bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Sol–Gel Ruthenium–Niobium–Silicon Mixed‐Oxide Bifunctional Catalyst for the Hydrogenation of Levulinic Acid in the Aqueous Phase
Authors: Minieri Luciana , Esposito Serena , Russo Vincenzo , Bonelli Barbara , Di Serio Martino , Silvestri Brigida , Vergara Alessandro , Aronne Antonio 
Published: January 2017

AbstractA mixed‐oxide nanomaterial with composition (RuO2)0.038(Nb2O5)0.024(SiO2)0.938 was prepared by a one‐pot sol–gel route. The synthesis was entirely performed at room temperature, by using easy‐to‐handle precursors and avoiding the employment of any toxic and/or polluting reactant. One of the samples was synthesised in the presence of a non‐ionic surfactant acting as both pore directing agent and metal complexing agent, obtaining a high‐specific‐surface‐area material characterized by a very good dispersion of the metallic species. In both cases, nanomaterials characterized by a complete reducibility of Ru species were obtained. The reduced nanomaterials acted as effective bifunctional catalysts in the hydrogenation of levulinic acid (LA) to γ‐valerolactone, performed under mild conditions in the aqueous phase. The catalyst prepared without surfactant showed good stability and no activity loss during all the performed cycles. By contrast, some deactivation phenomena took place with the surfactant‐templated catalyst. These phenomena were ascribed to both the partial surface oxidation and the surface adsorption of LA molecules giving deactivation during the second run.
High‐Yield Synthesis of Ethyl Lactate with Mesoporous Tin Silicate Catalysts Prepared by an Aerosol‐Assisted Sol–Gel Process
Authors: Godard Nicolas , Vivian Alvise , Fusaro Luca , Cannavicci Lorenzo , Aprile Carmela , Debecker Damien P. 
Published: January 2017

AbstractAn aerosol‐assisted sol–gel method is used to prepare mesoporous tin silicate catalysts that exhibit a record activity in the synthesis of ethyl lactate from dihydroxyacetone and ethanol. The method is based on the formation of an aerosol from a solution of precursors and surfactant. During the fast drying of the droplets, the surfactant self‐assembles and the Sn‐silica matrix is formed by polycondensation reactions. After calcination, the resulting material is composed of a true tin‐silicon mixed oxide in the form of spherical microparticles with calibrated mesopores of 5–6 nm. Sn species are incorporated in the silica network, mainly in the form of single sites. This makes these catalysts highly active for the targeted reaction, as shown by record turnover numbers. The catalyst is recyclable and truly heterogeneous as it can be reused for several cycles and it does not leach.
The Immobilization of Fructose Dehydrogenase on Nanoporous Gold Electrodes for the Detection of Fructose
Authors: Siepenkoetter Till , Salaj‐Kosla Urszula , Magner Edmond 
Published: January 2017

AbstractNanoporous gold electrodes were utilized as a support for the detection of d‐fructose. The immobilization of fructose dehydrogenase was achieved by adsorption on thiol‐ and diazonium‐bound carboxylic acid functional groups and subsequent crosslinking through cabodiimide‐initiated amide bond formation. The biosensor showed a linear response in the range 0.05–0.3 mM of d‐fructose with a sensitivity of 3.7±0.2 μA cm−2 mM−1 and a limit of detection of 1.2 μM. The response of the biosensor in a range of natural sweeteners and beverages compared very favorably to the results obtained by a commercially available kit. Accurate readings were obtainable after a very fast response time of less than 5 seconds. The biosensor showed high specificity towards d‐fructose in the presence of interfering sugars.
Analysis of time‐resolved laser‐induced breakdown spectra by mean field‐independent components analysis (MFICA) and multivariate curve resolution–alternating least squares (MCR‐ALS)
Authors: El Rakwe Maria , Rutledge Douglas Neil , Moutiers Gilles , Sirven Jean‐Baptiste 
Published: January 2017

