis and morphology study confirms the formation of a homogeneous composite and merging of few exfoliated graphene layers of CNTs on the graphitic planes of h‐BN, respectively. Moreover, the electrochemical study implies that CNT/BN nanocomposite shows a significantly higher ORR activity with a single step 4‐electron transfer pathway and an improved onset potential of +0.86 V versus RHE and a current density of 5.78 mA cm−2 in alkaline conditions. Interestingly, it exhibits appreciably better catalytic activity towards OER at low overpotential (η=0.38 V) under similar conditions. Moreover, this bifunctional catalyst shows substantially higher stability than a commercial Pt/C catalyst even after 5000 cycles. Additionally, this composite catalyst does not show any methanol oxidation reactions that nullify the issues due to fuel cross‐over effects in direct methanol fuel cell applications.
Twisted Polycyclic Arenes from Tetranaphthyldiphenylbenzenes by Controlling the Scholl Reaction with Substituents
Authors: Yang Yong , Yuan Luyan , Shan Bowen , Liu Zhifeng , Miao Qian
Published: October 2016

Herein, we report two new types of twisted polycyclic arenes (2 a, b and 3 a, b) with constitutionally isomeric π‐backbones, which are synthesized by controlling the Scholl reaction of 1,2,4,5‐tetra(naphth‐2‐yl)‐3,6‐diphenylbenzene (1) with properly positioned electron‐donating substituents. With a polycyclic backbone containing two [5]helicene and four [4]helicene moieties, 2 a and b are new members of multiple helicenes with interesting stereochemistries. The as‐synthesized 2 a and b are the twisted isomers, and thermal isomerization of twisted‐2 b results in anti‐2 b, a more stable stereoisomer. Both twisted‐ and anti‐2 b have been fully characterized, and the thermal isomerization of twisted‐2 b has been studied with 1H NMR spectroscopy and DFT calculations. Compounds 3 a and b are new members of twistacenes, the benzannulated pentacene backbone of which exhibits an end‐to‐end twist as found from the crystal structure. Twisted‐ and anti‐2 b are also found to function as p‐type semiconductors in solution‐processed thin film transistors, whereas the thin films of 3 b appear insulating presumably due to the lack of π–π interactions.
Analysis for effects of electrolyte level on energy consumption in magnesium electrolysis by finite element method
Authors: Sun Ze , Cai Liwei , Liu Chenglin , Lu Guimin , Yu Jianguo
Published: October 2016

In the process of magnesium electrolysis, increasing the level of electrolyte can reduce the cell voltage and energy consumption in an electrolysis magnesium cell. In this paper, a three‐dimensional model of a full cell was implemented to study the relationship between the cell voltage and electrolyte level in a magnesium electrolysis cell. Firstly, the resistance voltage of difference current intensity in magnesium electrolysis cells were discussed with the electrolyte depth from 1.25 to 1.45 m. Moreover, the size of anodes and positions of anodes and cathodes were changed to investigate the trend of resistance voltage in the cell. The energy consumption in each part of the electrolyte was integrated to further understand the energy distribution in the electrolyte to explore which part of the electrolyte has the greatest contribution to the cell voltage. Through analyzing components of the cell voltage, energy distribution, and thermal balance, the explanation of the relationship between electrolyte level and energy consumption can be obtained.
PEN: a power law–enhanced network design for high efficiency multicore architecture
Authors: Xu Thomas Canhao , Leppänen Ville
Published: October 2016

