bluuebunny/crossref_metadata_2025 huggingface dataset:
Scrutinizing “Invisible” astatine: A challenge for modern density functionals
Authors: Sergentu Dumitru‐Claudiu , David Grégoire , Montavon Gilles , Maurice Rémi , Galland Nicolas
Published: April 2016

The main‐group 6p elements did not receive much attention in the development of recent density functionals. In many cases it is still difficult to choose among the modern ones a relevant functional for various applications. Here, we illustrate the case of astatine species (At, Z = 85) and we report the first, and quite complete, benchmark study on several properties concerning such species. Insights on geometries, transition energies and thermodynamic properties of a set of 19 astatine species, for which reference experimental or theoretical data has been reported, are obtained with relativistic (two‐component) density functional theory calculations. An extensive set of widely used functionals is employed. The hybrid meta‐generalized gradient approximation (meta‐GGA) PW6B95 functional is overall the best choice. It is worth noting that the range‐separated HSE06 functional as well as the old and very popular B3LYP and PBE0 hybrid‐GGAs appear to perform quite well too. Moreover, we found that astatine chemistry in solution can accurately be predicted using implicit solvent models, provided that specific parameters are used to build At cavities. © 2016 Wiley Periodicals, Inc.
Perceived Supports and Barriers for Career Development for Second‐Year STEM Students
Authors: Peña‐Calvo José‐Vicente , Inda‐Caro Mercedes , Rodríguez‐Menéndez Carmen , Fernández‐García Carmen‐María
Published: April 2016

Background

This study was designed to determine the effect of perceived supports and barriers on self‐efficacy beliefs and other social‐cognitive variables related to second‐year science, technology, engineering, and mathematics (STEM) students' career development. Social cognitive career theory (SCCT) states that career interest is influenced by four cognitive‐person variables: self‐efficacy beliefs, outcome expectations, interests, and goals. Other variables, such as social supports and barriers, also play an important role.

Purpose

This study explores the influence of gender and STEM major on perceived supports and barriers. It also analyzes the effects of perceived supports and barriers on the SCCT cognitive‐person variables.

Method

Participants were 811 sophomore students in STEM programs at the University of Oviedo, Asturias, Spain. Kruskal‐Wallis and Mann‐Whitney U tests analyzed the difference in the perceived supports and barriers by gender and students' major. Multiple‐group structural equation modeling was implemented to predict the relationship between perceived supports and barriers and SCCT cognitive‐person variables.

Results

The engineering students perceived more teaching staff barriers and fewer teaching staff supports than other students. Male software and hardware engineering students perceived more barriers than other male engineering students. The fit of the model revealed an important effect of perceived teaching staff supports on the four cognitive‐person variables.

Conclusions

To determine the influences on the cognitive‐person variables, it is necessary to analyze the perceived supports and barriers. Peers and family are the most important perceived supports, while teaching staff and financial difficulties are the greatest perceived barriers.
Latina/o Adolescents' Funds of Knowledge Related to Engineering
Authors: Wilson‐Lopez Amy , Mejia Joel Alejandro , Hasbún Indhira María , Kasun G. Sue
Published: April 2016

Background

According to a growing body of research, many Latinas/os experience dissonance between their everyday cultural practices and the cultural practices prevalent in engineering. This dissonance contributes to many Latinas/os' sense that engineering is “not for me.”

Purpose

This study sought to explore the meaning in the relationship between engineering cultural practices and the funds of knowledge found in Latina/o adolescents' familial, community, and recreational settings.

Design/Method

This ethnographic study followed seven groups of Latina/o adolescents as they identified problems in their communities and solved them through engineering design processes. Using a modified form of constant comparative analysis, we analyzed three data sources: individual interviews, observations of group meetings, and concurrent or retrospective protocols. We developed a coding scheme that categorized the participants' funds of knowledge as they related to engineering.

Results

The participants' everyday skills and bodies of knowledge aligned with engineering practices. Specifically, their familial, community, and recreational funds of knowledge mapped onto the application of engineering design processes, systems thinking, ethical and empathetic reasoning, knowledge of production and processing, use of communication and construction tools, scientific and mathematical knowledge, and teamwork.

Conclusions

Engineering instruction for Latina/o adolescents can be reconceptualized as a third space of learning and knowing where adolescents' everyday familial, community, and recreational practices are actively solicited and connected with the cultural practices of engineering.
Transition Metal Acetate Promoted Syntheses of Some New N‐Heterocycles by Multicomponent Reactions
Authors: Li Yisheng , Miao Jing , Liang Yuning , Chen Zilu , Zhang Zhong , Liang Fupei
Published: April 2016

The intermolecular cyclization reactions of N‐tosyl‐ethylenediamine with glyoxal promoted by transition metal acetate at different ratios gave three N‐heterocyclic compounds. The ligand in compound 1 contains one N‐heterocycle, which is formed by a one‐pot three‐component reaction. In compound 2, two imidazolidine rings and one piperazine ring are fused together to form a tricyclic skeleton by a one‐pot five‐component reaction. Two 1,3,6‐triazabicyclo[3.3.0]octanes are connected by one C–C bond to form the skeleton of 3, which is constructed from a one‐pot nine‐component reaction. It revealed that the key factor for the preparation of these compounds is the ratio of starting materials, as well as the presence of corresponding transition metal acetates.
Deep UV resonance Raman spectroscopic study on electron‐phonon coupling in hexagonal III‐nitride wide bandgap semiconductors
Authors: Jin Shaoqing , Zhang Ying , Fan Fengtao , Feng Zhaochi , Li Can
Published: April 2016