Laser‐induced breakdown spectroscopy (LIBS) is an analytical technique allowing the determination of elemental concentrations in a variety of matrices in the solid, liquid, and gaseous phases. Because of the inherent complexity of the signal and to the high dimensionality of experimental data, chemometrics has been more and more applied in LIBS to perform samples identification or quantitative measurements. But multivariate methods can also be used for the description and physical interpretation of the plasma, particularly to exploit the temporal dimension of the LIBS signal, which is usually neglected in spectrochemical measurements.In this work, time‐resolved spectra of a pure aluminum sample were treated with 2 methods, mean field‐independent components analysis and multivariate curve resolution–alternating least squares, applying non‐negativity constraints for scores and components in both cases. Results obtained were compared with reference univariate measurements of the emission of the species of interest (ions, neutral atoms, and molecules). The interpretation of scores and components provided a physical description of phenomena that take place between species in the plasma, like ionic recombination and molecules formation. Overall, mean field‐independent components analysis and multivariate curve resolution–alternating least squares yield equivalent solutions with our dataset. This new approach is very promising for the treatment of time‐resolved data obtained by LIBS.
Covalent Capturing of Transient SUMO–SIM Interactions Using Unnatural Amino Acid Mutagenesis and Photocrosslinking
Authors: Taupitz Kim F. , Dörner Wolfgang , Mootz Henning D. 
Published: January 2017

AbstractThe weak interaction between the post‐translational modifier SUMO (small ubiquitin‐like modifier) and proteins containing the SUMO‐interacting motif (SIM) poses limitations to the identification of interaction partners of SUMOylated proteins and to the mapping of the interfaces. To overcome these limitations, genetically encoded photocrosslinker amino acids were incorporated close to the SIM‐interaction groove in human SUMO1. UV irradiation resulted in the desired covalent crosslinks both in a purified protein environment and in cell extracts.
Ruthenium‐Catalyzed meta‐Selective C−H Mono‐ and Difluoromethylation of Arenes through ortho‐Metalation Strategy
Authors: Li Zhong‐Yuan , Li Liang , Li Qi‐Li , Jing Kun , Xu Hui , Wang Guan‐Wu 
Published: January 2017

AbstractThe first example for the ruthenium‐catalyzed ligand‐directed meta‐selective C−H mono‐ and difluoromethylation is developed, affording a variety of new meta‐mono‐ and difluoromethylated 2‐phenylpyridines, 2‐phenylpyrimidines, and 1‐phenylpyrazoles in moderate‐to‐good yields. This new transformation exhibits broad substrate scope, good functional group tolerance, and high efficiency, and offers a practical approach to synthesize mono‐ and difluoromethylated arenes. Mechanistic studies indicate that a reaction pathway involving palladium‐initiated radical species is involved in the catalytic cycle. The new dual catalytic system consisting of compatible ruthenium(II) and palladium(0) complexes enables the key processes of C−H activation and mono‐/difluoromethyl‐radical formation to occur and achieves the meta‐selective functionalization efficiently. In addition, the present protocol can also be extended to non‐fluoromethylation.
Amine regeneration tests on MEA, DEA, and MMEA with respect to cabamate stability analyses
Authors: Shi Huancong , Zhou Yunlong , Si Mengyin , Zuo Yuanhui , Kang Shifei , Wang Yangang , Cui Lifeng , Idem Raphael , Tontiwachwuthikul Paitoon , Liang Zhiwu 
Published: January 2017

AbstractThe CO2 desorption analyses of several amines were performed to reveal the behaviour of the amine regeneration process. A typical primary amine (MEA) and two other secondary amines (MMEA and DEA) were selected, in preparation for amine solutions under different concentrations, from 1–7 mol/L. The regeneration curves were generated and plotted to describe the process. It was discovered that the specific CO2 loadings (mol/mol) that distinguish the amine regeneration curves into different regions were the same for the specific amine, despite different concentrations. These points were defined as “turning points” on regeneration curves. The turning points of MEA, MMEA, and DEA are located at CO2 loadings of 0.40 mol/mol, 0.38 mol/mol, and 0.28 mol/mol, respectively. The carbamate stabilities of the three amines were compared with each other based on the slope of regeneration curves at slow region. The amine regeneration tests compared the relative heat duty at the first 2 h: MMEA > MEA > > DEA, which is the same order as carbamate stability.
Economic trends for temperature of sugarcane bagasse pyrolysis
Authors: Gonçalves Edvan Vinícius , Seixas Fernanda Lini , de Souza Scandiuzzi Santana Lindinalva Rocha , Scaliante Mara Heloisa Neves Olsen , Gimenes Marcelino Luis 
Published: January 2017

