bluuebunny/crossref_metadata_2025_split huggingface dataset:
Esterification of Kraft lignin as a method to improve structural and mechanical properties of lignin‐polyethylene blends
Authors: Dehne Laura , Vila Carlos , Saake Bodo , Schwarz Katrin U. 
Published: November 2016

ABSTRACTLignin is a promising candidate for blends with thermoplastic polymers. Still, this endeavour is a challenge due to poor compatibility between both components. In this article, the effect of lignin esterification on the improvement of the compatibility between hardwood Kraft lignin and high‐density polyethylene (PE‐HD) is investigated. For this purpose, lignin was esterified with acetic, propionic, and butyric anhydride; its amount in the blends varied from 10 to 40%. Light microscopic images of blends show a reduction in particle size and a more homogeneous distribution with increasing length of the ester carbon chains (C2 to C4). Modification of lignin enhances the moduli and strength characteristics of the blends. Butyrated lignin performs best, as tensile strength of blends can be retained near that of pure PE‐HD with up to 40% lignin content. An additional investigation of unmodified lignin with reduced particle size confirms that modification is the decisive factor to enhance blend properties; a sole reduction of particle size is insufficient. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44582.
Biobased isosorbide methacrylate monomer as an alternative to bisphenol A glycerolate dimethacrylate for dental restorative applications
Authors: Berlanga Duarte María Lydia , Reyna Medina Luis Alberto , Reyes Patricia Torres , González Pérez Sergio Emmanuel , Herrera González Ana María 
Published: November 2016

ABSTRACTIn this study, a new biobased isosorbide urethane methacrylic monomer [isosorbide‐derived urethane dimethacrylate (Is‐UDMA)] was evaluated as a replacement for currently used bisphenol A glycerolate dimethacrylate (Bis‐GMA) based dental restorative materials. Dental composites were prepared at different Is‐UDMA and Bis‐GMA concentrations. For these composites, the photocuring kinetics, volumetric shrinkage, viscoelastic properties, water sorption, and solubility were evaluated. The photocuring kinetics, followed by real‐time IR spectroscopy, showed higher double‐bond conversion (DC) values for the formulations containing the Is‐UDMA monomer; the highest DC (82%) was achieved by the formulation prepared with only the Is‐UDMA monomer. The volumetric shrinkage was reduced to 23.7% as compared with the dental resin formulated with Bis‐GMA. The viscoelastic properties of the formulations containing both Is‐UDMA and Bis‐GMA monomers in a 50:50 composition were superior to the rest of the tested formulations, including those prepared with pure polymers. This behavior was explained in terms of a compromise between crosslinking and rigidity (or flexibility) of the resulting polymer network. A preliminary test on microleakage in a dental enamel demonstrated that the new Is‐UDMA monomer is a potential replacement for the Bis‐GMA monomer in dental restorative materials. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44591.
A constructive approach to the quadrics of revolution using 3D dynamic geometry systems with algebraic capabilities
Authors: Roanes‐Lozano Eugenio 
Published: November 2016

ABSTRACTConics and quadrics are classic topics at Engineering Schools. Conics are usually introduced from constructive properties and their equations and classification are presented later. Meanwhile, quadrics are introduced directly from their equations. The availability of 3D dynamic geometry systems allows introducing the quadrics of revolution (degenerate and non‐degenerate) in a constructive way too. How the approach can be used to obtain the equations of one parameter families of quadrics will be also shown. © 2016 Wiley Periodicals, Inc. Comput Appl Eng Educ 25:26–38, 2017; View this article online at wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.21775
Effective reuse and sharing of best teaching practices
Authors: Al‐Rasheed Amal , Berri Jawad 
Published: November 2016

ABSTRACTThe widespread use of computer technologies in education has reshaped the roles of instructors, who are encouraged to innovate interactive forms of technology‐supported instruction that promote participation and collaboration. This in turn engenders new experiences of teaching that need to be gathered and capitalized as teaching assets to be shared among communities of instructors. Among these experiences, best teaching practices (BTPs) are instructional practices accumulated in teaching that have been proven to work well, give good results, and can therefore be recommended as a model. Identifying and sharing best practices means duplicating successes which help instructors learn from each other and deliver better quality teaching. This paper presents a knowledge management framework for acquiring, coding, sharing, and reusing BTPs. To encourage instructors’ participation, the framework is based on peer scoring of BTPs, which stimulates contribution and interaction. The framework has been implemented as a knowledge portal that allows instructors to create, store, search, and share BTPs and to receive feedback and comments from other users, providing many useful functionalities and services to users as individuals and communities. The paper presents also a real‐life case study, lessons learned from using the system within a community of instructors, and a system evaluation of the effectiveness of reusing BTPs using the reuse effort and impact metrics. © 2016 Wiley Periodicals, Inc. Comput Appl Eng Educ 25:163–178, 2017; View this article online at wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.21776
Surface‐Atom Dependence of ZnO‐Supported Ag@Pd Core@Shell Nanocatalysts in CO2 Hydrogenation to CH3OH
Authors: Li Xinliang , Zeng Ziyan , Hu Bing , Qian Lihua , Hong Xinlin 
Published: November 2016