We propose a heterogeneous on‐chip interconnection aiming at high efficiency multicore processors. An ideal on‐chip interconnection should have low latency, high throughput, low power consumption, and high scalability. However, these metrics are usually contradictory with each other. Besides, a design should focus on the requirements of real applications. We investigate the characteristics of several parallel applications. It is found that the distribution of traffic is similar as the power law. We also discovered hot spot traffic, as well as bursty traffic from applications. Meanwhile, the average injection rate of parallel applications is relatively low. The proposed network is based on a dual‐net concentrated mesh, where 2 physical networks are implemented for processing different messages and improve throughput. A diagonal interconnection is used in the central part of the network for alleviating the traffic hot spot without significant hardware overhead. We evaluate the proposed design with synthetic traffic and real applications by using a simulator. Results indicate that, on average for 8 applications, the network latency of the proposed design has reduced by 32% compared with regular mesh. Concerning efficiency when executing applications, the average energy delay product of the proposed design is 52.7% and 29.7% better than mesh and concentrate mesh, respectively.
Genetic‐Algorithm‐Based Optimization of a Peptidic Scaffold for Sequestration and Hydration of CO2
Authors: Brunk Elizabeth , Perez Marta A. S. , Athri Prashanth , Rothlisberger Ursula
Published: October 2016

Biomimicry is a strategy that makes practical use of evolution to find efficient and sustainable ways to produce chemical compounds or engineer products. Exploring the natural machinery of enzymes for the production of desired compounds is a highly profitable investment, but the design of efficient biomimetic systems remains a considerable challenge. An ideal biomimetic system self‐assembles in solution, binds a desired range of substrates and catalyzes reactions with turnover rates similar to the native system. To this end, tailoring catalytic functionality in engineered peptides generally requires site‐directed mutagenesis or the insertion of additional amino acids, which entails an intensive search across chemical and sequence space. Here we discuss a novel strategy for the computational design of biomimetic compounds and processes that consists of a) characterization of the wild‐type and biomimetic systems; b) identification of key descriptors for optimization; c) an efficient search through sequence and chemical space to tailor the catalytic capabilities of the biomimetic system. Through this proof‐of‐principle study, we are able to decisively understand and identify whether a given scaffold is useful, appropriate and tailorable for a given, desired task.
AQM scheme design for TCP network via Takagi‐Sugeno fuzzy method
Authors: Xu Sheng , Fei Minrui , Yang Xinhao , Wu Liqin
Published: October 2016

This paper proposes a novel T‐S fuzzy control method instead of the traditional linear system control method to improve the TCP network performance. Thus a TCP network can be modeled as a T‐S fuzzy system, and by use of linear matrix inequality method and cone complementarity linearization algorithm, a fuzzy state feedback controller is provided while considering the problem of the asynchronous membership grades between the controller and the plant. Simulation results are presented to show that the proposed control approach can guarantee the asymptotical stability of the studied system and the desired queue size. © 2016 Wiley Periodicals, Inc. Complexity 21: 606–612, 2016
Perceived and Actual Effectiveness of Coping Strategies Used When Forgiving
Authors: Jeter Whitney K. , Brannon Laura A.
Published: October 2016

This study examined coping strategies that young adults use when forgiving and the perceived and actual effectiveness of these strategies in predicting forgiveness behaviors. Results showed that participants used positive reinterpretation/growth and active coping most and perceived these 2 strategies as being effective when forgiving. Although positive reinterpretation/growth did predict forgiveness behaviors, active coping did not, which suggests that young adults may not be aware of the most effective coping strategies for forgiving others. Contributions of the study, including results on the coping strategies that predict forgiveness behaviors, are discussed.
A Decision‐Making Model for Addressing Problematic Behaviors in Counseling Students
Authors: Letourneau Jade L. H.
Published: October 2016

Gatekeeping is the subject of continued discourse in the counseling profession. With revisions to the ACA Code of Ethics (American Counseling Association, ), recent litigation (Keeton v. Anderson‐Wiley, ; Ward v. Wilbanks, ), and focused attention on value conflicts in counseling (Francis & Dugger, ), counselor educators' role as gatekeepers is expanding. In addition to this expanding role, counselor educators are responsible for being culturally and developmentally sensitive in interpreting, applying, and enforcing the codes and standards with counseling students. This article proposes a decision‐making model that integrates feminist, multicultural, systems theory, and social‐constructivist ethical decision‐making principles to address problematic behaviors in counseling students.
Comparison of fiducial marker detection and object interaction in activities of daily living utilising a wearable vision sensor
Authors: Shewell C. , Medina‐Quero J. , Espinilla M. , Nugent C. , Donnelly M. , Wang H.
Published: October 2016