Electron–phonon coupling (EPC) is an important issue in semiconductor physics because of its significant influence on the optical and electrical properties of semiconductors. In this work, the EPC in wide bandgap semiconductors including hexagonal BN and AlN was studied by deep UV resonance Raman spectroscopy. Up to fourth‐order LO phonons are observed in the resonance Raman spectrum of hexagonal AlN. By contrast, only the prominent emission band near the band‐edge and the Raman band attributed to E2g mode are detected for hexagonal BN with deep UV resonance excitation. The different behavior in resonant Raman scattering between the III‐nitrides reflects their large difference in EPC. The mechanism for EPC in hexagonal BN is the short‐range deformation interaction, while that in hexagonal AlN is mainly associated with the weak long‐range Fröhlich interaction. Copyright © 2016 John Wiley & Sons, Ltd.
Profunda artery perforator flap for isolated vulvar defect reconstruction after oncological resection
Authors: Chang Tommy Nai‐Jen , Lee Che‐Hsiung , Lai Chyong‐Huey , Wu Chih‐Wei , Chang Chun‐Shin , Cheng Ming‐Huei , Huang Jung‐Ju
Published: April 2016

Isolated vulvar reconstruction using profunda artery‐based perforator flaps have good functional as well as quality of life restoration. Surgical techniques, complications, and final evaluation using questionnaires are presented.

Background

Vulvar reconstruction remains a great challenge to reconstructive surgeons. A local fasciocutaneous flap from the medial thigh is a good option with multiple choices of the donor arteries. Here, we extended the clinical application of a profunda perforator artery (PAP) flap with the design of an island pedicle flap.

Methods

From 2012 to 2015, 12 female patients with vulvar cancer received tumor ablation and immediate reconstruction using a PAP flap. The flaps (n = 19) were divided into V‐Y advancement perforator flap (group I, n = 4) and island pedicle perforator flap (group II, n = 15). All of the demographic data were collected and analyzed.

Results

All of the flaps were transferred successfully, and all of the donor sites were closed without morbidities. Group II was superior to group I because of the smaller required flap size (P = 0.004), the smaller defect size/flap size ratio (P = 0.001), and a lower rate of post‐op debridement (P = 0.037). The other parameters were not statistically significant.

Conclusions

PAP flap is a good choice for vulvar reconstruction. We preferred an island pedicle setting for its thin and pliable fasciocutaneous component and robust flap circulation. The favorable functional and aesthetic results can be achieved with limited donor site morbidities. J. Surg. Oncol. 2016;113:828–834. © 2016 Wiley Periodicals, Inc.
Rapid isolation, reliable characterization, and water solubility improvement of polymethoxyflavones from cold‐pressed mandarin essential oil
Authors: Russo Marina , Rigano Francesca , Arigò Adriana , Sciarrone Danilo , Calabrò Maria Luisa , Farnetti Sara , Dugo Paola , Mondello Luigi
Published: April 2016

Polymethoxyflavones possess many biological properties, as lipid‐lowering, hypoglycaemic, anti‐inflammatory, antioxidant, and anticancer activities, therefore, they may be employed as nutraceuticals or therapeutic agents. The scarcity of pure polymethoxyflavones on the market as well as their low water solubility limited in vivo studies and the use of polymethoxyflavones as food or pharmaceutical supplements. Since mandarin peels are a rich source of polymethoxyflavones, tangeretin, nobiletin, sinensetin, tetra‐O‐methyl scutellarein, and heptamethoxyflavone were purified from a nonvolatile residue of a cold‐pressed mandarin essential oil using a multidimensional preparative liquid chromatographic system coupled with a photodiode array detector and a single quadrupole mass spectrometer. A new prototype, consisting of a nano‐liquid chromatography system coupled with an electron ionization mass spectrometer, was used for the characterization of the pure isolated molecules. Finally, due to the collection of highly pure nobiletin and tangeretin, the ability of 2‐hydroxypropyl‐β‐cyclodextrin to enhance the water solubility of both polymethoxyflavones was evaluated by phase solubility studies and Job's plot method.
Efficiently Treated Sewage Sludge Supplemented with Nitrogen and Potassium Is a Good Fertilizer for Cereals
Authors: Tontti Tiina , Poutiainen Hannu , Heinonen‐Tanski Helvi
Published: April 2016

Sewage sludge contains phosphorus (P), nitrogen (N), potassium (K) and organic matter in both soluble and particulate forms. However, agricultural use of sludge is limited because of possible problems due to hygiene, heavy metals, inner quality variation and non‐balanced ratios of nutrients. We tested sustainable fertilization of cereals with (i) urea‐spiked granulated sludge, (ii) composted anaerobic sludge digestate, (iii) dried (dewatered), anaerobic thermophilic digestate sludge mixture and (iv) dried (dewatered) sludge. The sludge products were applied to barley and wheat with variable combinations of N and K supplements in Nordic climate. Sludge products supplemented with N and K and mineral NPK fertilizers containing soluble 70 kgN ha−1 achieved barley dry yields above 3500 kg ha−1. The grain N content was 22·3 g kg−1 in barley fertilized with granulated sludge fortified with NK (soluble N 83 kg ha−1), while grain N content was 20 g kg−1 when fertilized with 90 kgN ha−1 NPK. The wheat dry yields were 2890 and 2850 kg ha−1 fertilized with granulated sludge fortified with NK when soluble N was 49 kg ha−1 and NPK with 110 kgN ha−1 of these grains containing N 29·2 and 29·0 g kg−1. The results mean that correctly treated and formulated sludge products can be used. The risks caused by enteric microorganisms or heavy metals could be managed. The residual nitrate concentrations in soil were low. Sludge products could be developed by optimizing nutrient ratios and their structure. Sludge producers should provide farmers with detailed physicochemical data about each sludge portion. Copyright © 2016 John Wiley & Sons, Ltd.
Burkholderia genome mining for nonribosomal peptide synthetases reveals a great potential for novel siderophores and lipopeptides synthesis
Authors: Esmaeel Qassim , Pupin Maude , Kieu Nam Phuong , Chataigné Gabrielle , Béchet Max , Deravel Jovana , Krier François , Höfte Monica , Jacques Philippe , Leclère Valérie
Published: April 2016