AbstractCarbon dioxide is the primary greenhouse gas and its emission has caused serious problems with respect to climate change. Unremitting efforts are being made to recycle of CO2 through its hydrogenation to liquid fuels such as CH3OH. Pd–ZnO based nanoarchitectures are one type of ideal catalysts for CO2 hydrogenation. However, owing to the lack of palladium reserves, enhancing the catalytic efficiency and selectivity of the palladium nanostructures so that low loadings can be used remains a scientific challenge. Three types of ZnO‐supported Ag@Pd core@shell, AgPd alloy, and pure Pd nanocatalysts were controllably and successfully synthesized. Benefiting from the electron‐rich Pd shell and the formation of the PdZn phase in the Ag@Pd–ZnO core@shell structure, we achieved a catalytic efficiency per gram of palladium that is 3.32 times higher than the Pd–ZnO nanostructure. In particular, electron transfer at the interfaces and the adsorption of the intermediate species significantly enhance catalytic selectivity of the Ag@Pd–ZnO core@shell structure. This work proposes a novel strategy to enhance the methanol yield during CO2 hydrogenation by the sophisticated tailoring of the surface composition in noble‐metal catalysts.
Prediction of H2S Solubility in Liquid Electrolytes by Multilayer Perceptron and Radial Basis Function Neural Networks
Authors: Barati‐Harooni Ali , Nasery Saeid , Tatar Afshin , Najafi‐Marghmaleki Adel , Isafiade Adeniyi Jide , Bahadori Alireza 
Published: November 2016

AbstractIndustrial natural gas treating plants commonly employ amine‐based treatments for hydrogen sulfide elimination from crude oil and gas. Some deficiencies boost the motivation to find an appropriate alternative. Due to their advantageous properties, liquid electrolytes are considered as possible substitutes for classical alkanolamine solvents in such processes. The solubility of gases in ionic solutions at different temperatures and pressures is a crucial factor in the examination of ionic liquids as a potential alternative. Two intelligent methods, namely, simple multilayer perceptron (MLP) and radial basis function neural networks, are proposed to accurately predict the solubility of H2S in various ionic liquids. The predicted values agree well with the experimental data. A comparison to other intelligent models, which were recently suggested, reveals the superiority of the proposed simple MLP model.
High‐Throughput Electrochemical Screening Assay for Free and Immobilized Oxidases: Electrochemiluminescence and Intermittent Pulse Amperometry
Authors: Aymard Chloé , Bonaventura Celia , Henkens Robert , Mousty Christine , Hecquet Laurence , Charmantray Franck , Blum Loïc J. , Doumèche Bastien 
Published: November 2016

AbstractAnalysis of a large number of samples by electrochemical methods for rapid optimization of amperometric biosensors or screening applications is still a challenge. To overcome this limitation, a system with 96 screen‐printed electrodes was developed to assay H2O2 produced by free and immobilized galactose oxidase as a model for oxidases. Detection was based on two electrochemical methods: intermittent pulse amperometry (IPA) and electrochemiluminescence (ECL). This 96‐well electrochemical device allowed rapid optimization of the parameters in half a day, regardless of the method used (i.e., IPA or ECL). We demonstrate that ECL is more sensitive for the detection of H2O2 (limit of detection of 1 μm for ECL vs. 10 μm for IPA) with lower interelectrode variability (1 vs. 19 %). Rapid determination of sensitivities, linear ranges, and limits of detection of galactose oxidase substrates (e.g., dihydroxyacetone and l‐erythrulose) by using free or immobilized enzyme was conducted in only 50 min by the mean of 5 different sets of 96 screen‐printed electrodes.
Direct Synthesis of Two Inorganic Catalysts on Carbon Fibres for the Electrocatalytic Oxidation of Water
Authors: Svengren Henrik , Jansson Kjell , Grins Jekabs , Wan Wei , Torapava Natallia , Johnsson Mats 
Published: November 2016

