bluuebunny/crossref_metadata_2025 huggingface dataset:
Neurodynamic mobilization and foam rolling improved delayed-onset muscle soreness in a healthy adult population: a randomized controlled clinical trial
Authors: Romero-Moraleda Blanca , La Touche Roy , Lerma-Lara Sergio , Ferrer-Peña Raúl , Paredes Víctor , Peinado Ana Belén , Muñoz-García Daniel
Published: October 2017

Objectives

Compare the immediate effects of a Neurodynamic Mobilization (NM) treatment or foam roller (FR) treatment after DOMS.

Design

Double blind randomised clinical trial.

Setting

The participants performed 100 drop jumps (5 sets of 20 repetitions, separated by 2 min rests) from a 0.5-m high box in a University biomechanics laboratory to induce muscle soreness. The participants were randomly assigned in a counter-balanced fashion to either a FR or NM treatment group.

Participants

Thirty-two healthy subjects (21 males and 11 females, mean age 22.6 ± 2.2 years) were randomly assigned into the NM group (n = 16) or the FR group (n = 16).

Main Outcome Measures

The numeric pain rating scale (NPRS; 0–10), isometric leg strength with dynamometry, surface electromyography at maximum voluntary isometric contraction (MVIC) and muscle peak activation (MPA) upon landing after a test jump were measured at baseline, 48 h after baseline before treatment, and immediately after treatment.

Results

Both groups showed significant reduction in NPRS scores after treatment (NM: 59%, p < .01; FR: 45%, p < .01), but no difference was found between them (p > .05). The percentage change improvement in the MVIC for the rectus femoris was the only significant difference between the groups (p < 0.05) at post-treatment. After treatment, only the FR group had a statistically significant improvement (p < 0.01) in strength compared to pre-treatment.

Conclusion

Our results illustrate that both treatments are effective in reducing pain perception after DOMS whereas only FR application showed differences for the MVIC in the rectus femoris and strength.
Tumor-infiltrating CD8+ lymphocytes predict different clinical outcomes in organ- and non-organ-confined urothelial carcinoma of the bladder following radical cystectomy
Authors: Zhang Shiqiang , Wang Jun , Zhang Xinyu , Zhou Fangjian
Published: October 2017

Tumor-infiltrating lymphocytes (TILs) are associated with better clinical outcomes in many tumors. TILs represent a cell-mediated immune response against the carcinoma. CD8+ TILs are a crucial component of cell-mediated immunity. The significance of CD8+ TILs has not been reported respectively in organ- and non-organ-confined urothelial carcinoma (UC) of the bladder. We explored the prognostic value of CD8+ TILs in the two groups. The presence of CD8+ TILs was assessed by immunohistochemical staining of whole tissue sections from 75 organ and 51 non-organ-confined disease patients with long-term follow-up, and its correlation with clinicopathological features and overall survival (OS) was determined. The CD8+ TIL immunohistochemical staining score was 0 (<1%), 1 (≥1%), 2 (≥5%), or 3 (≥10%) based on the percentage of positively stained cells out of total cells. A patient was considered CD8 negative if the score was 0. There were no associations between CD8+ TILs and age, sex, nuclear grade, and adjuvant or neoadjuvant chemotherapy in organ- and non-organ-confined disease. The presence of CD8+ TILs was seen more frequently in pTa-1 than pT2 stage (p = 0.033) in organ-confined disease. No associations between CD8+ TILs and pT stage, pN stage were found in non-organ-confined disease. CD8+ TILs were associated with better OS (log-rank test, P = 0.036) in non-organ-confined disease, but with poorer OS (log-rank test, P = 0.040) in organ-confined disease by the Kaplan–Meier method. In multivariate analysis, CD8+ TILs were an independent favorable prognostic factor in non-organ-confined disease, but were an independent unfavorable prognostic factor in organ-confined disease. These results suggest that CD8+ TILs have clinically significant anti-tumor activity in non-organ-confined disease, but may have pro-tumor activity in organ-confined disease. Therefore, we should be cautious if CD8+ TILs are aimed to be exploited in the treatment of bladder cancer.
Ecm33 is a novel factor involved in efficient glucose uptake for nutrition‐responsive TORC1 signaling in yeast
Authors: Umekawa Midori , Ujihara Masato , Nakai Daiki , Takematsu Hiromu , Wakayama Mamoru
Published: October 2017

Glucose uptake is crucial for providing both an energy source and a signal that regulates cell proliferation. Therefore, it is important to clarify the mechanisms underlying glucose uptake and its transmission to intracellular signaling pathways. In this study, we searched for a novel regulatory factor involved in glucose‐induced signaling by using Saccharomyces cerevisiae as a eukaryotic model. Requirement of the extracellular protein Ecm33 in efficient glucose uptake and full activation of the nutrient‐responsive TOR kinase complex 1 (TORC1) signaling pathway is shown. Cells lacking Ecm33 elicit a series of starvation‐induced pathways even in the presence of extracellular high glucose concentration. This results in delayed cell proliferation, reduced ATP, induction of autophagy, and dephosphorylation of the TORC1 substrates Atg13 and Sch9.
Gpn3 is polyubiquitinated on lysine 216 and degraded by the proteasome in the cell nucleus in a Gpn1‐inhibitable manner
Authors: Méndez‐Hernández Lucía E. , Robledo‐Rivera Angelica Y. , Macías‐Silva Marina , Calera Mónica R. , Sánchez‐Olea Roberto
Published: October 2017