AbstractThis work examines some aspects of sugarcane bagasse pyrolysis. Fixed bed pyrolysis was performed varying the final process temperature. Product yields and the variation of quality properties (calorific values) of bio‐oil, biochar, and non‐condensable gas were investigated. A mathematical model to simulate the trend of temperature that maximizes a marginal gain was developed considering the regression equations for yields and prices of products (related to market prices and calorific value of conventional fuels) and for the amount of biomass used to supply energy to the process. Two methodologies were adopted to calculate the optimum process temperature. The results showed very close temperatures (600 and 602 °C) for the best performing simulations of endogenous and fixed prices methods, with little difference between the yields of products, but with good variation between the marginal gains ($124.9/tonne and $129.8/tonne). Finally, the results of endogenous prices method for the fixed bed reactor were compared to the vacuum and fast pyrolysis reactors.
Generierung einer mikro‐ und nanostrukturierten Kupferoberfläche mit Lotos‐Effekt – Ein Versuch für die Sekundarstufen I und II
Authors: Bethke Christine , Adelung Rainer , Schwarzer Stefan 
Published: January 2017

AbstractEs gibt eine Vielzahl an Produkten auf dem Markt, die durch die Natur inspiriert wurden. Aufgrund der enormen Alltagsrelevanz sollte die relativ neue Wissenschaftsdisziplin Bionik zunehmend Einzug in den Schulunterricht finden. In diesem Artikel wird ein Versuch vorgestellt, mit dem der Lotos‐Effekt in den Regelunterricht der allgemeinbildenden Schulen eingeführt werden kann. Durch die Verwendung geeigneter Chemikalien wird eine hydrophile Kupferoberfläche so modifiziert, dass diese superhydrophobe und damit selbstreinigende Eigenschaften aufweist. Für die Erklärung des extrem wasserabweisenden Charakters des modifizierten Kupferplättchens muss die Oberflächenstruktur näher betrachtet werden. Folglich bietet der Versuch die schrittweise Erarbeitung der beobachtbaren Struktur‐Eigenschafts‐Beziehungen an und kann sowohl in der Sekundarstufe I (Wahlpflichtunterricht) als auch in der Sekundarstufe II (Chemie) eingesetzt werden. Er ermöglicht, einen forschend‐entwickelnden Ansatz in den Unterricht zu integrieren. Auch war der Versuch Anlass für Schülerinnen und Schüler, weitergehende experimentelle Fragestellungen zu bearbeiten und ihre Ergebnisse einem größeren Publikum im Rahmen eines Wettbewerbs vorzustellen.
Trifluoromethyl: An Amphiphilic Noncovalent Bonding Partner
Authors: Esterhuysen Catharine , Heßelmann Andreas , Clark Timothy 
Published: January 2017

AbstractThe traditional “Fδ−” picture of fluorine suggests that it can only interact with electrophilic centers such as backbone‐carbonyl carbon atoms or hydrogen‐bond donors in proteins. We show that this view, which neglects polarization, is incomplete and the trifluoromethyl groups can act both as electrophiles and nucleophiles to form noncovalent interactions. The underlying polarization mechanism is based on the anomeric effect and is only fully operative if the geometry is allowed to relax. MP2/aug‐cc‐pVDZ calculations on model systems demonstrate the effect of the unusual group polarizability of trifluoromethyl. A survey of the Protein Databank reveals more than 600 weak interactions involving a trifluorotoluene moiety. The unique combination of the anomeric effect and the group‐polarization process associated with it in CF3 allows its most negative molecular electrostatic potential (MEP) on the surface in contact with a nucleophile to become zero, so that the area of positive MEP on the backside of the carbon atom becomes dominant. However, the reverse polarization is also facile, so that CF3 can also act as an H‐bond acceptor for cations such as the guanidinium group of arginine.
The shifting phenological landscape: Within‐ and between‐species variation in leaf emergence in a mixed‐deciduous woodland
Authors: Cole Ella F. , Sheldon Ben C. 
Published: January 2017