Burkholderia is an important genus encompassing a variety of species, including pathogenic strains as well as strains that promote plant growth. We have carried out a global strategy, which combined two complementary approaches. The first one is genome guided with deep analysis of genome sequences and the second one is assay guided with experiments to support the predictions obtained in silico. This efficient screening for new secondary metabolites, performed on 48 gapless genomes of Burkholderia species, revealed a total of 161 clusters containing nonribosomal peptide synthetases (NRPSs), with the potential to synthesize at least 11 novel products. Most of them are siderophores or lipopeptides, two classes of products with potential application in biocontrol. The strategy led to the identification, for the first time, of the cluster for cepaciachelin biosynthesis in the genome of Burkholderia ambifaria AMMD and a cluster corresponding to a new malleobactin‐like siderophore, called phymabactin, was identified in Burkholderia phymatum STM815 genome. In both cases, the siderophore was produced when the strain was grown in iron‐limited conditions. Elsewhere, the cluster for the antifungal burkholdin was detected in the genome of B. ambifaria AMMD and also Burkholderia sp. KJ006. Burkholderia pseudomallei strains harbor the genetic potential to produce a novel lipopeptide called burkhomycin, containing a peptidyl moiety of 12 monomers. A mixture of lipopeptides produced by Burkholderia rhizoxinica lowered the surface tension of the supernatant from 70 to 27 mN·m−1. The production of nonribosomal secondary metabolites seems related to the three phylogenetic groups obtained from 16S rRNA sequences. Moreover, the genome‐mining approach gave new insights into the nonribosomal synthesis exemplified by the identification of dual C/E domains in lipopeptide NRPSs, up to now essentially found in Pseudomonas strains.
Panthotenate Kinase‐Associated Neurodegeneration Has a Founder Mutation (c.215_216insa) in Indian Agrawal Patients
Authors: Udani Vrajesh , Das Soma , Chhabria Rahul
Published: April 2016

The early‐onset classic form of panthotenate kinase‐associated neurodegeneration (PKAN) is a rare genetic disorder of brain iron deposition associated with mutations in the pantothenate kinase 2 gene. Genetic testing was performed in 17 patients with early‐onset classic PKAN and 2 atypical patients identified from a clinic database. Seventeen patients with early‐onset classic disease exhibited pathogenic mutations in the panthotenate kinase 2 (PANK2) gene. One atypical patient had an indeterminate result and the other atypical case was later confirmed to have late‐onset GM1 gangliosidosis. Of the 17, 13 belonged to the Agrawal community, with a common truncating mutation, c.215_216insA, in the homozygous state in all, which is highly suggestive of a founder effect. Of the remaining 4 patients, 2 had novel mutations. PKAN is the third neurological disease after megelencephalic leukoencephalopathy with subcortical cysts and calpainopathy with founder mutations in the Agrawal community.
Tics as a model of over‐learned behavior—imitation and inhibition of facial tics
Authors: Brandt Valerie Cathérine , Patalay Praveetha , Bäumer Tobias , Brass Marcel , Münchau Alexander
Published: April 2016

Background

Tics are the defining feature in Tourette syndrome and can be triggered by watching tics or single voluntary movements. This automatic imitation of movements referred to as “echopraxia” has been ascribed to a failure in top‐down inhibition of imitative response tendencies. Alternatively, it could be interpreted in the context of automatic overlearned behavior. To this end, we investigated 18 Tourette patients aged 28.22 years (9.44 standard deviation; 16 male) and 24 healthy controls (mean age 29.21 years [9.1 standard deviation]; 17 male) using an adapted version of an action‐interference paradigm.

Methods

Patients were asked to respond to 2 different auditory tones with either a facial movement that was part of their tic repertoire (tic‐like movement), or a facial movement that was not (nontic movement). Simultaneously, behaviorally irrelevant videos of the 2 same facial movements were presented, which were either compatible or incompatible with the movement executed by the patient. Movements in healthy controls were matched to those in the patients.

Results

Healthy participants responded faster in compatible than in incompatible trials. Tourette patients showed the same effect for nontic movements. However, their responses were equally fast in incompatible and compatible trials when the movement they were asked to execute was a tic‐like movement. Error rates did not differ between the groups.

Conclusions

The results suggest that tic‐like movements do not occur as a consequence of a failure to inhibit motor output. Instead, tics might be considered highly overlearned behavior that can be triggered without interference by external, incompatible movement stimuli. © 2016 International Parkinson and Movement Disorder Society
Biomechanical assessment of fixation methods for segmental mandible reconstruction with fibula in the polyurethane model
Authors: Fontana Stefani C. , Smith Russell B. , Nazir Niaman , Andrews Brian T.
Published: April 2016

Background

A variety of plating techniques are employed by microsurgeons to provide rigid fixation for vascularized bone constructs of the mandible. The aim of this study was to biomechanically compare three commonly utilized plating techniques for rigid fixation of fibula bone flaps in reconstructing lateral segmental mandibular defects.