Gpn1 associates with Gpn3, and both are required for RNA polymerase II nuclear targeting. Global studies have identified by mass spectrometry that human Gpn3 is ubiquitinated on lysines 189 and 216. Our goals here were to determine the type, physiological importance, and regulation of Gpn3 ubiquitination. After inhibiting the proteasome with MG132, Gpn3‐Flag was polyubiquitinated on K216, but not K189, in HEK293T cells. Gpn3‐Flag exhibited nucleo‐cytoplasmic shuttling, but polyubiquitination and proteasomal degradation of Gpn3‐Flag occurred only in the cell nucleus. Polyubiquitination‐deficient Gpn3‐Flag K216R displayed a longer half‐life than Gpn3‐Flag in two cell lines. Interestingly, Gpn1‐EYFP inhibited Gpn3‐Flag polyubiquitination in a dose‐dependent manner. In conclusion, Gpn1‐inhibitable, nuclear polyubiquitination on lysine 216 regulates the half‐life of Gpn3 by tagging it for proteasomal degradation.
Long‐Term Geomagnetically Induced Current Observations From New Zealand: Peak Current Estimates for Extreme Geomagnetic Storms
Authors: Rodger Craig J. , Mac Manus Daniel H. , Dalzell Michael , Thomson Alan W. P. , Clarke Ellen , Petersen Tanja , Clilverd Mark A. , Divett Tim
Published: October 2017

Geomagnetically induced current (GIC) observations made in New Zealand over 14 years show induction effects associated with a rapidly varying horizontal magnetic field (dBH/dt) during geomagnetic storms. This study analyzes the GIC observations in order to estimate the impact of extreme storms as a hazard to the power system in New Zealand. Analysis is undertaken of GIC in transformer number six in Islington, Christchurch (ISL M6), which had the highest observed currents during the 6 November 2001 storm. Using previously published values of 3,000 nT/min as a representation of an extreme storm with 100 year return period, induced currents of ~455 A were estimated for Islington (with the 95% confidence interval range being ~155–605 A). For 200 year return periods using 5,000 nT/min, current estimates reach ~755 A (confidence interval range 155–910 A). GIC measurements from the much shorter data set collected at transformer number 4 in Halfway Bush, Dunedin, (HWB T4), found induced currents to be consistently a factor of 3 higher than at Islington, suggesting equivalent extreme storm effects of ~460–1,815 A (100 year return) and ~460–2,720 A (200 year return). An estimate was undertaken of likely failure levels for single‐phase transformers, such as HWB T4 when it failed during the 6 November 2001 geomagnetic storm, identifying that induced currents of ~100 A can put such transformer types at risk of damage. Detailed modeling of the New Zealand power system is therefore required to put this regional analysis into a global context.
Was That Assumption Necessary? Reconsidering Boundary Conditions for Analytical Solutions to Estimate Streambed Fluxes
Authors: Luce Charles H. , Tonina Daniele , Applebee Ralph , DeWeese Timothy
Published: October 2017

Two common refrains about using the one‐dimensional advection diffusion equation to estimate fluid fluxes and thermal conductivity from temperature time series in streambeds are that the solution assumes that (1) the surface boundary condition is a sine wave or nearly so, and (2) there is no gradient in mean temperature with depth. Although the mathematical posing of the problem in the original solution to the problem might lead one to believe these constraints exist, the perception that they are a source of error is a fallacy. Here we develop a mathematical proof demonstrating the equivalence of the solution as developed based on an arbitrary (Fourier integral) surface temperature forcing when evaluated at a single given frequency versus that derived considering a single frequency from the beginning. The implication is that any single frequency can be used in the frequency‐domain solutions to estimate thermal diffusivity and 1‐D fluid flux in streambeds, even if the forcing has multiple frequencies. This means that diurnal variations with asymmetric shapes or gradients in the mean temperature with depth are not actually assumptions, and deviations from them should not cause errors in estimates. Given this clarification, we further explore the potential for using information at multiple frequencies to augment the information derived from time series of temperature.
Graphene‐Based Linear Tandem Micro‐Supercapacitors with Metal‐Free Current Collectors and High‐Voltage Output
Authors: Shi Xiaoyu , Wu Zhong‐Shuai , Qin Jieqiong , Zheng Shuanghao , Wang Sen , Zhou Feng , Sun Chenglin , Bao Xinhe
Published: October 2017

Printable supercapacitors are regarded as a promising class of microscale power source, but are facing challenges derived from conventional sandwich‐like geometry. Herein, the printable fabrication of new‐type planar graphene‐based linear tandem micro‐supercapacitors (LTMSs) on diverse substrates with symmetric and asymmetric configuration, high‐voltage output, tailored capacitance, and outstanding flexibility is demonstrated. The resulting graphene‐based LTMSs consisting of 10 micro‐supercapacitors (MSs) present efficient high‐voltage output of 8.0 V, suggestive of superior uniformity of the entire integrated device. Meanwhile, LTMSs possess remarkable flexibility without obvious capacitance degradation under different bending states. Moreover, areal capacitance of LTMSs can be sufficiently modulated by incorporating polyaniline‐based pseudocapacitive nanosheets into graphene electrodes, showing enhanced capacitance of 7.6 mF cm−2. To further improve the voltage output and energy density, asymmetric LTMSs are fabricated through controlled printing of linear‐patterned graphene as negative electrodes and MnO2 nanosheets as positive electrodes. Notably, the asymmetric LTMSs from three serially connected MSs are easily extended to 5.4 V, triple voltage output of the single cell (1.8 V), suggestive of the versatile applicability of this technique. Therefore, this work offers numerous opportunities of graphene and analogous nanosheets for one‐step scalable fabrication of flexible tandem energy storage devices integrating with printed electronics on same substrate.
A Rational Design of High‐Performance Sandwich‐Structured Quasisolid State Li–O2 Battery with Redox Mediator
Authors: Liu Kailiang , Sun Hongguang , Dong Shanmu , Lu Chenglong , Li Yang , Cheng Junmei , Zhang Jianjun , Wang Xiaogang , Chen Xiao , Cui Guanglei
Published: October 2017