AbstractMany organisms rely on synchronizing the timing of their life‐history events with those of other trophic levels—known as phenological matching—for survival or successful reproduction. In temperate deciduous forests, the extent of matching with the budburst date of key tree species is of particular relevance for many herbivorous insects and, in turn, insectivorous birds. In order to understand the ecological and evolutionary forces operating in these systems, we require knowledge of the factors influencing leaf emergence of tree communities. However, little is known about how phenology at the level of individual trees varies across landscapes, or how consistent this spatial variation is between different tree species. Here, we use field observations, collected over 2 years, to characterize within‐ and between‐species differences in spring phenology for 825 trees of six species (Quercus robur, Fraxinus excelsior, Fagus sylvatica, Betula pendula, Corylus avellana, and Acer pseudoplatanus) in a 385‐ha woodland. We explore environmental predictors of individual variation in budburst date and bud development rate and establish how these phenological traits vary over space. Trees of all species showed markedly consistent individual differences in their budburst timing. Bud development rate also varied considerably between individuals and was repeatable in oak, beech, and sycamore. We identified multiple predictors of budburst date including altitude, local temperature, and soil type, but none were universal across species. Furthermore, we found no evidence for interspecific covariance of phenology over space within the woodland. These analyses suggest that phenological landscapes are highly complex, varying over small spatial scales both within and between species. Such spatial variation in vegetation phenology is likely to influence patterns of selection on phenology within populations of consumers. Knowledge of the factors shaping the phenological environments experienced by animals is therefore likely to be key in understanding how these evolutionary processes operate.
Incidence of Wolbachia in aquatic insects
Authors: Sazama Eric J. , Bosch Michael J. , Shouldis Carmelita S. , Ouellette Scot P. , Wesner Jeff S. 
Published: January 2017

AbstractWolbachia is a genus of intracellular bacteria typically found within the reproductive systems of insects that manipulates those systems of their hosts. While current estimates of Wolbachia incidence suggest that it infects approximately half of all arthropod species, these estimates are based almost entirely on terrestrial insects. No systematic survey of Wolbachia in aquatic insects has been performed. To estimate Wolbachia incidence among aquatic insect species, we combined field‐collected samples from the Missouri River (251 samples from 58 species) with a global database from previously published surveys. The final database contained 5,598 samples of 2,687 total species (228 aquatic and 2,459 terrestrial). We estimate that 52% (95% CrIs: 44%–60%) of aquatic insect species carry Wolbachia, compared to 60% (58%–63%) of terrestrial insects. Among aquatic insects, infected orders included Odonata, Coleoptera, Trichoptera, Ephemeroptera, Diptera, Hemiptera, and Plecoptera. Incidence was highest within aquatic Diptera and Hemiptera (69%), Odonata (50%), and Coleoptera (53%), and was lowest within Ephemeroptera (13%). These results indicate that Wolbachia is common among aquatic insects, but incidence varies widely across orders and is especially uncertain in those orders with low sample sizes such as Ephemeroptera, Plecoptera, and Trichoptera.
Facilitation between woody and herbaceous plants that associate with arbuscular mycorrhizal fungi in temperate European forests
Authors: Veresoglou Stavros D. , Wulf Monika , Rillig Matthias C. 
Published: January 2017

AbstractIn late‐successional environments, low in available nutrient such as the forest understory, herbaceous plant individuals depend strongly on their mycorrhizal associates for survival. We tested whether in temperate European forests arbuscular mycorrhizal (AM) woody plants might facilitate the establishment of AM herbaceous plants in agreement with the mycorrhizal mediation hypothesis. We used a dataset spanning over 400 vegetation plots in the Weser‐Elbe region (northwest Germany). Mycorrhizal status information was obtained from published resources, and Ellenberg indicator values were used to infer environmental data. We carried out tests for both relative richness and relative abundance of herbaceous plants. We found that the subset of herbaceous individuals that associated withAMprofited when there was a high cover ofAMwoody plants. These relationships were retained when we accounted for environmental filtering effects using path analysis. Our findings build on the existing literature highlighting the prominent role of mycorrhiza as a coexistence mechanism in plant communities. From a nature conservation point of view, it may be possible to promote functional diversity in the forest understory through introducingAMwoody trees in stands when absent.
CLO‐PLA: a database of clonal and bud‐bank traits of the Central European flora
Authors: Klimešová Jitka , Danihelka Jiří , Chrtek Jindřich , de Bello Francesco , Herben Tomáš 
Published: January 2017