This paper presents a comparison between algorithms (Oriented FAST and Rotated BRIEF (ORB) and Aruco) for the detection of fiducial markers placed throughout a smart environment. A series of activities of daily living (ADL) were conducted while monitoring a first‐person perspective of the situation; this was achieved through the usage of the Google Glass platform. Fiducial markers were employed, as a means to assist with the detection of specific objects of interest, within the environment. Each marker was assigned unique Identification (ID) and was used to identify the object. Three activities were performed by a participant within the environment. On subsequent trials of the solution, lighting conditions were modified to assess fiducial marker detection rates on a frame‐by‐frame basis. This paper presents the results from this investigation, detailing performance measure for each object detected under various lighting conditions, motion blur and distance from the objects. An intelligent system was developed to specifically consider distance estimation in order to aid with the filtering out of false interactions. A linear filtering method was applied along with a fuzzy membership function to estimate the degree of user interaction, which assists in removing false positives generated by the occupant. The intelligent system returns an average precision, recall and an F‐Measure of 0.99, 0.62 and 0.49, respectively. Copyright © 2016 John Wiley & Sons, Ltd.
Arbuscular mycorrhizal fungi negatively affect soil seed bank viability
Authors: Maighal Mahmood , Salem Mohamed , Kohler Josef , Rillig Matthias C.
Published: October 2016

Seed banks represent a reservoir of propagules important for understanding plant population dynamics. Seed viability in soil depends on soil abiotic conditions, seed species, and soil biota. Compared to the vast amount of data on plant growth effects, next to nothing is known about how arbuscular mycorrhizal fungi (AMF) could influence viability of seeds in the soil seed bank. To test whether AMF could influence seed bank viability, we conducted three two‐factorial experiments using seeds of three herbaceous plant species (Taraxacum officinale, Dactylis glomerata, and Centaurea nigra) under mesocosm (experiments 1 and 2) and field conditions (experiment 3) and modifying the factor AMF presence (yes and no). To allow only hyphae to grow in and to prevent root penetration, paired root exclusion compartments (RECs) were used in experiments 2 and 3, which were either rotated (interrupted mycelium connection) or kept static (allows mycorrhizal connection). After harvesting, seed viability, soil water content, soil phosphorus availability, soil pH, and hyphal length in RECs were measured. In experiment 1, we used inoculation or not with the AMF Rhizophagus irregularis to establish the mycorrhizal treatment levels. A significant negative effect of mycorrhizal hyphae on viability of seeds was observed in experiments 1 and 3, and a similar trend in experiment 2. All three experiments showed that water content, soil pH, and AMF extraradical hyphal lengths were increased in the presence of AMF, but available P was decreased significantly. Viability of seeds in the soil seed bank correlated negatively with water content, soil pH, and AMF extraradical hyphal lengths and positively with soil P availability. Our results suggest that AMF can have a negative impact on soil seed viability, which is in contrast to the often‐documented positive effects on plant growth. Such effects must now be included in our conceptual models of the AM symbiosis.
Sequencing improves our ability to study threatened migratory species: Genetic population assignment in California's Central Valley Chinook salmon
Authors: Meek Mariah H. , Baerwald Melinda R. , Stephens Molly R. , Goodbla Alisha , Miller Michael R. , Tomalty Katharine M. H. , May Bernie
Published: October 2016