The increasing interest in Li–O2 battery arises from its unparalleled theoretical energy density. Nevertheless, the poor reversibility of cathode reaction and unstable characteristic of Li anode hinder its further application. To address these issues, a high‐performance sandwich‐structured quasisolid polymer electrolyte (QSPE) is designed to meet the requirement of both cathode and anode. For the first time, lithiated Nafion ionomer (Li‐Nafion) is introduced into Li–O2 cell to separate “catholyte” and “anolyte.” Redox mediator (RM) is introduced into gel‐like catholyte, based on polymethymethacrylate, to achieve high capacity and reversibility. Polypropylene carbonate is chosen as solid‐state anolyte for enhancing interface stability of lithium anode. It is demonstrated that the QSPE exhibits excellent permselectivity to block RM shuttling, as well as good ionic conductivity and high electrochemical window. A solution mechanism formation of discharge product is demonstrated in the Li–O2 cell with QSPE and the RM works well for cycles at room temperature. This sandwich‐structured design strategy will provide a new pathway to promote the properties of Li–O2 battery.
Atomic‐Scale Friction of Black Phosphorus: Effect of Thickness and Anisotropic Behavior
Authors: Cui Ziyi , Xie Guoxin , He Feng , Wang Weiqi , Guo Dan , Wang Wei
Published: October 2017

The understanding on the friction properties of black phosphorus (BP) is very crucial for such applications as strain‐engineered devices and micro/nanoelectromechanical systems. Herein, the relationship between the layer number of few‐layer BP flakes and its nanoscale friction, as well as the atomic‐scale friction anisotropy, is studied. BP flakes thicker than about five layers show almost the same friction as that of the bulk value, and the friction increases with the layer number decreasing from five, due to the strengthening mechanism. Obvious friction anisotropy of BP flakes are observed in that the friction for the armchair direction is the highest, that for the zigzag direction the lowest, and that for the lattice orientation between the two directions the intermediate. Supported by the theoretical prediction with 2D Tomlinson model, the observed phenomena are explained by the anisotropies in the amplitudes of the tip‐induced flexural deformations of BP flakes.
Synergistic Cooperative Effect of Sodium borohydride‐Iodine Towards Cascade C−N and C−S/Se Bond Formation: One‐pot Regioselective Synthesis of 3‐Sulfenyl/selenyl Indoles and Mechanistic Insight
Authors: Lavekar Aditya G. , Equbal Danish , Saima  , Sinha Arun K.
Published: October 2017

In this work, a new strategy to synthesize 3‐sulfenyl/selenyl indole is reported wherein LC−MS reveals a novel insight into synergistic cooperative effect of NaBH4‐I2 which allows cascade C−N and C−S/C−Se bond formations via reduction‐nucleophilic cyclization‐chalcogenylation, three steps in one‐pot, towards regioselective synthesis of diverse 3‐chalcogenyl indoles including 5‐bromo‐3‐[(3,4,5‐trimethoxyphenyl)thio]‐1H‐indole, a known lead anticancer compound, directly from 2‐amino‐phenacylchlorides and thiophenols or disulfides/diselenides in aqueous dioxane under transition‐metal‐free condition.

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Navigating Community Development Conflicts: Contested Visions of Poverty & Poverty Alleviation
Authors: Suiter Sarah V.
Published: October 2017

This article explores an ethical dilemma that arose from the author's involvement in a project intended to identify and address the needs of seven batey communities in the Dominican Republic. In the summer of 2014, the author conducted a large‐scale needs assessment to inform strategic planning for a foundation that was invested in community development work in those communities. Through a collaborative process, the author worked with the foundation, representatives of the migrant communities, and other researchers to develop survey and focus group tools that were administered to 1,360 and 54 people, respectively. Data collection, analysis, and dissemination proceeded as planned. The conflict and resulting ethical dilemma emerged at the point of data interpretation and strategic planning, processes that revealed that the different parties held conflicting theories of poverty. The ideological conflicts related to why poverty exists, who is responsible for it, and what should be done about it made proceeding with the project ethically tenuous for the author. The author describes the values and theories of ethics on which she relied to navigate this challenge, as well as reflections on her continued participation in the community development process.
Spatial distribution of kidney disease in the contaminated site of Taranto (Italy)
Authors: Benedetti Marta , De Santis Marco , Manno Valerio , Minerba Sante , Mincuzzi Antonella , Morabito Angela , Panocchia Nicola , Soggiu Maria Eleonora , Tanzarella Annalisa , Pastore Tiziano , Bossola Maurizio , Giua Roberto , Leogrande Simona , Nocioni Alessandra , Conti Susanna , Comba Pietro
Published: October 2017

Background

Exposure to heavy metals has been associated with kidney disease. We investigated the spatial distribution of kidney disease in the industrially contaminated site of Taranto.

Methods

Cases were subjects with a first hospital discharge diagnosis of kidney disease. Cases affected by specific comorbidities were excluded. Standardized Hospitalization Ratios (SHRs) were computed for low/high exposure area and for modeled spatial distribution of cadmium and fine particulate matter.

