bluuebunny/crossref_metadata_2025_split huggingface dataset:
Electrosynthesis of Bifunctional WS3−x/Reduced Graphene Oxide Hybrid for Hydrogen Evolution Reaction and Oxygen Reduction Reaction Electrocatalysis
Authors: Tan Shu Min , Pumera Martin 
Published: April 2017

AbstractA multitude of research into the application of transition‐metal dichalcogenides as earth‐abundant hydrogen evolution reaction (HER) electrocatalysts has been conducted. However, current synthetic methods generally deploy environmentally harmful chemicals and energy‐consuming reaction conditions, despite the primary intent to attain renewable energy production. Here, the desirable properties of tungsten sulfide and reduced graphene oxide (rGO) have been combined and hybrid materials have been fabricated through simultaneous electrochemical reduction and synthesis, as a versatile and environmentally benign alternative to conventional fabrication techniques. Through concurrent studies of three rGO materials, the precursor of which was graphene oxide (GO), produced by Hummers, Staudenmaier, or Hofmann oxidation methods, the importance of the choice of oxidation method employed prior to the fabrication of the hybrid was shown. In this cardinal study, a mixed WS2/WS3 film‐like material (WS3−x) was synthesized directly onto GO‐modified glassy carbon electrodes by cyclic voltammetry and the resultant hybrid materials (WS3−x/rGO) were thoroughly characterized by SEM, energy‐dispersive X‐ray spectroscopy, X‐ray photoelectron spectroscopy, and Raman spectroscopy. The excellent bifunctional electrocatalytic performances of WS3−x/rGO towards both HER and oxygen reduction reaction stemmed from the coupled impacts of amplified electrical conductivity and surface area of rGO; the presence of metallic species within rGO, resulting from the oxidation process; and the amount of WS3−x successfully electrodeposited in the hybrid. The efficacious fabrication of the WS3−x/rGO composite through electrosynthesis reveals an innovative and eco‐friendly methodology for the development of cost‐effective and highly active bifunctional electrocatalysts for renewable energy generation.
Virtualizing Lifemapper software infrastructure for biodiversity expedition
Authors: Williams Nadya , Stewart Aimee , Papadopoulos Phil 
Published: April 2017

SummaryOne of the activities of the Pacific Rim Applications and Grid Middleware Assembly (PRAGMA) is fostering Virtual Biodiversity Expeditions by bringing domain scientists and cyber infrastructure specialists together as a team. Over the past few years, PRAGMA members have been collaborating on virtualizing the Lifemapper software. Virtualization and cloud computing have introduced great flexibility and efficiency into IT projects. Virtualization refers to the technologies that provide a layer of abstraction between server hardware system and software that runs on it. This abstraction enables a logical view of computing resources and allows multiple servers to run on the same hardware. With this project, we are virtualizing Lifemapper by enabling its installation and configuration on a virtual cluster. Virtualization provides application scalability, maximizes resources utilization, and creates a more efficient, agile, and automated infrastructure. However, there are downsides to the complexity inherent in these environments, including the need for special techniques to deploy cluster hosts, dependence on virtual environments, and challenging application installation, management, and configuration. In this study, we report on progress of the Lifemapper virtualization framework focused on a reproducible and highly configurable infrastructure capable of fast deployment.Lifemapper is a distributed software application developed by the Biodiversity Institute at The University of Kansas. Lifemapper creates and maintains a publicly accessible archive of species distribution maps calculated from public specimen data. Lifemapper software also provides a suite of tools for biodiversity researchers that calculate single and multispecies distribution predictions and macroecological analyses through application programming interfaces. Our goal is to create a viable solution that can be easily adopted and reused by scientists from multiple institutions or projects. This solution (1) allows fast deployment of ready‐made cluster images, (2) reproduces the complete Lifemapper processing pipeline on demand at multiple sites and in different hosting environments, and (3) enables scientists to perform Lifemapper‐facilitated data processing on restricted‐use data, very large datasets, or other unique data.A key contribution of this work is describing the practical experience in taking a complex, clustered, domain‐specific, data analysis, and simulation system and enabling its operation on a variety of system configurations. Uses of this portability range from whole cluster replication to teaching and experimentation on a single laptop. System virtualization is used to practically define and make portable the full application stack, including all of its complex set of supporting software and allows Lifemapper deployment in a variety of environments.
Parallel space saving on multi‐ and many‐core processors
Authors: Cafaro Massimo , Pulimeno Marco , Epicoco Italo , Aloisio Giovanni 
Published: April 2017