Materials and Methods

Polyurethane mandibles with 3‐cm segmental defects were reconstructed using polyurethane fibula models. Three fixation techniques were compared (n = 5 models per group): Group 1 used two 2.0‐mm miniplates at each osteotomy site, Group 2 used a single 2.3‐mm plate, and Group 3 used a single 2.7‐mm plate. Biomechanical testing of maximum force and displacement at failure for each plating technique was assessed and statistical comparison performed.

Results

The average displacement for Group 1 was 14.08 ± 1.42 mm, Group 2 was 5.79 ± 0.89 mm, and Group 3 was 6.03 ± 1.59 mm. Group 1 had significantly greater (P < 0.05) displacement when compared with Group 2 and 3. Analysis of variance demonstrated the three groups varied significantly in mean displacement (0 < 0.01). The average force before failure for Group 1 was 616.4 ± 33.83N, Group 2 was 737.8 ± 72.57N, and Group 3 was 681.0 ± 67.98N. Group 2 withstood significantly greater force than Group 1 (P < 0.05), and withstood greater force than Group 3, although the difference was not significant. Analysis of variance showed the three groups varied significantly in mean force at failure (P < 0.05).

Conclusion

Reconstruction using a single 2.3‐mm plate provided the best rigid fixation for lateral segmental defects of the mandible. © 2016 Wiley Periodicals, Inc. Microsurgery 36:330–333, 2016.
Dorsal approach for vascular repairs in distal finger replantations
Authors: Kabakaş Fatih
Published: April 2016

Introduction

Distal finger replantations are technically difficult operations due to small vessel sizes and narrow field of vision. The results of 25 distal finger replantations performed by dorsal approach are presented. The technical benefits and details of this technique is discussed with a literature review. Patients and methods: Twenty‐five distal finger replantations were performed by dorsal approach. In dorsal approach volar skin was repaired first and arterial and venous repairs were performed from dorsal side before bone fixation and nailbed repair. Twenty‐one cases were Tamai zone I amputations 4 cases were Tamai zone II amputations. 3 amputations were in children and the other patients were adults. Nine amputations were transverse type and the others were oblique amputations. Results: Twenty‐three fingers survived and 2 fingers were lost despite revision surgeries (92% success rate). Dorsal approach provided about 2 times wider exposures compared to the volar approach. Fourteen patients had external bleeding to prevent congestion. Mean duration of external bleeding was 6.8 days (range, 6 − 8 days). Mean hospitalization period was 7.7 days (range, 6 − 10 days). The mean follow up period was 13 months (range, 6 − 28 months). Six patients had nail deformity. Four patients had pulp atrophy. Three patients had restriction of range of motion in distal interphalangeal joint. Conclusion: Dorsal approach provides a better exposure of vessel repair sites without tension and helps in technical difficulties of distal finger replantation. All types of distal finger amputations are amenable to dorsal approach for vascular repairs and oblique amputations are ideal ones. © 2016 Wiley Periodicals, Inc. Microsurgery, 2016. © 2015 Wiley Periodicals, Inc. Microsurgery 36:628–636, 2016.
Uniform stability for solutions of a structural acoustics PDE model with no added dissipative feedback
Authors: Avalos George , Geredeli Pelin G.
Published: April 2016

A rate of rational decay is obtained for smooth solutions of a PDE model, which has been used in the literature to describe structural acoustic flows. This structural acoustics model is composed of two distinct PDE systems: (i) a wave equation, to model the interior acoustic flow within the given cavity Ω and (ii) a structurally damped elastic equation, to describe time‐evolving displacements along the flexible portion Γ0 of the cavity walls. Moreover, the extent of damping in this elastic component is quantified by parameter η∈[0,1]. The coupling between these two distinct dynamics occurs across the boundary interface Γ0. Our main result is the derivation of uniform decay rates for classical solutions of this particular structural acoustic PDE, decay rates that are obtained without incorporating any additional boundary dissipative feedback mechanisms. In particular, in the case that full Kelvin–Voight damping is present in fourth‐order elastic dynamics, that is, the structural acoustics system as it appears in the literature, solutions that correspond to smooth initial data decay at a rate of
. By way of deriving these stability results, necessary a priori inequalities for a certain static structural acoustics PDE model are generated here; these inequalities ultimately allow for an application of a recently derived resolvent criterion for rational decay. Copyright © 2016 John Wiley & Sons, Ltd.
Dispersion Photopolymerization of Acrylated Oligomers Using a Flexible Continuous Reactor
Authors: Roose Patrice , Berlier Michel , Lazzaroni Roberto , Leclère Philippe
Published: April 2016

The photopolymerization of acrylated oligomers dispersed in an aqueous medium is successfully demonstrated using a simple continuous photoreactor designed with flexible tubing, which presents straightforward up‐scaling and maintenance features. The performance of the continuous photoreactor is assessed by varying the length of the tube exposed to ultraviolet light as well as the flow rate of the aqueous dispersion thr ough the reactor. The insoluble nature of the dispersed particles after in‐situ photo‐crosslinking is particularly suitable for the estimation of the actual number of polymerized particles from static and dynamic light scattering data. The procedure is discussed in detail. Along with the overall acrylate double bond conversion of the particles determined by infrared spectroscopy, an estimation of the average conversion per polymerized particle is provided as a function of the exposure time to ultraviolet light. The sub‐microscopic characterization by peak‐force tapping atomic force microscopy of the particles after photopolymerization is also presented.

