bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Dendritic Nanostructured Copper Oxide Electrocatalyst for the Oxygen Evolution Reaction
Authors: Huan Tran Ngoc , Rousse Gwenaëlle , Zanna Sandrine , Lucas Ivan T. , Xu Xiangzhen , Menguy Nicolas , Mougel Victor , Fontecave Marc 
Published: April 2017

AbstractTo use water as the source of electrons for proton or CO2 reduction within electrocatalytic devices, catalysts are required for facilitating the proton‐coupled multi‐electron oxygen evolution reaction (OER, 2 H2O→O2+4 H++4 e−). These catalysts, ideally based on cheap and earth abundant metals, have to display high activity at low overpotential and good stability and selectivity. While numerous examples of Co, Mn, and Ni catalysts were recently reported for water oxidation, only few examples were reported using copper, despite promising efficiencies. A rationally designed nanostructured copper/copper oxide electrocatalyst for OER is presented. This material derives from conductive copper foam passivated by a copper oxide layer and further nanostructured by electrodeposition of CuO nanoparticles. The generated electrodes are highly efficient for catalyzing selective water oxidation to dioxygen with an overpotential of 290 mV at 10 mA cm−2 in 1 m NaOH solution.
Preparation, characterization, biological activity, density functional theory calculations and molecular docking of chelates of diazo ligand derived from m‐phenylenediamine and p‐chlorophenol
Authors: Mahmoud Walaa H. , Mohamed Gehad G. , Refat Ahmed M. 
Published: April 2017

A novel azo dye ligand, 2,2′‐(1,3‐phenylenebis(diazene‐2,1‐diyl))bis(4‐chlorophenol), was synthesized from the diazotization of m‐phenelyenediamine and coupling with p‐chlorophenol in alkaline medium. Mononuclear Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) complexes of the azo ligand (H2L) were prepared and characterized using elemental analyses, infrared spectroscopy, electron spin resonance, magnetic susceptibility, conductance measurements and thermal analyses. The UV–visible, 1H NMR and mass spectra of the ligand and its chelates were also recorded. The analytical data showed that the metal‐to‐ligand ratio in the mononuclear azo complexes was 1:1. Diffuse reflectance and magnetic moment measurements revealed the complexes to have octahedral geometry. The infrared spectral data showed that the chelation behaviour of the ligand towards transition metal ions was through phenolic oxygen and azo nitrogen atoms. The electronic spectral results indicated the existence of π → π* (phenyl rings) and n → π* (─N═N) and confirmed the mentioned structure. Molar conductivity revealed the non‐electrolytic nature of all chelates. The presence of water molecules in all complexes was supported by thermal studies. Molecular docking was used to predict the binding between H2L and the receptors of breast cancer mutant 3hb5‐oxidoreductase, crystal structure of Escherichia coli (3 t88) and crystal structure of Staphylococcus aureus (3q8u). The molecular and electronic structure of H2L was optimized theoretically and the quantum chemical parameters were calculated. In addition, the effects of the H2L azo ligand and its complexes on the inhibition of bacterial or fungal growth were evaluated. The prepared complexes had enhanced activity against bacterial or fungal growth compared to the H2L azo ligand.
Surface‐confined electropolymerization of pyronin Y in the graphene composite paper structure for the amperometric determination of dopamine
Authors: Kıranşan Kader Dağcı , Topçu Ezgi , Alanyalıoğlu Murat 
Published: April 2017

ABSTRACTSurface‐confined electropolymerization allowed us to easily prepare homogeneous polymer composite paper structures. The fabrication of freestanding graphene (Gr)‐based composite electrodes is very important for many modular approaches in electrochemical applications, such as fuel cells, supercapacitors, and sensors. A Gr composite paper electrode doped with polymeric films of pyronin Y was fabricated by two repetitive simple applications: vacuum filtration and surface‐confined electropolymerization. The characterization of this composite paper was done with scanning tunneling microscopy, scanning electron microscopy, X‐ray photoelectron spectroscopy, powder X‐ray diffraction spectroscopy, Raman spectroscopy, UV–visible absorption spectroscopy, four‐point probe conductivity measurement, cyclic voltammetry, and electrochemical impedance spectroscopy. The freestanding composite paper demonstrated good electrocatalytic activity for the electrooxidation of dopamine; this indicated that this composite paper could be used for the amperometric quantification of dopamine in real samples. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45139.
Exchanging Alkyl Groups through Unstrained C−C Bond Cleavage in the Presence of a Copper Catalyst
Authors: Wada Masaru , Noda Yushi , Nishikata Takashi 
Published: April 2017