AbstractTwo electrodes for anodic water oxidation made by direct synthesis of inorganic catalysts onto conductive carbon fibre sheets are evaluated. As catalysts two Co‐ and Sb‐containing phases were tested, that is, Co3Sb4O6F6 and the new compound CoSbO4. The compounds express large differences in their morphology: CoSbO4 grows as thin needles whereas Co3Sb4O6F6 grows as larger facetted crystals. Despite the smaller surface area the latter compound shows a better catalytic performance. When the compound Co3Sb4O6F6 was used it gave a low increase of +0.028 mV h−1 at an overpotential of η=472 mV after 10 h and a stability of +0.48 mV h−1 at an overpotential of η=488 mV after 60 h. The leakages of Co and Sb were negligible and only <0.001 at % Co and approximately 0.02 at % Sb were detected in the electrolyte.
Light‐Induced Porphyrin‐Based Spectroscopic Ruler for Nanometer Distance Measurements
Authors: Di Valentin Marilena , Albertini Marco , Dal Farra Maria Giulia , Zurlo Enrico , Orian Laura , Polimeno Antonino , Gobbo Marina , Carbonera Donatella 
Published: November 2016

AbstractWe present a novel pulsed electron paramagnetic resonance (EPR) spectroscopic ruler to test the performance of a recently developed spin‐labeling method based on the photoexcited triplet state (S=1). Four‐pulse electron double resonance (PELDOR) experiments are carried out on a series of helical peptides, labeled at the N‐terminal end with the porphyrin moiety, which can be excited to the triplet state, and with the nitroxide at various sequence positions, spanning distances in the range 1.8–8 nm. The PELDOR traces provide accurate distance measurements for all the ruler series, showing deep envelope modulations at frequencies varying in a progressive way according to the increasing distance between the spin labels. The upper limit is evaluated and found to be around 8 nm. The PELDOR‐derived distances are in excellent agreement with theoretical predictions. We demonstrate that high sensitivity is acquired using the triplet state as a spin label by comparison with Cu(II)–porphyrin analogues. The new labeling approach has a high potential for measuring nanometer distances in more complex biological systems due to the properties of the porphyrin triplet state.
Luminescent Gold(III) Thiolates: Supramolecular Interactions Trigger and Control Switchable Photoemissions from Bimolecular Excited States
Authors: Currie Lucy , Fernandez‐Cestau Julio , Rocchigiani Luca , Bertrand Benoît , Lancaster Simon J. , Hughes David L. , Duckworth Helen , Jones Saul T. E. , Credgington Dan , Penfold Thomas J. , Bochmann Manfred 
Published: November 2016

AbstractA new family of cyclometallated gold(III) thiolato complexes based on pyrazine‐centred pincer ligands has been prepared, (C^Npz^C)AuSR, where C^Npz^C=2,6‐bis(4‐ButC6H4)pyrazine dianion and R=Ph (1), C6H4tBu‐4 (2), 2‐pyridyl (3), 1‐naphthyl (1‐Np, 4), 2‐Np (5), quinolinyl (Quin, 6), 4‐methylcoumarinyl (Coum, 7) and 1‐adamantyl (8). The complexes were isolated as yellow to red solids in high yields using mild synthetic conditions. The single‐crystal X‐ray structures revealed that the colour of the deep‐red solids is associated with the formation of a particular type of short (3.2–3.3 Å) intermolecular pyrazine⋅⋅⋅pyrazine π‐interactions. In some cases, yellow and red crystal polymorphs were formed; only the latter were emissive at room temperature. Combined NMR and UV/Vis techniques showed that the supramolecular π‐stacking interactions persist in solution and give rise to intense deep‐red photoluminescence. Monomeric molecules show vibronically structured green emissions at low temperature, assigned to ligand‐based 3IL(C^N^C) triplet emissions. By contrast, the unstructured red emissions correlate mainly with a 3LLCT(SR→{(C^Npz^C)2}) charge transfer transition from the thiolate ligand to the π⋅⋅⋅π dimerized pyrazine. Unusually, the π‐interactions can be influenced by sample treatment in solution, such that the emissions can switch reversibly from red to green. To our knowledge this is the first report of aggregation‐enhanced emission in gold(III) chemistry.
Mechanism of the Copper/TEMPO‐Catalyzed Aerobic Oxidation of Alcohols
Authors: Iron Mark A. , Szpilman Alex M. 
Published: November 2016