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The Effectiveness of Psychosocial Interventions as Adjuncts to Orthopaedic Surgery: A Systematic Review Protocol
Authors: Kekecs Zoltan , Szeverenyi Csenge , Johnson Alisa , Elkins Gary , Csernatony Zoltan , Varga Katalin
Published: April 2016

Aims

Pain and anxiety are commonly reported among those undergoing orthopaedic surgery. Improvement in anxiety and pain control might be achieved by supplementing standard care with psychological interventions. However, the effectiveness of adjunctive psychosocial interventions in anxiety and pain control have not been addressed sufficiently by previous systematic reviews in orthopaedic surgeries. The present study aimed to assess the effectiveness of adjunctive psychosocial techniques to improve perioperative clinical care in orthopaedic surgery, to identify the most effective intervention types and to evaluate potential moderators.

Methods

We will perform a systematic review and meta‐analysis to address the study aims. PubMed, PsycINFO, CINAHL and ProQuest Dissertations & Theses will be searched between 1980 and 2015. Prospective controlled clinical trials completed in adults, contrasting standard care and standard care supplemented with psychosocial methods, will be eligible for inclusion. Effectiveness will be assessed through the outcomes of postoperative pain intensity, analgesic requirement, perioperative anxiety, quality of life and postoperative recovery. The results of a random‐effect meta‐analysis will be reported. To aid implementation of best practice, moderating effects of the type and timing of psychosocial intervention, type of surgical intervention and type of anaesthesia will be evaluated through meta‐regression. Sensitivity analyses and subgroup contrasts will follow as necessary.

Discussion

Recommendations will be made to improve medical care in orthopaedic procedures. The quality of evidence will be rated using GRADE criteria. Copyright © 2016 John Wiley & Sons, Ltd.
An efficient multigrid algorithm for heterogeneous acoustic media sign‐indefinite high‐order FEM models
Authors: Ganesh Mahadevan , Morgenstern Charles
Published: April 2016

Large‐scale scientific computing models are needed for the simulation of wave propagation especially for multiple frequency and high‐frequency models in complex heterogeneous media. Multigrid methods provide efficient iterative solvers for many large sign‐definite systems of equations resulting from physical models. Time‐harmonic wave propagation models lead to sign‐indefinite systems with eigenvalues in the left half of the complex plane. Thus standard multigrid approaches applied in conjunction with a low‐order finite difference or finite element method are not sufficient. In this work, we describe a high‐order finite element method model for multiple (low to high) frequency time‐harmonic acoustic wave propagation on general curved, non‐convex, and non‐smooth domains with heterogeneous media using a multigrid approximation of the shifted Laplacian operator as a preconditioner. We implement the model using an efficient geometric multigrid approach with parallel grid transfer operator calculations to simulate the model using the BiCGStab iterative solver. We demonstrate the efficiency and parallel performance of the computational model with multiple low (5 wavelength) to high‐frequency (100 wavelength) input incident waves. Copyright © 2016 John Wiley & Sons, Ltd.
Synergistic effect of thermally conductive networks in crystalline polymer composites
Authors: Zhao Tianbao , Zhang Xianlong
Published: April 2016

In this article, the synergistic effect of the thermally conductive networks in polyethylene (PE) composites was investigated. When the filler ratio was boron nitride (BN): aluminum nitride (AlN): aluminum oxide (Al2O3) = 20:5:5, the PE/hybrid fillers (BN/AlN/Al2O3) composites had the highest thermal conductivity. It demonstrated the synergistic effect of the hybrid fillers without whiskers of the fillers in the PE composites. The gel point showed the Φc (PE/Al2O3) = 37.4 and the Φc (PE/BN) = 42.7 through rheological measurement. Simultaneously, the gel point of the PE/hybrid fillers composites was not observed during the whole measurement range. However, the PE/hybrid fillers composite had the highest thermal conductivity than other composites. As a comparative investigation, the gel point of the PS/BN composites was studied, and the results showed that the Φc (PS/BN) was lower than the Φc (PN/BN). However, the thermal conductivity of the PE/BN composite was higher than that of the PS/BN composite at the same BN content. This result also indicated that additional thermally conductive paths, which were built in form of the filler–crystal–filler, may exist in the PE/BN composites. Therefore, the synergistic effect of the filler–crystal–filler network and fillers particle networks resulted in higher the thermal conductivity of the PE/BN composite in comparison with that of the PS/BN composites. POLYM. COMPOS., 39:1041–1050, 2018. © 2016 Society of Plastics Engineers
Prenatal diagnosis of functionally univentricular heart, associations and perinatal outcomes
Authors: Wolter Aline , Nosbüsch Sina , Kawecki Andreea , Degenhardt Jan , Enzensberger Christian , Graupner Oliver , Vorisek Carina , Akintürk Hakan , Yerebakan Can , Khalil Markus , Schranz Dietmar , Ritgen Jochen , Stressig Rüdiger , Axt‐Fliedner Roland
Published: April 2016

Objective

Functionally univentricular hearts (UVHs) represent cardiac anomalies in which either the pulmonary or systemic circulation cannot be supported independently. The purpose of our study was to determine perinatal outcomes after prenatal diagnosis of functionally UVH.