Result

Using the high/low exposure approach, in subjects aged 20‐59 years residing in the high exposure area a significant excess of hospitalization was observed in males and a non‐significant excess in females. No excesses were observed in subjects aged 60 years and over. The analysis by the modeling approach did not show a significant association with the greatest pollution impact area.

Conclusion

Due to the excesses of hospitalization observed in the high/low exposure approach, a continuing epidemiological surveillance of residents and occupational groups is warranted.
Copper‐Catalyzed Carboxylation of Aryl‐ and Alkenyltrialkoxysilanes
Authors: Nguyen Thanh V. Q. , Yoo Woo‐Jin , Kobayashi Shū
Published: October 2017

The use of a simple copper salt as a catalyst, in conjunction with CsF as an activator, enabled a wide range of aryl‐ and alkenyltrialkoxysilanes to undergo carboxylation under atmospheric pressure of CO2, affording the corresponding carboxylic acids in good to high yields.
Thermal degradation kinetics of polyimide nanocomposites from different carbon nanofillers: Applicability of different theoretical models
Authors: Nayak Lalatendu , Rahaman Mostafizur , Khastgir Dipak , Chaki Tapan Kumar
Published: October 2017

In this study, the nanocomposites of polyimide (PI) with the nanofillers multiwalled carbon nanotube (MWCNT) and carbon nanofiber (CNF) were prepared by in situ polymerization technique. The thermal stability of the nanocomposites were investigated and discussed with respect to nanofillers type, concentration, and their functionality within the PI matrix. It is observed that there are 16 and 18 °C increment in thermal degradation temperature with the addition of 3 wt % MWCNT and CNF within the PI matrix, respectively. The thermal degradation kinetics of the nanocomposites were studied by Kissinger–Akahira–Sunose method, Flynn–Wall–Ozawa method, and Kim–Park method. The results show that these models are well fitted with the experimental data. It is found that the calculated activation energy increases with the increase in nanofillers loading and PI/CNF nanocomposites exhibit higher activation energy compared to PI/MWCNT composites at their similar loading. Moreover, the effect of nanofillers type and loading on the glass transition temperature of nanocomposites were also investigated in details. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45862.
Medicinal Attributes of Thienopyrimidine Based Scaffold Targeting Tyrosine Kinases and Their Potential Anticancer Activities
Authors: Ghith Amna , Ismail Nasser S.M. , Youssef Khairia , Abouzid Khaled A.M.
Published: October 2017

Thienopyrimidines (TP), comprising a thiophene ring fused with pyrimidine, are famous bioisosteres to purines, an essential part of the human metabolome. This scaffold has become an interesting structural element in the development of pharmaceutical compounds, due to their wide spectrum applications as cytotoxic agents against different types of human cancer cell lines, cGMP phosphodiesterase inhibitors, and anti‐viral, anti‐inflammatory, and anti‐microbial agents. The structural similarity of this scaffold with adenine made it an excellent moiety to be used in the design of kinase inhibitors. This review focuses on the chemistry of thienopyrimidine derivatives, their potential activities against various kinases, and their structure–activity relationship studies.
Some like it hot: The impact of next generation FLIR Systems thermal cameras on archaeological thermography
Authors: Thomas Hugh
Published: October 2017

Infrared thermography, or thermal imaging, has been used as a remote sensing technique to determine whether subsurface features such as walls or pits generate a heat differentiation from the surrounding earth. To date, this form of remote sensing has been notoriously difficult to perform due to cost, low‐resolution thermal cameras and an inability to provide a stable aerial photographic platform. Furthermore, thermal fluctuations produced by archaeological remains are highly volatile, and are dependent on a multitude of variables such as soil moisture, particle size, and the construction materials of features. These issues have restricted the use of infrared thermography within archaeology. Yet, with the rapid development and adoption of unmanned aerial vehicles (UAVs) over the last decade as well as developments in thermographic technology, thermal imaging is now affordable and can be attached with relative ease to a multitude of UAVs. This paper reviews a new, low‐cost, FLIR Systems thermal camera made specifically for UAVs, which were successfully employed at the Ancient Methone Archaeological Project, Pieria, Greece. By utilizing the FLIR Vue Pro, along with a DJI Phantom 2, aerial thermography was performed at the site at a cost far below that proposed by previous studies, with results also equalling or exceeding those methodologies. In combination with high resolution aerial photogrammetry, this methodology has helped to clarify previous archaeological investigations at the site, as well as revealing significant rectilinear subsurface remains.
The Effects of Differing Knowledge Transfer Strategies on Group Decision Making and Performance
Authors: Sillito Walker Sheli D. , Bonner Bryan L.
Published: October 2017

Encouraging reflection on one's existing knowledge in a group setting increases shared understanding, makes information available for problem solving, and makes it easier for members to show and to be shown the merit of others' preferences. However, it is also possible that attempting to constrain the process by which problem solvers manage this reflection process may prevent them from effectively tailoring their approach to different problems. The current research focuses on how the nature of different knowledge transfer strategies impacts problem solving processes and outcomes by examining manipulations of, or constraints to, problem solvers' approach to knowledge transfer. Participants were directed to generate associated knowledge in preparation for answering a series of estimation items, either in a group or individually. We found that groups using a shared reflection process (as opposed to reflecting at an individual member level) were able to give more weight to the inputs of their more expert members and that groups outperformed individuals. We discuss the process of promoting knowledge transfer in a group context relative to an individual context and relate this to the concept of task demonstrability. Copyright © 2017 John Wiley & Sons, Ltd.
A probabilistic network for the diagnosis of acute cardiopulmonary diseases
Authors: Magrini Alessandro , Luciani Davide , Stefanini Federico M.
Published: October 2017