AbstractAlthough numerous reports exist on strained C−C bond cleavage reactions in aryl substitutions, the cleavage methodology for unstrained C−C bonds in alkylation reactions has not yet been established. We found that unstrained allylic C−C bonds can be cleaved using α‐radicals to form C(sp3)−C(sp3) bonds in the presence of a copper catalyst. In this reaction, the property of leaving and loading radicals is very important for radical fragmentations. In this paper, we investigated the effects of these properties in cleavage reactions for unstrained C−C bonds.
Untersuchungen zum Einfluss einer nachträglichen Wärmebehandlung auf das Dämmverhalten von Holzfaserplatten
Authors: Brombacher Volker , Michel Franco , Scheiding Wolfram , Torres Uribe Marco , Niemz Peter 
Published: April 2017

AbstractAn unter Variation der Zerfaserungsbedingungen hergestelltem Faserstoff und an Holzfaserdämmplatten wurde die Wärmeleitfähigkeit bestimmt, um das Dämmverhalten der Faserplatten zu optimieren. Die Faserstoffe wurden dazu thermisch nachvergütet. Durch nachträgliche Wärmebehandlung kann eine Reduzierung der Gleichgewichtsfeuchte und damit auch der Wärmeleitzahl erreicht werden.
Energieeffizienzklassen der VDI 4610 – Beispiel Rohrdämmungen in der EnEV
Authors: Schreiner Roland 
Published: April 2017

AbstractDer Wärme‐ und Kälteschutz von betriebstechnischen Anlagen in der Industrie und in der technischen Gebäudeausrüstung ist eine wesentliche Komponente bei der Reduzierung von Energieverlusten und ermöglicht den Betreibern die Anlage energieeffizient zu nutzen. Die VDI‐Richtlinie 4610 Blatt 1 „Energieeffizienz betriebstechnischer Anlagen – Aspekte des Wärme‐ und Kälteschutzes” ist das Grundlagendokument dafür. Hier sind zur Klassifizierung von technischen Dämmsystemen sieben Energieeffizienzklassen definiert.In Deutschland werden die Dämmschichtdicken für Rohrleitungen von Heizungsanlagen als Bestandteil der technischen Gebäudeausrüstung in der Energieeinsparverordnung (EnEV) vorgeschrieben. Aus der Anwendung der VDI 4610 Blatt 1 auf Rohrdämmungen ergeben sich mögliche Weiterentwicklungen der EnEV in Bezug auf die Energieeffizienz und die Berücksichtigung von anlagenbedingten Wärmebrücken.
Tunable emission from LiBaBO3:Eu3+;Bi3+ phosphor for solid‐state lighting
Authors: Lephoto Mantwa Annah , Tshabalala Kamohelo George , Motloung Selepe Joel , Shaat Samy Khalil Kamel , Ntwaeaborwa Odireleng Martin 
Published: April 2017

AbstractEuropium (Eu3+) and bismuth (Bi3+) co‐activated LiBaBO3 powder phosphors were synthesized by a solid‐state reaction and the structure, particle morphology, optical and photoluminescent properties were investigated. X‐Ray diffraction patterns of the LiBaBO3 phosphors crystallized in a pure monoclinic phase, i.e. there were no secondary phases due to either incidental impurities or undecomposed starting materials. Scanning electron microscopy images showed that the powders were made up of fluffy needle‐like particles that were randomly aligned. The band‐gap of the LiBaBO3 host was estimated to be 3.33 eV from the UV/vis absorption data. Blue emission was observed from the LiBaBO3 host, which is ascribed to self‐activation of the host matrix. In addition, greenish‐blue (493 nm) and red (613 nm) emissions were observed from europium‐doped samples and were attributed to the emissions of Eu2+ and Eu3+, respectively. Furthermore, after codoping with Bi3+, the emission intensity of Eu3+ located at 613 nm was significantly enhanced. From the Commission Internationale de I′Eclairage (CIE) color coordinates, white emission was observed from LiBa1–xBO3:xEu3+ (x = 0.020 and 0.025) phosphor powders with color coordinates of x = 0.368, y = 0.378 and x = 0.376, y = 0.366, respectively.
Geographic and socioeconomic factors affecting delivery of bariatric surgery across high- and low-utilization healthcare systems
Authors: Doumouras A G , Saleh F , Sharma A M , Anvari S , Gmora S , Anvari M , Hong D 
Published: April 2017

Abstract

Background
In countries with universal health coverage, the delivery of care should be driven by need. However, other factors, such as proximity to local facilities or neighbourhood socioeconomic status, may be more important. The objective of this study was to evaluate which geographic and socioeconomic factors affect the delivery of bariatric care in Canada.