Methods

We retrospectively evaluated patients who presented between 2008 and June 2015 in our centre and in prenatal practice praenatal.de in Cologne. We included double inlet left ventricle (DILV), tricuspid valve atresia (TA), pulmonary valve atresia and intact ventricular septum (PA:IVS), unbalanced atrioventricular septal defect (AVSD), heterotaxy, hypoplastic left heart syndrome (HLHS) and hypoplastic left heart complex (HLHC).

Results

Of initially 155 patients, 128 were liveborn (82.6%). Ten neonates (7.8%) were lost to follow‐up, in three (2.5%) neonates, parents decided for compassionate care. Overall survival after prenatal diagnosis of functionally UVH was 67.1%, and 90.4% on an intention‐to‐treat basis. Survival after surgery reached 93.7%. The majority of deaths occurred within the group of dominant RV (10/74, 13.5%). High risk HLHS with restrictive foramen ovale was associated with the lowest survival rate (13/17, 76.5%) with significant difference compared to survival rate in dominant LV (40/41, 97.6%, p < 0.05).

Conclusion

These results should be explained to parents to ensure informed decisions and counselling. © 2016 John Wiley & Sons, Ltd.
Present to future: what the reasons for declining first‐trimester combined testing tell us about accepting or declining cell‐free DNA testing
Authors: Crombag Neeltje M. T. H. , van Schendel Rachel V. , Schielen Peter C. J. I. , Bensing Jozien M. , Henneman Lidewij
Published: April 2016

What's Already Known About This Topic?

Women include their attitudes towards Down syndrome and termination of pregnancy, as well as adverse test characteristics, in their considerations about participation in first‐trimester combined testing (FCT).

Concerns have been raised about the ‘routinisation’ of prenatal screening with the introduction of non‐invasive prenatal screening using cell‐free DNA (cfDNA).

What Does This Study Add?

Women who would decline FCT for test‐related reasons are possibly more likely to accept the safer cfDNA test.

Women who decline FCT for reasons relating to attitudes towards Down syndrome and termination of pregnancy are more likely to decline cfDNA testing as well, or to see its value in preparing for the birth of a child with a disability.
Lithium polymer electrolytes containing oligomeric imidazolium ionic liquids
Authors: Gładka Dorota , Omiotek Agnieszka , Gosiewska Patrycja , Langwald Norbert , Florjańczyk Zbigniew , Kubisa Przemysław , Biedroń Tadeusz , Zygadło‐Monikowska Ewa
Published: April 2016

New polymer electrolytes for lithium ion batteries with enhanced operational safety with the addition of room temperature imidazolium ionic liquids are reported. Imidazolium salts modified by us were applied as ionic liquids, which, for higher reduction potential stability, were substituted at position C2 with oligooxyethylene groups of various length ([BuMeIm nEO]+X−, where n = 3.5, 7, 8.4 and X = CF3SO3, BF4, N(CF3SO2)2). Poly(ethylene oxide) (PEO), copolymers of vinylidene fluoride with hexafluoropropylene (p(VdF‐co‐HFP)) and of acrylonitrile with butyl acrylate (p(AN‐co‐BuA)) were utilized as polymer matrices. Thermal and electrochemical characterizations of the obtained electrolytes were carried out. On the basis of impedance measurements, the ionic conductivity and lithium transference numbers were determined. The best conducting properties were shown by systems with an ionic liquid [BuMeIm 3.5EO]+TFSI− and PEO or p(VdF‐co‐HFP) characterized by ambient temperature ionic conductivity of the order of 10−5 S cm−1. On the basis of polarization measurements by the variable‐current method, the proportion of lithium cations in electric charge transfer was determined. The values obtained were low, as those typically obtained for ionic liquids (they do not exceed several percent), except for some cases, for which a value of 0.4 was reached. © 2016 Society of Chemical Industry
The structure of electronically excited α,β‐unsaturated lactones
Authors: Fréneau Maxime , de Sainte‐Claire Pascal , Abe Manabu , Hoffmann Norbert
Published: April 2016

A better knowledge of the structure of the electronically excited state of substrates is indispensable for the understanding and optimization of photochemical reactions. For this study, triplet energies of a variety of α,β‐unsaturated γ‐lactones (furanones) as well as the structures of the vibrationally relaxed triplet state (T1) have been determined using ab initio coupled‐cluster (CCSD) method and/or density functional theory (DFT) calculation. A twist of the original planar structure around C = C bond is found in the relaxed triplet state, π‐π*. In the 5‐membered ring of furanones the contribution of this mode is limited and the pyramidalization in the C4 position also contributes to the stabilization. The contribution of each stabilization mode is characterized by the dihedral angles and the Mulliken atomic spin densities. The substituent effect on the pyramidalization and the spin density distribution in the C4 and in the C5 position are reported. Depending on the substitution in the C4 position, the orientation of the pyramidalization is either favored syn or anti with respect of the hydroxyl substituent in the C5 position. Copyright © 2016 John Wiley & Sons, Ltd.
Influence of imidazole‐based acidity control of PEDOT:PSS on its electrical properties and environmental stability
Authors: Cho Ahra , Kim Seyul , Kim Soyeon , Cho Wonseok , Park Chanil , Kim Felix Sunjoo , Kim Jung Hyun
Published: April 2016