In this paper, the development of a probabilistic network for the diagnosis of acute cardiopulmonary diseases is presented in detail. A panel of expert physicians collaborated to specify the qualitative part, which is a directed acyclic graph defining a factorization of the joint probability distribution of domain variables into univariate conditional distributions. The quantitative part, which is a set of parametric models defining these univariate conditional distributions, was estimated following the Bayesian paradigm. In particular, we exploited an original reparameterization of Beta and categorical logistic regression models to elicit the joint prior distribution of parameters from medical experts, and updated it by conditioning on a dataset of hospital records via Markov chain Monte Carlo simulation. Refinement was iteratively performed until the probabilistic network provided satisfactory concordance index values for several acute diseases and reasonable diagnosis for six fictitious patient cases. The probabilistic network can be employed to perform medical diagnosis on a total of 63 diseases (38 acute and 25 chronic) on the basis of up to 167 patient findings.
Role of the Diphosphine Chelate in Emissive, Charge‐Neutral Iridium(III) Complexes
Authors: Liao Jia‐Ling , Devereux Leon R. , Fox Mark A. , Yang Chun‐Chieh , Chiang Yu‐Cheng , Chang Chih‐Hao , Lee Gene‐Hsiang , Chi Yun
Published: October 2017

A class of neutral tris‐bidentate IrIII metal complexes incorporating a diphosphine as a chelate is prepared and characterized here for the first time. Treatment of [Ir(dppBz)(tht)Cl3] (1, dppBz=1,2‐bis(diphenylphosphino)benzene, tht=tetrahydrothiophene) with fppzH (3‐trifluoromethyl‐5‐(2′‐pyridyl)‐1H‐pyrazole) afforded the dichloride complexes, trans‐(Cl,Cl)[Ir(dppBz)(fppz)Cl2] (2) and cis‐(Cl,Cl)[Ir(dppBz)(fppz)Cl2] (3). The reaction of 3 with the dianionic chelate precursor, 5,5′‐di(trifluoromethyl)‐3,3′‐bipyrazole (bipzH2) or 5,5′‐(1‐methylethylidene)‐bis(3‐trifluoromethyl‐1H‐pyrazole) (mepzH2), in DMF gave the tris‐bidentate complex [Ir(dppBz)(fppz)(bipz)] (4) or [Ir(dppBz)(fppz)(mepz)] (5), respectively. In contrast, a hydride complex [Ir(dppBz)(fppz)(bipzH)H] (6) was isolated instead of 4 in protic solvent, namely: diethylene glycol monomethyl ether (DGME). All complexes 2–6 are luminescent in powder form and thin films where the dichlorides (2, 3) emit with maxima at 590–627 nm (orange) and quantum yields (QYs) up to 90 % whereas the tris‐bidentate (4, 5) and hydride (6) complexes emit at 455–458 nm (blue) with QYs up to 70 %. Hybrid (time‐dependent) DFT calculations showed considerable metal‐to‐ligand charge transfer contribution to the orange‐emitting 2 and 3 but substantial ligand‐centered 3π–π* transition character in the blue‐emitting 4–6. The dppBz does not participate in the radiative transitions in 4–6, but it provides the rigidity and steric bulk needed to promote the luminescence by suppressing the self‐quenching in the solid state. Fabrication of an organic light‐emitting diode (OLED) with dopant 5 gave a deep‐blue CIE chromaticity of (0.16, 0.15). Superior blue emitters, which are vital in OLED applications, may be found in other neutral IrIII complexes containing phosphine chelates.
The Coordination and Supramolecular Chemistry of Gold Metalloligands
Authors: Gil‐Rubio Juan , Vicente José
Published: October 2017

This review article deals with the use of gold metalloligands as building blocks for the assembly of heterometallic complexes. Several families of gold complexes decorated with crown‐ether, amide, pyridine, bipyridine, terpyridine, carboxylato, amino acid or π‐alkyne binding sites have been reported. Adducts of these metalloligands with alkaline or transition‐metal cations, or with transition‐metal or lanthanide complexes, have been isolated and structurally characterized. The reported heterometallic species range from simple dinuclear complexes to self‐assembled supramolecules, coordination polymers, or solids. New structural motifs have been found in these complexes. Most of these metalloligands and complexes are photoluminescent and some of them show switchable emissions based on the formation and rupture of metallophilic contacts. Potential applications as sensors, sensitizers, in vivo imaging agents, and anticancer drugs are envisaged.
Directly Coupled Versus Spectator Linkers on Diimine PtII Acetylides—Change the Structure, Keep the Function?
Authors: Archer Stuart A. , Keane Theo , Delor Milan , Bevon Elizabeth , Auty Alexander J. , Chekulaev Dimitri , Sazanovich Igor V. , Towrie Michael , Meijer Anthony J. H. M. , Weinstein Julia A.
Published: October 2017