Effective conservation and management of migratory species requires accurate identification of unique populations, even as they mix along their migratory corridors. While telemetry has historically been used to study migratory animal movement and habitat use patterns, genomic tools are emerging as a superior alternative in many ways, allowing large‐scale application at reduced costs. Here, we demonstrate the usefulness of genomic resources for identifying single‐nucleotide polymorphisms (SNPs) that allow fast and accurate identification of the imperiled Chinook salmon in the Great Central Valley of California. We show that 80 well‐chosen loci, drawn from a pool of over 11,500SNPs developed from restriction site‐associatedDNAsequencing, can accurately identify Chinook salmon runs and select populations within run. No otherSNPpanel for Central Valley Chinook salmon has been able to achieve the high accuracy of assignment we show here. This panel will greatly improve our ability to study and manage this ecologically, economically, and socially important species and demonstrates the great utility of using genomics to study migratory species.
Concomitant implantation of Impella® on top of veno‐arterial extracorporeal membrane oxygenation may improve survival of patients with cardiogenic shock
Authors: Pappalardo Federico , Schulte Christian , Pieri Marina , Schrage Benedikt , Contri Rachele , Soeffker Gerold , Greco Teresa , Lembo Rosalba , Müllerleile Kai , Colombo Antonio , Sydow Karsten , De Bonis Michele , Wagner Florian , Reichenspurner Hermann , Blankenberg Stefan , Zangrillo Alberto , Westermann Dirk
Published: October 2016

Aims

Veno‐arterial extracorporeal membrane oxygenation (VA‐ECMO) support stabilizes patients with cardiogenic shock. Despite improved oxygenation and peripheral circulation, LV unloading may be impeded due to the increased afterload, resulting in a failing static left ventricle and in high mortality.

Methods and results

We describe for the first time a large series of patients treated with the combination of VA‐ECMO and Impella® compared with patients with VA‐ECMO only. We retrospectively collected data on patients from two tertiary critical care referral centres. We enrolled 157 patients treated with VA‐ECMO from January 2013 to April 2015: 123 received VA‐ECMO support and 34 had concomitant treatment with VA‐ECMO and Impella. A propensity‐matching analysis was performed in a 2:1 ratio, resulting in 42 patients undergoing VA‐ECMO alone (control group) compared with 21 patients treated with VA‐ECMO and Impella. Patients in the VA‐ECMO and Impella group had a significantly lower hospital mortality (47% vs. 80%, P < 0.001) and a higher rate of successful bridging to either recovery or further therapy (68% vs. 28%, P < 0.001) compared with VA‐ECMO patients. A higher need for continuous veno‐venous haemofiltration (48% vs. 19%, P = 0.02) and increased haemolysis (76% vs. 33%, P = 0.004) were reported in the study group due to higher survival. There was no difference in major bleeding rates between the two groups (VA‐ECMO and Impella 38% vs. VA‐ECMO 29%, P = 0.6).

Conclusions

Concomitant treatment with VA‐ECMO and Impella may improve outcome in patients with cardiogenic shock compared with VA‐ECMO only. Nevertheless, randomized studies are needed to validate these promising results further.
Ferrocene–Triazole Combination as a Benchmark for the Electrochemical Detection of Noncovalent Halogen‐Bonding Interactions
Authors: Zapata Fabiola , Caballero Antonio , Molina Pedro
Published: October 2016

The synthesis and sensing properties of a triferrocene–bis(iodotriazole) are described. In general, halogen‐bonding (XB) receptor 3 undergoes remarkable cathodic shifts of the two redox peaks in the presence of several oxoanions. These perturbations, which are attributable to noncovalent halogen‐bonding interactions, are slightly smaller than those observed for the parent hydrogen‐bonding (HB) receptor 4 with the same oxoanions.
Rhodium and Iridium Fluorido and Bifluorido Complexes Derived from Peroxido Precursors
Authors: Baumgarth Hanna , Meier Gregor , Braun Thomas , Braun‐Cula Beatrice
Published: October 2016

Invited for the cover of this issue is the group of Thomas Braun at Humboldt‐Universität zu Berlin, Germany. The cover image shows the reaction pathways to the bifluorido and difluorido complexes mentioned in the paper.
Palladium‐Catalyzed Acylation of Arenes by 1,2,3‐Triazole‐Directed C–H Activation
Authors: Zhao Fen , Chen Zhen , Liu Yaowen , Xie Kai , Jiang Yubo
Published: October 2016