AbstractIdentifying the mechanism of a catalytic reaction is paramount for designing new and improved catalysts. Several alternative catalytic cycles for the copper/2,2,6,6‐tetramethylpiperidine‐N‐oxyl (TEMPO)‐catalyzed aerobic oxidation of alcohols to the corresponding aldehydes or ketones were examined using DFT at the SMD(CH3CN)‐RIJCOSX‐DSD‐PBEB95/def2‐TZVP//DF‐PBED3BJ/def2‐SVP level of theory. A catalytic cycle in which TEMPO remains coordinated to copper throughout was identified as the most likely mechanism. There are three components to the catalytic cycle: 1) hydrogen transfer from the alkoxyl ligand to coordinated TEMPO, 2) oxygen activation with formation of a peroxo complex, and 3) alcohol activation with transfer of the OH proton to the peroxo ligand. The oxidation takes place via a six‐membered intramolecular hydrogen‐transfer transition state. Importantly, this is not the rate‐determining step, which instead involves oxygen activation and/or the initial alcohol activation.
Ferrocyanide‐Mediated Photoreduction of Ferricytochrome C Utilized to Selectively Probe Non‐native Conformations Induced by Binding to Cardiolipin‐Containing Liposomes
Authors: Malyshka Dmitry , Schweitzer‐Stenner Reinhard 
Published: November 2016

AbstractFerricytochrome c binding to cardiolipin‐containing liposomes produces a heterogeneous distribution of conformations comprising native‐like and non‐native misfolded proteins. We utilized the photoreduction of native ferricytochrome c in the presence of potassium ferrocyanide and resonance Raman spectroscopy to probe the population of native and misfolded cytochrome c on liposomes with 20 % tetraoleylcardiolipin (TOCL)/80 % dioleylphosphocholine (DOPC) and with 100 % TOCL as a function of TOCL concentration. Our data provided strong support for an earlier model, which predicts that the equilibrium between native and non‐native conformations is shifted to the latter with decreasing protein occupation of liposomes.
Catalytic Transfer Hydrogenation of Furfural to 2‐Methylfuran and 2‐Methyltetrahydrofuran over Bimetallic Copper–Palladium Catalysts
Authors: Chang Xin , Liu An‐Feng , Cai Bo , Luo Jin‐Yue , Pan Hui , Huang Yao‐Bing 
Published: November 2016

AbstractThe catalytic transfer hydrogenation of furfural to the fuel additives 2‐methylfuran (2‐MF) and 2‐methyltetrahydrofuran (2‐MTHF) was investigated over various bimetallic catalysts in the presence of the hydrogen donor 2‐propanol. Of all the as‐prepared catalysts, bimetallic Cu‐Pd catalysts showed the highest catalytic activities towards the formation of 2‐MF and 2‐MTHF with a total yield of up to 83.9 % yield at 220 °C in 4 h. By modifying the Pd ratios in the Cu‐Pd catalyst, 2‐MF or 2‐MTHF could be obtained selectively as the prevailing product. The other reaction conditions also had a great influence on the product distribution. Mechanistic studies by reaction monitoring and intermediate conversion revealed that the reaction proceeded mainly through the hydrogenation of furfural to furfuryl alcohol, which was followed by deoxygenation to 2‐MF in parallel to deoxygenation/ring hydrogenation to 2‐MTHF. Finally, the catalyst showed a high reactivity and stability in five catalyst recycling runs, which represents a significant step forward toward the catalytic transfer hydrogenation of furfural.
An altruism‐based trust‐dependent message forwarding protocol for opportunistic networks
Authors: Kumar Arun , Dhurandher Sanjay K. , Woungang Isaac , Obaidat Mohammad S. , Gupta Sahil , Rodrigues Joel J. P. C. 
Published: November 2016

SummaryIn opportunistic networks (OppNets), which are characterized by intermittent end‐to‐end connections, the messages are routed in a store‐carry‐and‐forward fashion using the locally inferred knowledge about the behavior of nodes. As such, most OppNets routing protocols use social metrics that are dependent on the nodes' past information. But the participation of nodes in the message forwarding process is not guaranteed without incentivizing them because most nodes are reluctant in sharing their private resources for public uses. In this paper, some socially derived psychological attributes of a node are introduced to ensure their trustworthy participation in the message forwarding process, leading to the design of an altruism‐dependent trust‐based data forwarding mechanism for OppNets (called ATDTN). In this protocol, each node is associated with a dynamically changing altruism value representing its trust in the network, which is used to determine its status with regard to its participation in message forwarding. Through trace‐driven simulations using the ONE simulator, it is shown that ATDTN outperforms IronMan and SimBet protocols for routing in OppNets (respectively, 18% and 48% improvement), in terms of delivery ratio, end‐to‐end delay, overhead count, and average number of hops, under varying buffer size and time‐to‐live.
Increased complementarity in water‐limited environments in Scots pine and European beech mixtures under climate change
Authors: González de Andrés Ester , Seely Brad , Blanco Juan A. , Imbert J. Bosco , Lo Yueh‐Hsin , Castillo Federico J. 
Published: November 2016