AbstractThis dataset presents comprehensive and easy‐to‐use information on 29 functional traits of clonal growth, bud banks, and lifespan of members of the Central European flora. The source data were compiled from a number of published sources (see the reference file) and the authors’ own observations or studies. In total, 2,909 species are included (2,745 herbs and 164 woody species), out of which 1,532 (i.e., 52.7% of total) are classified as possessing clonal growth organs (1,480, i.e., 53.9%, if woody plants are excluded). This provides a unique, and largely unexplored, set of traits of clonal growth that can be used in studies on comparative plant ecology, plant evolution, community assembly, and ecosystem functioning across the large flora of Central Europe. It can be directly imported into a number of programs and packages that perform trait‐based and phylogenetic analyses aimed to answer a variety of open and pressing ecological questions.
Molecular Switching of Copper Complexes with Quaterpyridine
Authors: Adamski Ariel , Osińska Małgorzata , Kubicki Maciej , Hnatejko Zbigniew , Consiglio Giuseppe , Patroniak Violetta 
Published: January 2017

AbstractInvited for the cover of this issue is the group of Violetta Patroniak from Adam Mickiewicz University, Poznań, Poland. The cover image shows the use of a quaterpyridine molecular switch as part of a molecular machine, which is presented as a system of gears.
Optimizing Current Terminals of 18 650 Lithium‐Ion Power Batteries under High Discharge Current
Authors: Duan Yushuang , Wu Hao , Huang Ling , Liu Lan , Zhang Yun 
Published: January 2017

AbstractNowadays, technology for the fabrication of batteries is critical in determining cell durability, especially for 18 650 power batteries. We report herein on the design of three types of electrode tabs serving as the current terminals of 18 650 full cells, including: one, the most common configuration in which one positive tab is located opposite to the negative tab; two, the more common configuration in which one positive tab is located in the middle, whereas the negative tab is located at the end; three, the optimal configuration in which two negative tabs are in parallel, whereas one positive tab is located in the middle. Among them, batteries with the type 3 tab configuration, owing to the smallest ohmic resistance, exhibit superior capacity retention of approximately 86 % at a discharge current of 7 C, which is much better than batteries with the common tab configuration (only 47 %). Besides, the optimized batteries could effectively suppress the decomposition of the electrolyte and loss of lithium from the cathode materials, which enabled excellent long‐term cycling stability (≈91 % capacity retention over 1000 cycles). The electrochemical degradation mechanism was also investigated. After the cycling test, the batteries with the optimal tab configuration showed the lowest increase in the impedance, the slightest cracks of the cathode materials, and the best structure integrity of the graphite anode than the two other counterparts.
A new approach for estimating seismic damage of buried water supply pipelines
Authors: Sakai H. , Pulido N. , Hasegawa K. , Kuwata Y. 
Published: January 2017

SummaryConventional damage prediction methods for lifeline structures are primarily based on peak ground motion measurements. However, line structures such as lifelines suffer damage that is mainly induced by the strain of the ground and therefore are likely to be vulnerable to sharp spatial changes in the ground motion. In this study, we propose a measure for evaluating the damage incurred by underground water supply pipelines based on the spatial gradient of the peak ground velocity (PGV), in an attempt to quantify the effects of the geospatial variabilities in the ground motion on pipeline damage. We investigated the spatial distribution of the damage caused to water pipelines during the Niigata‐ken Chuetsu earthquake on October 10, 2004 (Japan Meteorological Agency magnitude (MJMA) of 6.8) and the Kobe earthquake on January 17, 1995 (MJMA7.3) and compared the surveyed damage with the PGV distribution as well as with the gradients of the PGV calculated around the damage areas. For the Kobe earthquake, we used the PGV distribution obtained by the strong‐motion simulation performed by Matsushima and Kawase . In case of the Chuetsu earthquake, we estimated the ground motion using a broadband‐frequency‐based strong‐ground‐motion simulation method based on a multiasperity source model. In both cases, we calculated the gradients of the PGV along the geographical coordinates, with the amplitude of the PGV gradient vector being employed as the damage estimator. Our results show that the distribution of damage to underground water supply pipelines exhibits a greater correlation with the gradients of the PGV than with the PGV itself. Thus, the gradient of the PGV is a useful index for preparing initial‐screening hazard maps of underground facilities. Copyright © 2017 John Wiley & Sons, Ltd.