Methods
This was a national retrospective cohort study of all adult patients undergoing bariatric surgery between April 2008 and March 2015 in Canada (excluding Quebec). The main outcome was neighbourhood rate of bariatric surgery per 1000 obese individuals (BMI over 30 kg/m2). Geographic cluster analysis and multilevel ordinal logistic regression were used to identify high-use clusters, and to evaluate the effect of geographic and socioeconomic factors on care delivery.

Results
Having a bariatric facility within the same public health unit as the neighbourhood was associated with a 6·6 times higher odds of being in a bariatric high-use cluster (odds ratio (OR) 6·60, 95 per cent c.i. 1·90 to 22·88; P = 0·003). This finding was consistent across provinces after adjusting for utilization rates. Neighbourhoods with higher obesity rates were also more likely to be within high-use clusters (OR per 5 per cent increase: 2·95, 1·54 to 5·66; P = 0·001), whereas neighbourhoods closer to bariatric centres were less likely to be (OR per 50 km: 0·91, 0·82 to 1·00; P = 0·048).

Conclusion
In this study, across provincial healthcare systems with high and low utilization, the delivery of care was driven by the presence of local facilities and neighbourhood obesity rates. Increasing distance to bariatric centres substantially influenced care delivery.
The Impact of Carbon Performance on Climate Change Disclosure
Authors: Giannarakis Grigoris , Zafeiriou Eleni , Sariannidis Nikolaos 
Published: April 2017

AbstractIn the light of the significant role of environmental accounting in sustainable development, this study examines whether climate change disclosure reflects a firm's environmental performance. The novelty of the study stands on the approaches adopted to describe environmental performance. The first approach concerns performance in terms of output, direct and indirect greenhouse gas emissions, while the second one is based on environmental intention of mitigating climate change, including climate change policy and emission reduction initiatives. The Climate Performance Leadership Index is employed as a measure for climate change disclosure level, incorporating initiatives contributing to climate change mitigation, adaptation and transparency. Ordered logit regression is the appropriate methodology for the data employed concerning firms listed on FTSE 350. According to our findings, environmental performance for both adopted approaches entails a positive effect on climate change disclosure, a result that is consistent with voluntary disclosure theory. It is inferred that firms cannot manipulate their information reflecting their actual environmental performance and adopting a forthright and factual attitude towards sustainable development. Finally, findings provide an insight into managers' strategic behavior towards climate change issues. Copyright © 2017 John Wiley & Sons, Ltd and ERP Environment
Fatty acid‐binding protein 5 function in hepatocellular carcinoma through induction of epithelial–mesenchymal transition
Authors: Ohata Takanori , Yokoo Hideki , Kamiyama Toshiya , Fukai Moto , Aiyama Takeshi , Hatanaka Yutaka , Hatanaka Kanako , Wakayama Kenji , Orimo Tatsuya , Kakisaka Tatsuhiko , Kobayashi Nozomi , Matsuno Yoshihiro , Taketomi Akinobu 
Published: April 2017

AbstractHepatocellular carcinoma (HCC) is a highly prevalent cancer with poor prognosis. The correlation between overexpression of fatty acid‐binding protein 5 (FABP5) and malignant potential of tumor growth and metastasis in several cancers has been previously reported. However, the correlation between FABP5 expression and HCC malignant behavior remains unknown. We compared FABP5 expression and patient characteristics in paired HCC and adjacent noncancerous liver tissues from 243 patients who underwent surgical resection of primary HCC. Cell proliferation, invasion, and migration assays were performed in HCC cell lines overexpressing FABP5 or downregulated for FABP5. Tumor growths were monitored in xenograft model, and liver and lung metastasis models were established. In the 243 HCC patients, FABP5‐positive staining (n = 139/243, 57.2%) was associated with poor prognosis and recurrence (P < 0.0001) and showed positive correlation with distant metastasis, tumor size and vascular invasion (P < 0.05). Cell proliferation, invasion, and migration in vitro were enhanced by upregulation of FABP5 and decreased by downregulation of FABP5 in HCC cell lines. Similar results in tumor formation and metastasis were obtained through in vivo analyses. PCR array results revealed upregulation of SNAI1 in FABP5‐overexpressing HepG2 cells. Western blot analysis showed significantly increased expression of E‐cadherin and ZO‐1 and decreased SNAI1 expression and nuclear translocation of β‐catenin by knockdown of FABP5. We revealed a significant role for FABP5 in HCC progression and metastasis through the induction of epithelial‐to‐mesenchymal transition. FABP5 may be a potential novel prognostic biomarker and new therapeutic target for HCC.
Near‐Infrared Electrochemiluminescence from Au Nanoclusters Enhanced by EDTA and Modulated by Ions
Authors: Wang Tanyu , Padelford Jonathan W. , Ma Hedi , Gubitosi‐Raspino Maria F. , Wang Gangli 
Published: April 2017