SummaryGiven an array
of n elements and a value 2≤k≤n, a frequent item or k‐majority element is an element occurring in
more than n/k times. The k‐majority problem requires finding all of the k‐majority elements. In this paper, we deal with parallel shared‐memory algorithms for frequent items; we present a shared‐memory version of the Space Saving algorithm, and we study its behavior with regard to accuracy and performance on many and multi‐core processors, including the Intel Phi accelerator. We also investigate a hybrid MPI/OpenMP version against a pure MPI‐based version. Through extensive experimental results, we prove that the MPI/OpenMP parallel version of the algorithm significantly enhances the performance of the earlier pure MPI version of the same algorithm. Results also prove that for this algorithm the Intel Phi accelerator does not introduce any improvement with respect to the Xeon octa–core processor.
Characterization of a Poly‐4‐Vinylpyridine‐Supported CuPd Bimetallic Catalyst for Sonogashira Coupling Reactions
Authors: Evangelisti Claudio , Balerna Antonella , Psaro Rinaldo , Fusini Graziano , Carpita Adriano , Benfatto Maurizio 
Published: April 2017

AbstractCuPd bimetallic solvated metal atoms (SMA) synthesized by metal vapor synthesis (MVS) technique and supported on poly‐4‐vinylpyridine (PVPy) resin, showed significantly higher catalytic activity in Sonogashira‐type carbon–carbon coupling reactions than the corresponding monometallic Cu and Pd systems as well as their physical mixture. The analysis of the bimetallic catalyst combining transmission electron microscopy techniques and X‐ray absorption fine structure (XAFS) spectroscopy revealed the presence of small Pd nanoparticles (dm=2.5 nm) while the analysis of the X‐ray absorption data, at the Cu K‐edge suggests the formation of thin and incomplete Cu oxide layers around the Pd‐rich cores.
All‐Silicon Switchable Magnetoelectric Effect through Interlayer Exchange Coupling
Authors: Liu Hang , Sun Jia‐Tao , Fu Hui‐xia , Sun Pei‐jie , Feng Y. P. , Meng Sheng 
Published: April 2017

AbstractThe magnetoelectric (ME) effect originating from the effective coupling between electric field and magnetism is an exciting frontier in nanoscale science such as magnetic tunneling junction (MTJ), ferroelectric/piezoelectric heterojunctions etc. The realization of switchable ME effect under external electric field in
semiconducting materials of single composition is needed especially for all‐silicon spintronics applications because of its natural compatibility with current industry. We employ density functional theory (DFT) to reveal that the pristine Si(111)‐
R30° (Si
hereafter) reconstructed surfaces of thin films with a thickness smaller than eleven bilayers support a sizeable linear ME effect with switchable direction of magnetic moment under external electric field. This is achieved through the interlayer exchange coupling effect in the antiferromagnetic regime, where the spin‐up and spin‐down magnetized density is located on opposite surfaces of Si
thin films. The obtained coefficient for the linear ME effect can be four times larger than that of ferromagnetic Fe films, which fail to have the reversal switching capabilities. The larger ME effect originates from the spin‐dependent screening of the spin‐polarized Dirac fermion. The prediction will promote the realization of well‐controlled and switchable data storage in all‐silicon electronics.
Spectroscopic Characterization of the Reaction Products between the Criegee Intermediate CH2OO and HCl
Authors: Cabezas Carlos , Endo Yasuki 
Published: April 2017

AbstractPulsed Fourier‐transform microwave experiments have been performed to probe the products resulting from the reaction between HCl and the simplest Criegee intermediate, CH2OO, where the reaction is considered to be important in atmospheric chemistry. The experimentally determined rotational parameters interpreted with the help of quantum chemical calculations support the identification of chloro‐methyl hydroperoxide molecule as the primary product of this reaction.
Spin Network Quantum Circuits
Authors: Marzuoli Annalisa , Rasetti Mario 
Published: April 2017

SummaryIn this manuscript, a recent approach to quantum computation promoted by the authors, based on the theory of recoupling of quantum angular momenta instead of the conventional notion of q‐bit (that simply mimicks the Booleam structure of the classical approach to computation), is reviewed and analyzed in its basic elements. In particular, the reach of the new scheme in terms of algorithmic complexity is discussed, focusing the attention on the quantum algorithm for generalized Jones polynomials of knots,
, because the problem of approximating
has been recognized to be a universal problem, namely the hardest problem that a quantum computer can efficiently handle. Copyright © 2017 John Wiley & Sons, Ltd.
Cytological features of warthin‐like papillary thyroid carcinoma: A case report with review of previous cytology cases
Authors: Vallonthaiel Archana George , Agarwal Shipra , Jain Deepali , Yadav Rajni , Damle Nishikant A. 
Published: April 2017