Poly(3,4‐ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) has been studied for a wide range of applications due to its potential as a transparent electrode. Herein, the use of imidazole and its derivatives as a neutralizing additive for PEDOT:PSS dispersion and in‐depth studies of their effects in terms of electrical properties and stability is reported. Although the neutralization in general reduces the electrical conductivity of PEDOT:PSS, the conductivity after imidazole treatment (685.2 S cm−1) is higher than that after treatment of other derivatives. Spectroscopic and thermoelectric studies show that the de‐doping effect resulted in the conductivity reduction. As a trade‐off of the conductivity reduction, greatly enhanced long‐term stability and noncorrosive characteristics are obtained after neutralization. The change in sheet resistance of imidazole‐treated PEDOT:PSS after 500 h under harsh conditions (85 °C and 85% humidity) is half that of the untreated samples, demonstrating the great enhancement of the stability. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2016, 54, 1530–1536
Comparing the meanings of living with advanced breast cancer between women resilient to distress and women with persistent distress: a qualitative study
Authors: Lam W. W. T. , Yoon S. W. , Sze W. K. , Ng A. W. Y. , Soong I. , Kwong A. , Suen D. , Tsang J. , Yeo W. , Wong K. Y. , Fielding R.
Published: April 2016

Background

Most women with advanced breast cancer (ABC) show little distress, but about one in ten show persistent distress over time. It remains unclear if meanings ascribed by patients to ABC differentiate these distress trajectories.

Study aims

This qualitative study (a) compared illness meanings of ABC between women with persistent psychological distress and those with low/transient distress, and (b) examined how illness meanings might influence coping strategies.

Methods

The sample was drawn from a prior quantitative study exploring psychological distress trajectories following ABC diagnosis. Overall, 42 Cantonese‐ or Mandarin‐speaking Chinese women diagnosed with locally advanced or metastatic ABC were recruited based on their distress trajectory status (low‐stable, transient, or persistent distress). Interviews were recorded, transcribed, and analyzed following grounded theory approach using simultaneous analysis.

Results

Women with persistent distress viewed their diagnosis as another blow in life, the illness was global, permeating every aspect of their life. Maladaptive rumination and thought suppression were common responses to illness demands. These women had poor social support. A sense of demoralization stood out in their narratives. In contrast, women with transient/low‐stable distress encapsulated the illness, with minimum impacts of their life. They did not evidence dysfunctional repetitive thoughts. Living in a supportive environment, they were able to accept and/or live in the present‐moment.

Conclusions

Rumination, thought suppression, social constraints, and pre‐existing exposure to life stress may be potential risks for chronic distress in response to advanced breast cancer. Persistent and transient distress responses to cancer may have different underpinnings. Copyright © 2016 John Wiley & Sons, Ltd.
Plasma Treatment of Onychomycosis
Authors: Xiong Zilan , Roe Jeffrey , Grammer Timothy C. , Graves David B.
Published: April 2016

We report on the use of three “cold” atmospheric plasma (CAP) devices in treating model nails that have been coated on the backside of the nail with either Escherichia coli (E. coli) bacteria or Trichophyton rubrum (T. rubrum) fungus. We tested a helium plasma jet; a surface microdischarge plasma device; and a floating electrode dielectric barrier discharge. All of the devices, acting through the model nail, showed significant log reductions of bacterial and fungal targets in several tens of minutes. CAP technology appears to offer promise as a safe, effective, and inexpensive therapy for fungal nail infection treatment.
Dose Optimization of Efavirenz Based on Individual CYP2B6 Polymorphisms in Chinese Patients Positive for HIV
Authors: Hui KH , Lee SS , Lam TN
Published: April 2016

The purpose of this study was to investigate the impact of CYP2B6‐G516T polymorphisms on the pharmacokinetics (PKs) of efavirenz among the Chinese population and to propose doses for different genotypic populations that optimize therapeutic outcomes. Nonlinear mixed‐effect modeling was applied to describe PKs of efavirenz in Chinese patients with human immunodeficiency virus (HIV). Probabilities of successful treatment at different doses were obtained by simulations using the developed model to identify the optimal doses. The model was based on data from 163 individuals. Efavirenz clearance was found to be significantly influenced by CYP2B6‐G516T polymorphisms and body weight. The typical values of oral clearance were 10.2 L/h, 7.33 L/h, and 2.38 L/h and simulation results suggested that the optimal daily oral doses are 550 mg, 350 mg, and 100 mg for the GG, GT, and TT populations, respectively. The effect of CYP2B6‐G516T polymorphisms on efavirenz clearance was successfully quantified. Pharmacogenetics‐based dose individualization of efavirenz may optimize patient outcomes by promoting efficacy while minimizing central nervous system (CNS) side effects.
Determination of the extracellular acidification of Escherichia coli K12 with a multi‐chamber‐based LAPS system
Authors: Dantism Shahriar , Takenaga Shoko , Wagner Patrick , Wagner Torsten , Schöning Michael J.
Published: April 2016

On‐line monitoring of the metabolic activity of microorganisms involved in intermediate stages of biogas production plays an important role to avoid undesirable “down times” during the biogas production. In order to control this process, an on‐chip differential measuring system based on the light‐addressable potentiometric sensor (LAPS) principle combined with a 3D‐printed multi‐chamber structure has been realized. As a test microorganism, Escherichia coli K12 (E. coli K12) were used for cell‐based measurements. Multi‐chamber structures were developed to determine the metabolic activity of E. coli K12 in suspension for a different number of cells, responding to the addition of a constant or variable amount of glucose concentrations, enabling differential and simultaneous measurements.