A facile and efficient method for the regioselective acylation of 1,4‐disubstituted 1,2,3‐triazoles by using a Pd‐catalyzed C–H bond‐activation strategy with tert‐butyl hydroperoxide (TBHP) as an oxidant and an aromatic aldehyde as the acyl source has been developed. This synthetic approach was applied to a wide range of substrates to generate various 1,2,3‐triazole derivatives that contain the diaryl ketone scaffold.
Ruthenium‐Catalyzed Addition of Carboxylic Acids to Propargylic Alcohols: An Easy Route to O‐Dienyl Esters and Their Tandem Atom‐Transfer Radical Polymerization
Authors: Jena Rajesh K. , Das Uttam K. , Ghorai Arijit , Bhattacharjee Manish
Published: October 2016

A ruthenium‐catalyzed one‐pot synthesis of O‐dienyl esters through the regio‐ and stereoselective addition of carboxylic acids to propargylic alcohols, and the atom‐transfer radical polymerisation of the products have been developed. The initial addition reaction takes place through the formation of a carbon–oxygen bond followed by dehydration.
A Metathesis Route to (+)‐Orientalol F, a Guaiane Sesquiterpene from Alisma Orientalis
Authors: Zahel Martin , Wang Yuzhou , Jäger Anne , Metz Peter
Published: October 2016

The synthesis of (+)‐orientalol F (1) started with aldehyde 6, which is available from (R)‐limonene in two steps. Wittig reaction of 6 with unsaturated ylide 7 to give a tetraene, and subsequent ring‐closing metathesis yielded hydroazulene 4, selective epoxidation of which gave epoxy ester 3. After generation of the requisite isopropyl unit and regioselective reductive epoxide opening, the derived dienol 2 was used for the installation of the oxygen bridge through intramolecular oxymercuration followed by oxidative demercuration. The resulting allylic alcohol epimers 15 and 16 were readily converted into the target natural product 1 by oxidation/reduction sequences.
Towards γ‐Rubromycin: Model Studies, Development of a C3 Building Block, and Synthesis of 4′‐Silyl‐γ‐rubromycin
Authors: Wilsdorf Michael , Reissig Hans‐Ulrich
Published: October 2016

The human telomerase inhibitor γ‐rubromycin belongs to a class of natural products, which features a rare [5,6]‐bisbenzannulated spiroketal core as its central structural motif. Also termed “aromatic spiroketals”, these scaffolds pose great challenges to total synthesis. The ideal approach through an acid‐mediated spiroketalization event is demanding, since this transformation is susceptible to even slight electronic alterations on the polyaromatic ring system. Herein, we report our strategy towards this class of natural products, that led to the identification of an electronically well‐balanced spiroketalization precursor and eventually culminated in the preparation of an unnatural 4′‐silyl‐substituted γ‐rubromycin derivative in racemic form. In the course of this study, we additionally introduced a new type of γ‐silylated allylic phosphonate reagents that served as valuable C3 building blocks to forge the spiroketalization precursor in a convergent manner.
ISO 17025 validation of a next‐generation sequencing assay for relationship testing
Authors: Buchard Anders , Kampmann Marie‐Louise , Poulsen Lena , Børsting Claus , Morling Niels
Published: October 2016