AbstractManagement of mixedwoods is advocated as an effective adaptation strategy to increase ecosystem resiliency in the context of climate change. Although mixedwoods have been shown to have greater resource use efficiency relative to pure stands, considerable uncertainty remains with respect to the underlying ecological processes. We explored species interactions in Scots pine/European beech mixedwoods with the process‐based model FORECAST Climate. The model was calibrated for two contrasting forests in the southwestern Pyrenees (northern Spain): a wet Mediterranean site at 625 m.a.s.l. and a subalpine site at 1335 m.a.s.l. Predicted mixedwood yield was higher than that for beech stands but lower than pine stands. When simulating climate change, mixedwood yield was reduced at the Mediterranean site (−33%) but increased at the subalpine site (+11%). Interaction effects were enhanced as stands developed. Complementarity dominated the Mediterranean stand but neutral or net competition dominated the subalpine stand, which had higher stand density and water availability. Reduced water demand and consumption, increased canopy interception, and improved water‐use efficiency in mixtures compared to beech stands, suggest a release of beech intraspecific competition. Beech also facilitated pine growth through better litter quality, nonsymbiotic nitrogen fixation, and above‐ and belowground stratification, leading to higher foliar nitrogen content and deeper canopies in pines. In conclusion, mixtures may improve water availability and use efficiency for beech and light interception for pine, the main limiting factors for each species, respectively. Encouraging pine–beech mixtures could be an effective adaptation to climate change in drought‐prone sites in the Mediterranean region.
BSA‐templated Pb Nanocluster as a Biocompatible Signaling Probe for Electrochemical EGFR Immunosensing
Authors: Mousavi Mir F. , Mirsian Samaneh , Noori Abolhassan , Ilkhani Hoda , Sarparast Morteza , Moradi Nasrin , Bathaie S. Zahra , Mehrgardi Masoud A. 
Published: November 2016

AbstractWe report here a new electrochemical probe for the development of a sensitive, and selective sandwich‐type electrochemical immunosensor for the detection of epidermal growth factor receptor (EGFR). The probe is a newly synthesized bovine serum albumin (BSA)‐templated Pb nanocluster (PbNC@BSA). For fabrication of the immunosensor, we employed streptavidin‐coated magnetic beads (MB) as a platform for immobilization of the biotinylated primary antibody (Ab1), and utilized the PbNC@BSA conjugated to secondary antibody (Ab2) as a signaling probe. After sandwiching the target protein between Ab1 and Ab2, we dissolved PbNC@BSA into an acid, and recorded square wave anodic stripping voltammetric (SWASV) signal of the Pb ions as an analytical signal for quantification of the EGFR. The immunosensor responded linearly towards EGFR within the range of 0.4 ng/mL to 35 ng/mL, with a detection limit of 8 pg/mL. The immunosensor displayed good sensitivity, selectivity, stability, and reproducibility, and proved suitable for direct measurement of EGFR in human serum samples. Moreover, we used the as‐synthesized PbNC@BSA as a fluorescence label for in vitro cell viability analysis as well as bioimaging of cancerous HeLa and non‐cancerous HUVEC cells. PbNC@BSA exhibited low cytotoxicity and high biocompatibility in living cells, and was a suitable fluorescent probe for live cell imaging, with potential therapeutic applications.
Health Disparities by Income in Spain Before and After the Economic Crisis
Authors: Coveney Max , García‐Gómez Pilar , Van Doorslaer Eddy , Van Ourti Tom 
Published: November 2016

AbstractLittle is known about how health disparities by income change during times of economic crisis. We apply a decomposition method to unravel the contributions of income growth, income inequality and differential income mobility across socio‐demographic groups to changes in health disparities by income in Spain using longitudinal data from the Survey of Income and Living Conditions for the period 2004–2012. We find a modest rise in health inequality by income in Spain in the 5 years of economic growth prior to the start of the crisis in 2008, but a sharp fall after 2008. The drop mainly derives from the fact that loss of employment and earnings has disproportionately affected the incomes of the younger and healthier groups rather than the (mainly stable pension) incomes of the groups over 65 years. This suggests that unequal distribution of income protection by age may reduce health inequality in the short run after an economic recession. Copyright © 2016 John Wiley & Sons, Ltd.