Modification of light‐harvesting units with anchoring groups for surface attachment often compromises light‐harnessing properties. Herein, a series of [donor–acceptor–anchor] platinum(II) diimine (bis‐)acetylides was developed in order to systematically compare the effect of conjugated versus electronically decoupled modes of attachment of protected anchoring groups on the photophysical properties of light‐harvesting units. The first examples of “decoupled” phosphonate diimine PtII complexes are reported, and their properties are compared and contrasted to those of carboxylate analogues studied by a diversity of methods. Ultrafast time‐resolved IR and transient absorption spectroscopy revealed that all complexes have a charge‐transfer (CT) lowest excited state with lifetimes between 2 and 14 ns. Vibrational signatures and dynamics of CT states were identified; the assignment of electronic states and their vibrational origin was aided by TDDFT calculations. Ultrafast energy redistribution accompanied by structural changes was directly captured in the CT states. A significant difference between the structures of the electronic ground and CT excited states, as well as differences in the structural reorganisation in the complexes bearing directly attached or electronically decoupled anchoring groups, was discovered. This work demonstrates that decoupling of the anchoring group from the light‐harvesting core by a saturated spacer is an easy approach to combine surface attachment with high reduction potential and ten times longer lifetime of the CT excited state of the light‐absorbing unit, and retain electron‐transfer photoreactivity essential for light‐harvesting applications.
Straightforward Design of Fluorescent Receptors for Sulfate: Study of Non‐Covalent Interactions Contributing to Host–Guest Formation
Authors: Shumilova Tatiana A. , Rüffer Tobias , Lang Heinrich , Kataev Evgeny A.
Published: October 2017

A straightforward design of receptors for binding and sensing of sulfate in aqueous medium was developed. The design involves the connection of two naphthalimide‐based pH probes through a hydrogen‐bonding motif. The structure of the receptor–sulfate complex, predicted by DFT calculations, was unambiguously confirmed by NMR measurements. There are three major interactions stabilizing the host–guest complex: electrostatic interactions, hydrogen bonding, and stacking interactions of the dyes. Study of two control receptors containing either one dye or methyl amide groups instead of amides, revealed that electrostatic and hydrogen bonding interactions contribute the most to affinity and selectivity of receptors. The receptors can detect sulfate in a 1:1 THF–buffer mixture in pH window 3.6–4.5 demonstrating up to 7‐fold fluorescence enhancement. To the best of our knowledge, the reported PET (photoinduced electron transfer) anion probes possess the largest response for sulfate in aqueous solution yet described.
Relativistic DFT Calculations of Hyperfine Coupling Constants in 5d Hexafluorido Complexes: [ReF6]2− and [IrF6]2−
Authors: Haase Pi A. B. , Repisky Michal , Komorovsky Stanislav , Bendix Jesper , Sauer Stephan P. A.
Published: October 2017

The performance of relativistic density functional theory (DFT) methods has been investigated for the calculation of the recently measured hyperfine coupling constants of hexafluorido complexes [ReF6]2− and [IrF6]2−. Three relativistic methods were employed at the DFT level of theory: the 2‐component zeroth‐order regular approximation (ZORA) method, in which the spin–orbit coupling was treated either variationally (EV ZORA) or as a perturbation (LR ZORA), and the 4‐component Dirac–Kohn–Sham (DKS) method. The dependence of the results on the basis set and the choice of exchange‐correlation functional was studied. Furthermore, the effect of varying the amount of Hartree–Fock exchange in the hybrid functionals was investigated. The LR ZORA and DKS methods combined with DFT led to very similar deviations (about 20 %) from the experimental values for the coupling constant of complex [ReF6]2− by using hybrid functionals. However, none of the methods were able to reproduce the large anisotropy of the hyperfine coupling tensor of complex [ReF6]2−. For [IrF6]2−, the EV ZORA and DKS methods reproduced the experimental tensor components with deviations of ≈10 and ≈5 % for the hybrid functionals, whereas the LR ZORA method predicted the coupling constant to be around one order of magnitude too large owing to the combination of large spin–orbit coupling and very low excitation energies.
TSPYL Family Regulates CYP17A1 and CYP3A4 Expression: Potential Mechanism Contributing to Abiraterone Response in Metastatic Castration‐Resistant Prostate Cancer
Authors: Qin Sisi , Liu Duan , Kohli Manish , Wang Liguo , Vedell Peter T. , Hillman David W. , Niu Nifang , Yu Jia , Weinshilboum Richard M. , Wang Liewei
Published: October 2017

The testis‐specific Y‐encoded‐like protein (TSPYL) gene family includes TSPYL1 to TSPYL6. We previously reported that TSPYL5 regulates cytochrome P450 (CYP) 19A1 expression. Here we show that TSPYLs, especially TSPYL 1, 2, and 4, can regulate the expression of many CYP genes, including CYP17A1, a key enzyme in androgen biosynthesis, and CYP3A4, an enzyme that catalyzes the metabolism of abiraterone, a CYP17 inhibitor. Furthermore, a common TSPYL1 single nucleotide polymorphism (SNP), rs3828743 (G/A) (Pro62Ser), abolishes TSPYL1's ability to suppress CYP3A4 expression, resulting in reduced abiraterone concentrations and increased cell proliferation. Data from a prospective clinical trial of 87 metastatic castration‐resistant prostate cancer patients treated with abiraterone acetate/prednisone showed that the variant SNP genotype (A) was significantly associated with worse response and progression‐free survival. In summary, TSPYL genes are novel CYP gene transcription regulators, and genetic alteration within these genes significantly influences response to drug therapy through transcriptional regulation of CYP450 genes.
Pseudonym changing strategy with multiple mix zones for trajectory privacy protection in road networks
Authors: Memon Imran , Chen Ling , Arain Qasim Ali , Memon Hina , Chen Gencai
Published: October 2017