Multi‐chamber differential measurement setup based on the LAPS principle; RE, reference electrode.
Extremely low color‐temperature white organic electroluminescence devices based on the control of exciton recombination zone
Authors: Li Weiling , Sun Chang , Yang Lianqiao , Zhu Wenqing , Zhang Hao , Cai Miao , Zhang Xiaowen , Wei Bin
Published: April 2016

We reported high‐performance organic light‐emitting diodes (OLEDs) with a maximum efficiency of 42.3 lm W−1 and color rendering index of 92 by facilitating charge carrier transportation and controlling the recombination zone. In addition, we demonstrated that inserting a thin interlayer in emitting layer prevented energy transfer between blue and green emission layers, providing a relative chromatic‐stability OLEDs. Furthermore, the device also exhibit a rather low correlated color temperature (2202 K), corresponding to an excellent warm WOLED, which could meet the special requirement of energy saving and environment protection.
Necessary exponential stability conditions for linear periodic time‐delay systems
Authors: Gomez Marco A. , Ochoa Gilberto , Mondié Sabine
Published: April 2016

Exponential stability necessary conditions for linear periodic time‐delay systems are presented. They are obtained with the help of new properties of the Lyapunov matrix in the framework of Lyapunov–Krasvoskii functionals of complete type. An academic example illustrates our results. Copyright © 2016 John Wiley & Sons, Ltd.
Changes in surface characteristics of two different resin composites after 1 year water storage: An SEM and AFM study
Authors: Tekçe Neslihan , Pala Kansad , Demirci Mustafa , Tuncer Safa
Published: April 2016

To evaluate changes in surface characteristics of two different resin composites after 1 year of water storage using a profilometer, Vickers hardness, scanning electron microscopy (SEM), and atomic force microscopy (AFM). A total of 46 composite disk specimens (10 mm in diameter and 2 mm thick) were fabricated using Clearfil Majesty Esthetic and Clearfil Majesty Posterior (Kuraray Medical Co, Tokyo, Japan). Ten specimens from each composite were used for surface roughness and microhardness tests (n = 10). For each composite, scanning electron microscope (SEM, n = 2) and atomic force microscope (AFM, n = 1) images were obtained after 24 h and 1 year of water storage. The data were analyzed using two‐way analysis of variance and a post‐hoc Bonferroni test. Microhardness values of Clearfil Majesty Esthetic decreased significantly (78.15–63.74, p = 0.015) and surface roughness values did not change after 1 year of water storage (0.36–0.39, p = 0.464). Clearfil Majesty Posterior microhardness values were quite stable (138.74–137.25, p = 0.784), and surface roughness values increased significantly (0.39–0.48, p = 0.028) over 1 year. One year of water storage caused microhardness values for Clearfil Majesty Esthetic to decrease and the surface roughness of Clearfil Majesty Posterior increased. AFM and SEM images demonstrated surface detoration of the materials after 1 year and ensured similar results with the quantitative test methods. SCANNING 38:694–700, 2016. © 2016 Wiley Periodicals, Inc.
A rank test for bivariate time‐to‐event outcomes when one event is a surrogate
Authors: Shaw Pamela A. , Fay Michael P.
Published: April 2016

In many clinical settings, improving patient survival is of interest but a practical surrogate, such as time to disease progression, is instead used as a clinical trial's primary endpoint. A time‐to‐first endpoint (e.g., death or disease progression) is commonly analyzed but may not be adequate to summarize patient outcomes if a subsequent event contains important additional information. We consider a surrogate outcome very generally as one correlated with the true endpoint of interest. Settings of interest include those where the surrogate indicates a beneficial outcome so that the usual time‐to‐first endpoint of death or surrogate event is nonsensical. We present a new two‐sample test for bivariate, interval‐censored time‐to‐event data, where one endpoint is a surrogate for the second, less frequently observed endpoint of true interest. This test examines whether patient groups have equal clinical severity. If the true endpoint rarely occurs, the proposed test acts like a weighted logrank test on the surrogate; if it occurs for most individuals, then our test acts like a weighted logrank test on the true endpoint. If the surrogate is a useful statistical surrogate, our test can have better power than tests based on the surrogate that naively handles the true endpoint. In settings where the surrogate is not valid (treatment affects the surrogate but not the true endpoint), our test incorporates the information regarding the lack of treatment effect from the observed true endpoints and hence is expected to have a dampened treatment effect compared with tests based on the surrogate alone. Published 2016. This article is a U.S. Government work and is in the public domain in the USA.
Binap and Phosphoramidites as Privileged Chiral Ligands for the Metal‐Catalyzed Enantioselective 1,3‐Dipolar Cycloaddition of Azomethine Ylides
Authors: Nájera Carmen , Sansano José M.
Published: April 2016

2,2′‐Bis(diphenylphosphino)‐1,1′‐binaphthyl (binap) and phosphoramidites are privileged chiral ligands that have been tested in the coinage‐metal‐catalyzed 1,3‐dipolar cycloadditions of metalloazomethine ylides and electrophilic alkenes. Silver(I), copper(II), and gold(I) salts have been evaluated in all of these reactions. Maleimides, acrylates, fumarates, 1,2‐bis(phenylsulfonyl)ethylene, and enones reacted with imino esters to give the corresponding endo‐prolinates, such as hepatitis C (HCV) inhibitors, in high diastereo‐ and enantioselectivity using either binap–silver and –gold(I) or phosphoramidite–silver complexes. In the case of nitroalkenes, exo‐4‐nitroprolinates were obtained using silver or copper(II) phosphoramidite complexes. Azlactones reacted with maleimides and acrylates to give pyrrolines only in the presence of binap–gold(I) complexes. The observed enantioselectivity and mechanism of these 1,3‐dipolar cycloadditions were studied for the most relevant examples by means of DFT calculations.