AbstractNear‐infrared electrochemiluminescence (ECL) from Au‐thiolate nanoclusters is activated by electrode reactions and enhanced by ethylenediamine tetraacetic acid (EDTA). The enhancement effect is higher at pH 7.4 than at more basic or acidic pHs. Magnesium ions are found to modulate the ECL signals through complexation with EDTA and the interaction with the Au nanoclusters. The chemical system and the signal modulation mechanism are believed to be generalizable and advantageous for future sensing and analysis applications with the following merits: 1) Ambient ECL without oxygen removal, 2) high enhancement at physiological pH values, 3) in the near‐IR spectrum window with low interference, 4) rich and tunable redox activity of the Au nanoclusters, and 5) EDTA representing other ionophores or chelaters as versatile coreactants.
High Capacitance and Cycle‐Life Performance of a Binder‐Free Supercapacitor Nanocomposite Electrode by Direct Growth of Manganese Oxide Nanostructures on Carbon Nanotubes
Authors: Ataherian Fatemeh , Wang Youling , Tabet‐Aoul Amel , Mohamedi Mohamed 
Published: April 2017

AbstractMnOx thin films with various oxidation states (MnO, Mn2O3, MnO2 and mixed MnO/Mn3O4) were directly grown onto carbon nanotubes by pulsed laser deposition under vacuum and at different oxygen partial pressures. The microstructural features of the as‐deposited thin films are characterized by scanning electron microscopy and X‐ray photoelectron spectroscopy. The electrochemical behavior of the CNT/MnOx nanocomposites in 1 M Na2SO4 electrolyte is discussed with regards to specific capacitance, and cycle‐life, by means of cyclic voltammetry and electrochemical impedance measurements. First, at slow potential scan rate of 1 mV s−1, MnOx prepared under vacuum and 10 mTorr of O2 delivered specific capacitance as high as 738 and 653 F g−1, respectively. Second, the rate capability of these two nanocomposites over a wide range of scan rates showed that at 500 mV s−1, the former retained 93 % whereas the later displayed an increase of 1.2 % with regards to their respective initial specific capacitance values at 1 mV s−1. They also maintained 90 % and 95 % of their specific capacitance after 10 000 continuous cycles with a 100 mV s−1 scan rate. The binder‐free nature of the CNT/MnOx nanocomposites and remarkable electrochemical properties suggest that these materials could find application as excellent electrodes for supercapacitors.
From NAD+ to Nickel Pincer Complex: A Significant Cofactor Evolution Presented by Lactate Racemase
Authors: Yu Ming‐Jia , Chen Shi‐Lu 
Published: April 2017

AbstractLactate racemase (LarA), a new nickel enzyme discovered recently, catalyzes the racemization between d‐ and l‐lactates with a novel nickel pincer cofactor (Ni‐PTTMN) derived from nicotinic acid. In this study, by using DFT and a 200‐atom active‐site model, LarA is revealed to employ a modified proton‐coupled hydride‐transfer mechanism in which a hydride is transferred to a cofactor pyridine carbon from the substrate α‐carbon along with proton transfer from the substrate hydroxy group to a histidine, and then moved back from the opposite side. Tyr294 and Lys298 provide significant acceleration effects by orientating substrates and stabilizing the negative charge developing at the substrate hydroxy oxygen. The barrier was determined to be 12.0 kcal mol−1, which reveals enhanced racemase activity relative to the LarA reaction using NAD+‐like cofactors. Compared with NAD+, Ni‐PTTMN has a stronger hydride‐addition reactivity in moderate and high environmental polarity and may fit perfectly the moderately polar active site of LarA.
In Situ Formation of Co9S8/N‐C Hollow Nanospheres by Pyrolysis and Sulfurization of ZIF‐67 for High‐Performance Lithium‐Ion Batteries
Authors: Zeng Peiyuan , Li Jianwen , Ye Ming , Zhuo Kaifeng , Fang Zhen 
Published: April 2017