In road network, vehicles' location may be identified, and their transmissions may even tracked by eavesdrops (eg, safety messages) that contain sensitive personal information such as identity and location of the vehicle. This type of communication leads to breaking the users' trajectory privacy. Frequently changing pseudonyms are widely accepted as a solution that protects the trajectory privacy of users in road networks. However, this solution may become invalid if a vehicle changes its pseudonym at an improper occasion. To cope with this issue, we presented an efficient pseudonym change strategy with multiple mix zones scheme to provide trajectory privacy for road network. In addition, we protected vehicles against linkability attack by cheating mechanism. Henceforth, we constructed a cheating detection mechanism which allows the vehicles to verify whether the pseudonym change process is successful or not and also detect to malicious vehicles. In this way, users' trajectory privacy can be improved. Finally, by taking the anonymity set size (ASS) as the trajectory privacy metric, we exhibit by means of simulations that the proposed scheme is effective in multiple networks scenarios.
Identifying LDoS attack traffic based on wavelet energy spectrum and combined neural network
Authors: Yue Meng , Liu Liang , Wu Zhijun , Wang Minxiao
Published: October 2017

As a special type of denial of service (DoS) attacks, the TCP‐targeted low‐rate denial of service (LDoS) attacks have the characteristics of low average rate and strong concealment, so it is difficult to identify such attack traffic. As multifractal characteristics exist in network traffic, a new identification approach based on wavelet transform and combined neural network is proposed to classify normal network traffic and LDoS attack traffic. Wavelet energy spectrum coefficients extracted from the sampled traffic are used for multifractal analysis of traffic over different time scale. The combined neural network is designed to classify these multiscale spectrum coefficients that show different multifractal characteristics belonging to normal network traffic and LDoS attack traffic. Test results of test‐bed experiments indicate that the proposed approach can identify LDoS attack traffic accurately.
The role of cardiac vagal tone and inhibitory control in pre‐schoolers' listening comprehension
Authors: Scrimin Sara , Patron Elisabetta , Florit Elena , Palomba Daniela , Mason Lucia
Published: October 2017

This study investigated the role of basal cardiac activity and inhibitory control at the beginning of the school year in predicting oral comprehension at the end of the year in pre‐schoolers. Forty‐three, 4‐year‐olds participated in the study. At the beginning of the school year children's electrocardiogram at rest was registered followed by the assessment of inhibitory control as well as verbal working memory and verbal ability. At the end of the year all children were administered a listening comprehension ability measure. A stepwise regression showed a significant effect of basal cardiac vagal tone in predicting listening comprehension together with inhibitory control and verbal ability. These results are among the first to show the predictive role of basal cardiac vagal tone and inhibitory control in pre‐schoolers' oral text comprehension, and offer new insight into the association between autonomic regulation of the heart, inhibitory control, and cognitive activity at a young age.
Landscape genomic approach to detect selection signatures in locally adapted Brazilian swine genetic groups
Authors: Cesconeto Robson Jose , Joost Stéphane , McManus Concepta Margaret , Paiva Samuel Rezende , Cobuci Jaime Araujo , Braccini Jose
Published: October 2017

Samples of 191 animals from 18 different Brazilian locally adapted swine genetic groups were genotyped using Illumina Porcine SNP60 BeadChip in order to identify selection signatures related to the monthly variation of Brazilian environmental variables. Using BayeScan software, 71 SNP markers were identified as FST outliers and 60 genotypes (58 markers) were found by Samβada software in 371 logistic models correlated with 112 environmental variables. Five markers were identified in both methods, with a Kappa value of 0.073 (95% CI: 0.011–0.134). The frequency of these markers indicated a clear north–south country division that reflects Brazilian environmental differences in temperature, solar radiation, and precipitation. Global spatial territory correlation for environmental variables corroborates this finding (average Moran's I = 0.89, range from 0.55 to 0.97). The distribution of alleles over the territory was not strongly correlated with the breed/genetic groups. These results are congruent with previous mtDNA studies and should be used to direct germplasm collection for the National gene bank.
Resource selection by an ectothermic predator in a dynamic thermal landscape
Authors: George Andrew D. , Connette Grant M. , Thompson Frank R. , Faaborg John
Published: October 2017

Predicting the effects of global climate change on species interactions has remained difficult because there is a spatiotemporal mismatch between regional climate models and microclimates experienced by organisms. We evaluated resource selection in a predominant ectothermic predator using a modeling approach that permitted us to assess the importance of habitat structure and local real‐time air temperatures within the same modeling framework. We radio‐tracked 53 western ratsnakes (Pantherophis obsoletus) from 2010 to 2013 in central Missouri,USA, at study sites where this species has previously been linked to prey population demographics. We used Bayesian discrete choice models within an information theoretic framework to evaluate the seasonal effects of fine‐scale vegetation structure and thermal conditions on ratsnake resource selection. Ratsnake resource selection was influenced most by canopy cover, canopy cover heterogeneity, understory cover, and air temperature heterogeneity. Ratsnakes generally preferred habitats with greater canopy heterogeneity early in the active season, and greater temperature heterogeneity later in the season. This seasonal shift potentially reflects differences in resource requirements and thermoregulation behavior. Predicted patterns of space use indicate that ratsnakes preferentially selected open habitats in spring and early summer and forest–field edges throughout the active season. Our results show that downscaled temperature models can be used to enhance our understanding of animal resource selection at scales that can be addressed by managers. We suggest that conservation of snakes or their prey in a changing climate will require consideration of fine‐scale interactions between local air temperatures and habitat structure.
Luminescence Quenching of Ligand‐Substituted Molybdenum and Tungsten Halide Clusters by Oxygen and Their Oxidation Electrochemistry
Authors: Fuhrmann Arin‐Daniel , Seyboldt Alexander , Schank Andreas , Zitzer Georg , Speiser Bernd , Enseling David , Jüstel Thomas , Meyer Hans‐Jürgen
Published: October 2017