AbstractWarthin‐like papillary thyroid carcinoma (WLPTC) is a rare morphological variant of papillary thyroid carcinoma which mimics various benign and malignant lesions on thyroid aspiration cytology. As correct cytological diagnosis is the cornerstone for appropriate patient management, awareness of the salient cytomorphological characteristics of this tumor is essential. Here, we present cytological features of a case of WLPTC along with discussion of the common differential diagnoses and a brief review of the literature to ascertain the most consistent cytological findings of WLPTC. The present case also harboured BRAFV600E mutation which is the commonest molecular alteration seen in WLPTC.
Anti‐Inflammatory Effects of PEGylated Human Adrenomedullin in a Mouse DSS‐Induced Colitis Model
Authors: Nagata Sayaka , Yamasaki Motoo , Kitamura Kazuo 
Published: April 2017

ABSTRACT

Preclinical Research

Human adrenomedullin (hAM), a hypotensive peptide, also has anti‐inflammatory effects. hAM can reduce the severity of the dextran sulphate sodium (DSS)‐ and 2,4,6‐trinitrobenzene sulfonic acid (TNBS)‐induced colitis in animal models. Furthermore, in a clinical study, hAM treatment reduced the Disease Activity Index in ulcerative colitis. However, these therapeutic effects required continuous administration of hAM as the half‐life of native hAM is quite short in blood. To resolve this problem, hAM N‐terminal was conjugated with two kinds of polyethylene glycol (PEG); 5 kDa PEG or 60 kDa PEG (5 kDa PEG‐hAM and 60 kDa PEG‐hAM respectively). In a previous study, 5 kDa PEG‐hAM stimulated cAMP production and prolonged the plasma half‐life compared with native hAM. Herein we examine the effect of PEG‐hAM in the DSS colitis model. Treatment with both PEG‐hAM preparations reduced the total inflammation score. In addition, the plasma half‐life of 60 kDa PEG‐hAM was much longer than 5 kDa PEG‐hAM. In summary, a single subcutaneous administration of 60 kDa PEG‐hAM reduced the total inflammation score in mice with DSS‐induced colitis. Therefore, these results suggest that 60 kDa PEG‐hAM is a possible therapeutic agent for the treatment of inflammatory bowel disease. Drug Dev Res 78 : 129‐134, 2017. © 2017 Wiley Periodicals, Inc.
Validation of the Behavioural Observation Scale 3 for the evaluation of pain in adults
Authors: Frasca M. , Burucoa B. , Domecq S. , Robinson N. , Dousset V. , Cadenne M. , Sztark F. , Floccia M. 
Published: April 2017

AbstractBackgroundMany behavioural scales are available to assess pain but none are suitable for a quick evaluation of non‐sedated and non‐geriatric adults. The Behavioural Observation Scale 3 (BOS‐3) is short, composed of five items. This study examined its feasibility and diagnostic performances.MethodsAdult patients were included from medical and surgical departments of the University Hospital of Bordeaux. In a cross‐sectional study, BOS‐3 was compared to Numerical Rate Scale (NRS) with communicating patients (CP) and Behavioural Scale for the Elderly Person (ECPA2) with non‐communicating patients (NCP). Each time, BOS‐3 and reference scale were performed by an internal caregiver and an external expert.ResultsWe included 447 patients: 395 communicating and 52 non‐communicating. All patients were assessed by the BOS‐3 and the reference test. All BOS‐3 were carried out in less than one minute with only four missing data. Its reproducibility (ICC = 0.77 [95% CI 0.73–0.81] with CP and 0.93 [95% CI 0.89–0.97] with NCP) and its internal consistency (Cronbach α = 0.67 with CP and 0.70 with NCP) were good. In non‐communicating patients, ROC analysis set a threshold at 3 on 10. Sensitivity was 0.87 [95% CI 0.77–0.96], specificity 0.97 [95% CI 0.93–1.00], positive predictive value 0.93 [95% CI 0.86–0.99] and negative predictive value 0.95 [95% CI 0.89–1.00]. In communicating patients, sensitivity decreased to 0.34 [95% CI 0.28–0.38] but specificity reached 0.96 [95% CI 0.94–0.98] and positive predictive value 0.75 [95% CI 0.70–0.79].ConclusionsBOS‐3 had good metrological properties in non‐communicating adults. With communicating patients, a positive BOS‐3 could be an additional tool to confirm pain, when underestimated on the NRS.SignificanceThis study describes the diagnostic performances of a behavioral pain assessment scale designed for non‐geriatric and non‐sedated adults. The results show its validity in non‐communicating patients and suggest its usefulness as an ancillary tool in communicating patients in whom simple numerical scales are often insufficient.
Highly Sensitive Nonenzymatic Glucose Sensor Based on 3D Ultrathin NiFe Layered Double Hydroxide Nanosheets
Authors: Lu Yi , Jiang Bin , Fang Liang , Fan Shuyao , Wu Fang , Hu Baoshan , Meng FanMing 
Published: April 2017