The HID‐Ion AmpliSeq™ Identity Panel is a next‐generation sequencing assay with 90 autosomal and 34 Y‐chromosome SNPs that are amplified in one PCR step and subsequently sequenced using the Ion Personal Genome Machine (Ion PGM™) System. This assay was validated for relationship testing in our ISO 17025 accredited laboratory in 2015. Here, the essential parts of the validation report submitted to the Danish Accreditation Fund are presented. A total of 100 unrelated Danes were typed in duplicates and the locus balance, heterozygote balance (Hb) and noise levels were analysed in detail. Two loci were disregarded for casework because genotyping was uncertain. Hb for rs7520386 was skewed and high levels of noise were observed in rs576261. Three general acceptance criteria for analysis of single‐source samples were defined: (i) sequencing depth > 200 reads, (ii) noise level < 3% and (iii) Hb > 0.3. A Python script named SNPonPGM was developed to assist the analyst by highlighting loci that do not fulfil the general acceptance criteria. Furthermore, SNPonPGM has functions that reduce the hands‐on time of the reporting officer to a few minutes per case. Mixtures with DNA from two individuals in a 1:24 ratio were readily identified using the three criteria and the SNPonPGM script.
Comparing single-feeding and multi-feeding approaches for experimentally assessing trophic transfer of metals in fish
Authors: Pouil Simon , Warnau Michel , Oberhänsli François , Teyssié Jean-Louis , Bustamante Paco , Metian Marc
Published: October 2016

Diet is an important pathway for metal uptake in marine organisms, and assimilation efficiency is one of the most relevant parameters to quantify trophic transfer of metals along aquatic food webs. The most commonly used method to estimate this parameter is pulse-chase feeding using radiolabeled food. This approach is, however, based on several assumptions that are not always tested in an experimental context. The present study aimed to validate the approach by assessing single-feeding and multiple-feeding approaches, using a model species (the turbot Scophthalmus maximus). Using the kinetic data obtained from the single-feeding experiment, the reconstruction of a multi-feeding experiment was tested for consistency with data provided by an actual multi-feeding performed under the same experimental conditions. The results validated the single-feeding approach. Environ Toxicol Chem 2017;36:1227–1234. © 2016 SETAC
The construction of the Obervermuntwerk II pumped storage power station / Die Bauausführung des Pumpspeicherkraftwerks Obervermuntwerk II
Authors: Schönlechner Christian , Bitschnau Markus
Published: October 2016

The joint venture Bau Obervermuntwerk II, consisting of the companies Jäger Bau, Porr, Östu‐Stettin and Hinteregger are constructing the pumped storage works Obervermunt II (OVW II) under a contract from the Vorarlberger Illwerke AG between the Silvretta and the Vermunt reservoirs. The Obervermuntwerk II is being built as a parallel works to the existing Obervermuntwerk (OVW). Together with the OVW II, a new headrace is being built for the existing Obervermuntwerk and the existing overground penstock will be demolished. All excavation is being undertaken conventionally by drill and blast; only the surge tank and the pressure shaft will be excavated by raise boring previously excavated mucking shafts. The aggregates for the concrete of the Obervermunt II power station (about 200,000 m3) are being prepared from excavated material as far as possible. A dedicated material processing plant for the project is being operated in Vermunt as well as a batching plant.

Die Arbeitsgemeinschaft Bau Obervermuntwerk II, bestehend aus den Firmen Jäger Bau, Porr, Östu‐Stettin und Hinteregger errichtet im Auftrag der Vorarlberger Illwerke AG zwischen dem Speichersee Silvretta und dem Speichersee Vermunt das Pumpspeicherwerk Obervermunt II (OVW II). Das Obervermuntwerk II wird als Parallelwerk zum bestehenden Obervermuntwerk (OVW) errichtet. Mit der Errichtung des OVW II wird auch eine neue Triebwasserführung für das bestehende Obervermuntwerk hergestellt und die bestehende oberirdische Druckrohrleitung abgetragen. Sämtliche Ausbrucharbeiten erfolgen konventionell im Sprengvortrieb, lediglich beim Wasserschloss und dem Druckschacht werden mittels Raiseboring vorab Schutterschächte hergestellt. Die Zuschlagstoffe für den Beton des Kraftwerks Obervermunt II (ca. 200.000 m3) werden so weit wie möglich aus dem Ausbruchmaterial aufbereitet. Für diese Maßnahme wird im Bereich Vermunt eine eigene Materialaufbereitungsanlage sowie eine Betonmischanlage betrieben.
Hydroshield drive with a diameter of 13 m in the Lower Inn Valley – Project design and experience from construction of contract H3‐4 / Hydroschildvortrieb mit 13 m Durchmesser im Unterinntal – Projektplanung und Erfahrungen im Baulos H3‐4
Authors: Klitzen Jens , Herdina Johann
Published: October 2016