Cluster compounds (TBA)2[Mo6I8(CF3SO3)6], (TBA)2[W6I8(CF3SO3)6], and (TBA)2[W6Br8(CF3SO3)6] are prepared and structurally characterized from single‐crystal X‐ray diffraction data. All compounds show red emission on photoexcitation at 400 nm. However, the phosphorescence of crystalline samples is quenched in the presence of oxygen, depending on the partial pressure of oxygen. The distinct phosphorescence‐quenching behavior of compounds containing trifluoromethanesulfonato (CF3SO3–) ligands is compared with corresponding compounds with trifluoroacetato (CF3COO–) and p‐toluolsulfonato (CH3C6H4SO3–) ligands. By studying these compounds, we investigate the relationship of more‐ or less‐electron‐withdrawing ligands (L) of (TBA)2[M6X8L6] halide (X) clusters, their redox potentials (E0), and their phosphorescence‐quenching behavior under variable oxygen partial pressures.
Enantioselective Synthesis of the C23–C33 Fragment of Aetheramide A and Its C32 Epimer
Authors: Peňaška Tibor , Koukal Petr , Kotora Martin
Published: October 2017

The key aetheramide A intermediate with the natural (R,R,R) configuration along with the one having the unnatural (R,S,R) configuration was synthesized. The synthesis of both stereoisomers was accomplished by Suzuki coupling of two advanced chiral building blocks: (R,R)‐ and (R,S)‐vinylboronates and an (R)‐iodoalkene. The former was prepared from (R)‐mandelic acid, and the latter was prepared by enantioselective allylation of 3‐iodoacrylaldehyde.
When and why does transformational leadership influence employee creativity? The roles of personal control and creative personality
Authors: Tse Herman H. M. , To March L. , Chiu Warren C. K.
Published: October 2017

This study develops and tests a model of the underlying mechanisms linking transformational leadership and employee creativity using a sample of 240 matched middle‐level manager and front‐line supervisor dyads from a large foreign joint‐venture company in China. We propose that personal control and employee creative personality serve as a unique psychological mechanism and an important boundary condition to simultaneously influence the relationship between transformational leadership and employee creativity. Results of moderated‐mediation analyses provided support for our conceptual model, showing that transformational leadership was positively related to personal control, which also had a positive impact on employee creativity. Furthermore, creative personality was found to moderate the relationship between transformational leadership and personal control, which in turn, mediated the joint effect on employee creativity. Findings of this study provide insights into the research on leadership development and work design in HRM, which can inform human resource managers to design effective strategies and systems that can increase employees' creativity.
The importance of firm level multinationality in the country versus industry debate
Authors: Mullen Cormac , Berrill Jenny
Published: October 2017

We conduct the most comprehensive empirical analysis that exists to date of the effect multinationality has on the explanatory power of country and industry factors in international diversification. We investigate the impact the size, scope, and location of a company's international sales has on country versus industry factors, analysing 1,276 firms from Belgium, Canada, France, Germany, Italy, Japan, the Netherlands, Spain, the UK, and the US over the 15‐year period, 1998–2012. We find that the magnitude of the country factor is greater than the magnitude of the industry factor for the period as a whole but that a company's level of international sales has a greater impact on the magnitude of its industry factor than the magnitude of its country factor. Counter‐intuitively, we find stocks with lower sales exposure to their country of origin have a higher country factor, and we show the existence of both a strong local and international industry factor. Our results suggest country‐of‐origin diversification may no longer be sufficient to exploit country‐specific risk and the country factor has become a “country classification” factor.
Resource availability for the management of maternal sepsis in Malawi, other low‐income countries, and lower‐middle‐income countries
Authors: Abdu Mohammed , Wilson Amie , Mhango Chisale , Taki Fatima , Coomarasamy Arri , Lissauer David
Published: October 2017

Objective

To assess the availability of key resources for the management of maternal sepsis and evaluate the feasibility of implementing the Surviving Sepsis Campaign (SSC) recommendations in Malawi and other low‐resource settings.

Methods

A cross‐sectional study was conducted at health facilities in Malawi, other low‐income countries, and lower‐middle‐income countries during January–March 2016. English‐speaking healthcare professionals (e.g. doctors, nurses, midwives, and administrators) completed a questionnaire/online survey to assess the availability of resources for the management of maternal sepsis.

Results

Healthcare centers (n=23) and hospitals (n=13) in Malawi showed shortages in the resources for basic monitoring (always available in 5 [21.7%] and 10 [76.9%] facilities, respectively) and basic infrastructure (2 [8.7%] and 7 [53.8%], respectively). The availability of antibiotics varied between Malawian healthcare centers (9 [39.1%]), Malawian hospitals (8 [61.5%]), hospitals in other low‐income countries (10/17 [58.8%]), and hospitals in lower‐middle‐income countries (39/41 [95.1%]). The percentage of SSC recommendations that could be implemented was 33.3% at hospitals in Malawi, 30.3% at hospitals in other low‐income countries, and 68.2% at hospitals in lower‐middle‐income countries.

Conclusion

The implementation of existing SSC recommendations is unrealistic in low‐income countries because of resource limitations. New maternal sepsis care bundles must be developed that are applicable to low‐resource settings.