AbstractCo9S8 is considered a promising candidate as the anode material in lithium‐ion batteries (LIBs) because of its remarkable electrical conductivity, high theoretical capacity, and low cost. However, the practical application of Co9S8 is greatly restricted because of its poor cycling stability and rate performance, which result mainly from the large volume expansion and dissolution of the polysulfide intermediates during the charge/discharge process. In this report, Co9S8 embedded in N‐rich carbon hollow spheres are successfully designed and synthesized through an in situ pyrolysis and sulfurization process, employing the well‐known ZIF‐67 as the precursor and ethanethiol as the sulfur source. Co9S8 nanoparticles embedded in the N‐rich hollow carbon shell exhibit excellent lithium storage properties at a high charge/discharge rate. A discharge capacity of 784 mAh g−1 is obtained upon battery testing at a current density of 1 C (544 mA g−1). Even upon cycling at a current density of 4 C, the as‐prepared Co9S8/N‐C can still deliver a discharge capacity of 518 mAh g−1. The excellent battery performance can be attributed to the hollow structure as well as the N‐rich carbon encapsulation. Moreover, this metal–organic framework sulfurization route also shows good generality for the synthesis of other metal sulfide–carbon composites such as ZnS/N‐C and Cu2S/C.
Intramolecular Pancake Bonding in Helical Structures
Authors: Takamuku Shota , Nakano Masayoshi , Kertesz Miklos 
Published: April 2017

AbstractWe show that diradicaloid helical conjugated molecules can display strong through‐space bonding interactions. These interactions are analogous to π‐stacking pancake bonding widely observed for dimers and other aggregates of stable π‐conjugated radicals. We show that these multicenter interactions can have a significant stabilizing effect, but they depend in subtle ways on the specific overlap and relative orientations of the radical carrying subunits. The specific through‐space interactions between the radicaloid units occur at specific size ranges of the helical molecules.
Hydration of Cyclohexene into Cyclohexanol using H‐ZSM5 as Catalyst
Authors: Spod Hendrik , Lucas Martin , Claus Peter 
Published: April 2017

AbstractUm die Wettbewerbsfähigkeit aufrecht zu erhalten gilt es Prozesse stetig zu optimieren. Polyamide gehören zu den verbreitetsten Kunststoffen weltweit und finden vor allem als Synthesefasern ihre Anwendung. Untersucht wird eine alternative Teilreaktion in der Produktion von Adipinsäure, die Flüssigphasenhydratisierung von Cyclohexen zu Cyclohexanol, unter Verwendung des Zeolithen H‐ZSM5 als Katalysator. Mit einem Si/Al‐Verhältnis von 28 weist er im optimalen Reaktionsfenster die beste Performance hinsichtlich der Selektivität und Aktivität zu Cyclohexanol auf, wodurch eine maximale Ausbeute von 13 % erreicht wird.
Prognostic disclosures over time: Parental preferences and physician practices
Authors: Sisk Bryan A. , Kang Tammy I. , Mack Jennifer W. 
Published: April 2017

BACKGROUNDAlthough the majority of parents of children with cancer say they want prognostic information, to the authors’ knowledge little is known regarding how their desire for and experiences with prognosis communication change over time.METHODSA longitudinal, prospective questionnaire‐based cohort study of 156 parents of children with cancer treated at 2 academic pediatric hospitals was performed. Previously published scales were administered at the time of diagnosis and at 4 months and 12 months later.RESULTSThe majority of parents preferred to hear about prognosis in as much detail as possible throughout the first year after a diagnosis of cancer (87%, 85%, and 84%, respectively, at the time of diagnosis, 4 months, and 12 months). Although nearly no parents reported wanting less information (<5% at any time point), a significant percentage reported wanting more information at each time point (25%, 28%, and 24%, respectively, at the time of diagnosis, 4 months, and 12 months). The majority of parents reported having had new prognostic discussions with the physician at each time point (93%, 74%, and 81%, respectively, at the time of diagnosis, 4 months, and 12 months). Irrespective of prognosis, parents were more likely to be satisfied with prognostic communication when physicians provided more extensive disclosure at the time of diagnosis (odds ratio, 1.85 per element of disclosure; 95% confidence interval, 1.25‐2.74 [P = .002]) and when physicians discussed prognosis again before 4 months (odds ratio, 8.71; 95% confidence interval, 2.64‐28.72 [P = .0004]).CONCLUSIONSThe majority of parents wanted detailed, longitudinal prognostic conversations; nearly none of the parents preferred less prognostic information. A return to these conversations over time can help rather than hurt parents. Future studies should assess the ideal contents of these longitudinal discussions, and the communication preferences of pediatric patients. Cancer 2017;123:4031‐8. © 2017 American Cancer Society.