AbstractAs a promising electrode material, Ni‐based nanomaterials exhibit a remarkable electrochemical catalytic activity for nonenzymatic glucose sensors. In this paper, Nickel–Iron layered double hydroxide (NiFe‐LDH) film electrode with ultrathin nanosheets and porous nanostructures was synthesized directly on Ni foam (NF) by a one‐step hydrothermal method. The as‐obtained NiFe‐LDH electrode was adopted for glucose detection without further treatment. As an integrated binder‐free electrode for glucose sensor, the NiFe‐LDH/NF hybrid exhibits a superior sensitivity of 3680.2 μA mM−1 cm−2 with a low limit of detection (0.59 μM, S/N=3) as well as fast response time (<1 s). An excellent selectivity from potential interference species such as ascorbic acid, uric acid and Cl− ions and acceptable stability were also achieved. The outstanding performance can be ascribed to the abundant electrochemistry active sites, facilitative diffusion of the electrolyte, high electron transfer rate and reliable stability architecture. Therefore, the NiFe‐LDH nanosheets demonstrate potential application in non‐enzymatic sensory of glucose.
Imidazolium Based Surface Active Ionic Liquids as Novel Micellar Media for Simultaneous and Sensitive Electrochemical Detection of Dopamine and Ascorbic Acid
Authors: Rather Mudasir Ahmad , Bhat Sajad Ahmad , Pandit Sarwar Ahmad , Rather Ghulam Mohammad , Khan Khaliquz Zaman , Bhat Mohsin Ahmad 
Published: April 2017

AbstractSurface active ionic liquid (SAIL) micelle assisted, simultaneous and highly sensitive electrochemical sensing of dopamine (DA) and ascorbic acid (AA) is presented. Results presented herein establish that SAILs viz.1‐dodecyl‐3‐methyl imidazolium chloride ([DDMIM][Cl]), 1‐octyl‐3‐methyl imidazolium chloride ([OMIM][Cl]) and 1‐butyl‐3‐methyl imidazolium chloride ([BMIM][Cl]) exhibit a probe and SAIL nature/concentration specific impact on the redox behaviour of hydroquinone (H2Q), dopamine (DA) and ascorbic acid (AA). To our observations, the electrochemical behaviour of DA and AA is affected oppositely by SAILs with the apparent effects being more appreciable in presence of [DDMIM][Cl]. In the presence of [DDMIM][Cl] micelles, the electro‐oxidation of AA was observed to occur at potentials about 350 mV less positive than required for electrooxidation of DA, an important advantage that minimises the interference of former in sensing of the later. The peak to peak potential separation of 350 mV observed in presence of [DDMIM][Cl] micelles is the largest to be reported so far. The DPV signal for DA and AA displayed a linear response in the concentration range of 6.6 to 99.9 μM and 6.6 to 131.5 μM respectively. Very low detection limits of 0.0161 μM for DA in presence of 39.8 μM AA and 0.0227 μM for AA in presence of 39.8 μM DA were estimated in micellar phase of [DDMIM][Cl].
Application of a Nanosensor Based on MWCNT‐Sodium Dodecyl Sulphate Modified Electrode for the Analysis of a Novel Drug, Alpha‐Hydrazinonitroalkene in Human Blood Serum
Authors: D'Souza Ozma J , Mascarenhas Ronald J , Satpati Ashis K , Mane Vaijinath , Mekhalif Zineb 
Published: April 2017