In the Lower Inn Valley of the Tyrol, Autria, the existing railway line has been upgraded. In the course of these works a two‐track tunnel with an excavated diameter of 13.03 m was built in the track section H3‐4 Münster/Wiesing. The tunnel was excavated with a slurry TBM. Demanding geotechnical conditions on this difficult contract necessitated changes to the overall concept. After tendering and the award of contract, the client and the contractor started the construction phase with different expectations. We report on the strongly differing experiences of the parties during the construction of the works. At the end, we draw conclusions for both parties from the experience gained during the successful completion of the project.

Im Tiroler Unterinntal wurde im Zuge des Ausbaus der bestehenden Bahntrasse im Streckenabschnitt H3‐4 Münster/Wiesing ein zweigleisiger Tunnel mit einem Ausbruchsdurchmesser von 13,03 m ausgeführt. Zum Einsatz kam hierbei eine Schildmaschine mit flüssigkeitsgestützter Ortsbrust. Die besonderen Anforderungen im geotechnisch anspruchsvollen Baulos haben bereits in der Phase der Projektierung eine Reihe von Anpassungen des Gesamtkonzepts erforderlich gemacht. Nach Ausschreibung und Vergabe sind Auftraggeber (AG) und Auftragnehmer (AN) mit bestimmten tlw. nicht deckungsgleichen Erwartungshaltungen in die Bauausführung gestartet. Über dies und die tlw. davon stark abweichenden Erfahrungen, die während der Ausführung gemacht wurden, wird berichtet. Zudem werden die für beide Vertragspartner wesentlichen Schlussfolgerungen aus dem technisch und vertraglich erfolgreich abgewickelten Bauvorhaben zusammengefasst.
The Granitztal Tunnel Chain – State of works on the second longest tunnel system on the Koralmbahn / Tunnelkette Granitztal – Stand der Arbeiten für das zweitlängste Tunnelsystem an der Koralmbahn
Authors: Bauer Johann , Kohlböck Bernhard , Moritz Bernd , Zwittnig Gerald
Published: October 2016

The Granitztal Tunnel Chain is not only the second longest tunnel system on the Koralmbahn line but also an essential part of the future new railway line between Graz and Klagenfurt (New South Range Line). At the time of reporting, more than two‐thirds of the tunnel excavation works on the Graniztal contract are completed. After a detailed description of the project with four simultaneously advancing TBM drive and the extensive concreting ad earthworks in the Granitztal, the geological and geotechnical conditions and the experience gained until now are described. Particular attention is paid to the challenging geotechnical conditions in the Langer Berg section and the overground section in the Granitztal. The intensive design work to optimise future maintenance work is also described.

Mit der Tunnelkette Granitztal entsteht derzeit nicht nur das zweitlängste Tunnelsystem an der Koralmbahn, sondern ein wesentlicher Mosaikstein für die künftige Hochleistungsstrecke zwischen Graz und Klagenfurt. Zum Berichtszeitpunkt wird mehr als zwei Drittel der Vortriebsarbeiten für dieses Baulos abgeschlossen sein. Nach einer detaillierten Beschreibung des Projekts mit seinen vier gleichzeitig laufenden Vortrieben und den umfangreichen Beton‐ und Erdarbeiten im Granitztal wird über die geologischen und geotechnischen Verhältnisse und die bis dato gewonnenen Erkenntnisse berichtet. Besonderes Augenmerk wird auf die anspruchsvollen geotechnischen Verhältnisse im Abschnitt Langer Berg sowie im Übertage‐Abschnitt Granitztal gelegt. Weiters wird über die intensiven Planungsaktivitäten zum Zwecke der Instandhaltungsoptimierung berichtet.