AbstractThe sensitivity enhancing properties of sodium dodecyl sulphate (SDS) and multi‐walled carbon nanotubes (MWCNTs) were associated to construct a nanosensor based on carbon paste electrode (CPE) by adopting drop cast method. The drop cast method makes use of minimum modifier and the entire modified surface of the sensor is available for the analyte. Surface characterization of the electrodes was carried out using FE‐SEM and EDX. EIS was used for the electrochemical characterization. We report for the first time the electrochemical analysis based on the oxidation of the ‐OH group of a novel drug, alpha‐hydrazinonitroalkene (I) which was found to have antibacterial and antimicrobial properties. The electron transfer kinetic parameters such as the charge transfer coefficient α and heterogeneous rate constant k′ were calculated and they have been found to be 0.64 and 9.62 × 10−2 cm s−1 respectively. The linear response ranges for (I) obtained at this sensor are 1.0 × 10−7 M − 7.0 × 10−7 M and 1.0 × 10−6 M – 4.5 × 10−5 M with a detection limit of (7.03 ± 0.41) × 10−8 M (S/N=3). The interference study suggested that the sensor was free from 1000‐fold excess of UA in the determination of (I). It was important to note that the sensor completely eliminated Ascorbic acid (AA) signal which offered a significant analytical advantage for the determination of the drug at this sensor. The practical usefulness of the modified sensor was demonstrated by the analysis of (I) in blood serum.
Simple and Inexpensive Electrochemical Platform Based on Novel Homemade Carbon Ink and its Analytical Application for Determination of Nitrite
Authors: Petroni Jacqueline Marques , Lucca Bruno Gabriel , Ferreira Valdir Souza 
Published: April 2017

AbstractIn this work we present the development of a simple handmade approach for the easy fabrication of three‐electrode electrochemical devices based on newly in‐house developed carbon ink composed of graphite powder and polystyrene. Different proportions of graphite/polystyrene were investigated for the optimization of the ink. The counter and reference electrodes were produced using commercial carbon ink and silver glue. Scanning electron microscopy, electrochemical impedance spectroscopy and cyclic voltammetry were used to investigate the morphology and the electrochemical properties of the sensor. The results showed that the electroactive area of the optimized working electrode was ca. 2.35 times larger than its geometric area. The RSD values obtained for repeatability and reproducibility were 0.20% and 2.78%, respectively, which suggest no significant variation on the electrodes fabricated. The analytical feasibility of the electrode was tested through its application for the determination of nitrite in drinking water. The quantifications were successfully performed at levels below the maximum contaminant level established for nitrite. A limit of detection of 1.42 × 10−6 mol L−1 and recoveries of ca. 103 % were achieved. The results were validated using ion‐chromatography technique with good agreement. The performance of the unmodified sensor proposed here on nitrite determination was better than some recently reported modified electrodes obtained through complex procedures.
Combination of odour‐stimulation tools and surface response methodology for odour recombination studies
Authors: Thomsen Maiken , Dosne Thibaut , Beno Noëlle , Chabanet Claire , Guichard Elisabeth , Thomas‐Danguin Thierry 
Published: April 2017

AbstractThe objective of this study was to evaluate the relative impact of 12 odour‐active compounds on the odours of three different non‐processed semi‐hard kinds of cheese using a combination of different odour stimulation tools. Based on a previous study, eight odorants were identified as contributors to the basic odour of the cheeses, and four additional odorants were identified as contributors to the specificity of each cheese. The eight basic odorants were dispatched into four vessels of an olfactometer, which delivered mixtures following a Box‐Behnken design. Each odour mixture was compared with each real cheese odour based on a direct similarity rating. An optimal basic composition of the four olfactometer vessels for each of the three cheeses was obtained. One vessel that contained a mixture of four odorants significantly impacted the odour similarity scores; thus, the four odorants (3‐methyl butane‐1‐ol, butanoic acid, 3‐methylbutanoic acid and dimethyl trisulphide) were individually tested along with four additional odorants (2,3‐dimethyl pyrazine, benzaldehyde, methyl 2‐methyl‐3‐furyl disulphide and gamma heptalactone) in a second experiment using the olfactoscan technique. A paired comparison between real cheese odours and the odour mixtures delivered by the olfactometer combined with odorants eluted from a gas‐chromatograph indicated that dimethyl trisulphide primarily contributed to one of the cheese odours and butanoic acid contributed to another cheese odour. Gamma heptalactone had a positive impact, whereas benzaldehyde and 1‐octen‐3‐one had a negative impact, on the similarity between the recombined odour and the odour of the third cheese. This original approach is a promising tool for the reformulation of food aromas.
Improvement of the Liu‐type Shiller estimator for distributed lag models
Authors: Özbay Nimet , Kaçıranlar Selahattin 
Published: April 2017

AbstractThe problem of multicollinearity produces undesirable effects on ordinary least squares (OLS), Almon and Shiller estimators for distributed lag models. Therefore, we introduce a Liu‐type Shiller estimator to deal with multicollinearity for distributed lag models. Moreover, we theoretically compare the predictive performance of the Liu‐type Shiller estimator with OLS and the Shiller estimators by the prediction mean square error criterion under the target function. Furthermore, an extensive Monte Carlo simulation study is carried out to evaluate the predictive performance of the Liu‐type Shiller estimator.