bluuebunny/crossref_metadata_2025_split huggingface dataset:
Oxide‐Supported Gold Clusters and Nanoparticles in Catalysis: A Computational Chemistry Perspective
Authors: Tosoni Sergio , Pacchioni Gianfranco 
Published: August 2018

AbstractThis review provides an insight into the simulation of gold nanoparticles supported on oxide surfaces, with particular emphasis on the applications in heterogeneous catalysis. Some important methodological issues are firstly addressed: the polymorphism of small gold clusters, the difficulty in determining the actual charge state of adsorbed gold atoms, the relevance of long‐range dispersion and relativistic effects and the size‐effects in modelling Au nanoparticles. Then, the adsorption of Au species on oxides is addressed by comparing bulk oxides to ultrathin oxide films supported on metals. The role of defects as nucleation centres is also discussed. Finally, this review addresses the contribution from computational studies on the mechanisms involving Au‐based heterogeneous catalysts in important reactions such as the CO oxidation, the water‐gas shift reaction and the CO2 hydrogenation to methanol.
Cyclophane‐Based Fluorescence Tuning Induced by Hydrostatic Pressure Changes
Authors: Sagara Yoshimitsu , Tamaoki Nobuyuki , Fukuhara Gaku 
Published: August 2018

AbstractIn contrast to a standard steady fluorescence intensity increase of a chloroform solution of a linear chromophore unit under high pressure, a fluorescent cyclophane solution shows significant fluorescence quenching under elevated pressure. A pressure‐induced enhancement of the formation of an intramolecular π‐stacked conformation is proposed to be responsible.
Hydrogenation of Inorganic Metal Carbonates: A Review on Its Potential for Carbon Dioxide Utilization and Emission Reduction
Authors: Lux Susanne , Baldauf‐Sommerbauer Georg , Siebenhofer Matthäus 
Published: August 2018

AbstractCarbonaceous minerals represent a valuable and abundant resource. Their exploitation is based on decarboxylation at elevated temperature and under oxidizing conditions, which inevitably release carbon dioxide into the atmosphere. Hydrogenation of inorganic metal carbonates opens up a new pathway for processing several metal carbonates. Preliminary experimental studies revealed significant advantages over conventional isolation technologies. Under a reducing hydrogen atmosphere, the temperature of decarboxylation is significantly lower. Carbon dioxide is not directly released into the atmosphere, but may be reduced to carbon monoxide, methane, and higher hydrocarbons, which adds value to the overall process. Apart from metal oxides in different oxidation states, metals in their elemental form may also be obtained if transition‐metal carbonates are processed under a hydrogen atmosphere. This review summarizes the most important findings and fields of the application of metal carbonate hydrogenation to elucidate the need for a detailed investigation into optimized process conditions for large‐scale applications.
Compound‐specific 15N analysis of amino acids: A tool to estimate the trophic position of tropical seabirds in the South China Sea
Authors: Wu Libin , Liu Xiaodong , Xu Liqiang , Li Linjie , Fu Pingqing 
Published: August 2018

AbstractCompound‐specific 15N analysis of amino acids (AAs) is a powerful tool to determine the trophic position (TP) of organisms. However, it has only been used in a few studies of avian ecology because the AA patterns in the consumer‐diet nitrogen trophic discrimination factor (TDFGlu‐Phe = ∆15NGlu−∆15NPhe) were unknown in birds until recently, and tropical seabirds have never been investigated with this methodology. Here, we explore the application of this method to tropical seabirds. In this study, we recovered the fossilized bones of tropical seabirds from ornithogenic sediments on two coral islands in the Xisha Islands, South China Sea, as well as the bones and muscle of their predominant food source, flying fish (Exocoetus volitans). Compound‐specific 15N and 13C analyses of AAs in both seabird and fish bone collagen were conducted. The TP of flying fish was calculated based on a widely used single TDFGlu‐Phe approach. We then calculated the TP of tropical seabirds in three different ways: (a) according to the composition of their diet; (b) based on the single TDFGlu‐Phe approach; and (c) using a multi‐TDFGlu‐Phe approach. The results of the multi‐TDFGlu‐Phe approach were much closer to the results based on the composition of the seabird diet than the results of the single TDFGlu‐Phe approach, confirming its applicability for tropical seabirds. For seabird bone samples of different ages, TP determined from the multi‐TDFGlu‐Phe approach was most similar to that of bulk δ15N of bird collagen, with seabirds occupying higher TPs during the Little Ice Age, as previously shown. In addition, the 13C Suess effect was reflected in the AAs δ13C in our samples. This study applied a compound‐specific 15N analysis of AAs to determine the TP of tropical seabirds that has potential to extend to all tropical seabirds many of which are widely distributed and play a key role in the evolution of coral island ecosystems.
Reproductive effort and future parental competitive ability: A nest box removal experiment
Authors: Fokkema Rienk W. , Ubels Richard , Both Christiaan , de Felici Livia , Tinbergen Joost M. 
Published: August 2018

AbstractThe life history trade‐off between current and future reproduction is a theoretically well‐established concept. However, empirical evidence for the occurrence of a fitness cost of reproduction is mixed. Evidence indicates that parents only pay a cost of reproduction when local competition is high. In line with this, recent experimental work on a small passerine bird, the Great tit (Parus major) showed that reproductive effort negatively affected the competitive ability of parents, estimated through competition for high quality breeding sites in spring. In the current study, we further investigate the negative causal relationship between reproductive effort and future parental competitive ability, with the aim to quantify the consequences for parental fitness, when breeding sites are scarce. To this end, we (a) manipulated the family size of Great tit parents and (b) induced severe competition for nest boxes among the parents just before the following breeding season by means of a large‐scale nest box removal experiment. Parents increased their feeding effort in response to our family size manipulation and we successfully induced competition among the parents the following spring. Against our expectation, we found no effect of last season's family size on the ability of parents to secure a scarce nest box for breeding. In previous years, if detected, the survival cost of reproduction was always paid after midwinter. In this year, parents did pay a survival cost of reproduction before midwinter and thus before the onset of the experiment in early spring. Winter food availability during our study year was exceptionally low, and thus, competition in early winter may have been extraordinarily high. We hypothesize that differences in parental competitive ability due to their previous reproductive effort might have played a role, but before the onset of our experiment and resulted in the payment of the survival cost of reproduction.
Moving window growth—A method to characterize the dynamic growth of crops in the context of bird abundance dynamics with the example of Skylark (Alauda arvensis)
Authors: Hoffmann Jörg , Wittchen Udo , Berger Gert , Stachow Ulrich 
Published: August 2018

AbstractAgricultural field crops differ in their vegetation height, coverage, and temporal development, affecting the abundances of bird species, which are often used as bioindicators. Although this relationship has been observed, no significant methodology exists to describe the dynamics of field crop growth on a landscape scale in connection with the abundance of indicator bird species that allows meaningful interpretation of bird abundance data with respect to crop vegetation parameters during the breeding season. In a field observation program, we monitored 2,900 ha of agricultural landscape to represent both the crop growth processes and the bird abundances. We measured these two parameters in the study area, dominated by winter wheat, winter rapeseed, maize, and fallow fields, and adapted the moving window approach to a new method of “moving window growth” to describe the dynamic development of height and coverage of the crops over time. Simultaneously, Skylarks (Alauda arvensis) territorial behavior was measured concurrently on the same fields and crops. Their dynamic abundance was documented over the breeding season. To test the relationship between crop growth and development and bird abundance, we applied a generalized linear model (GLM) in two ways: (a) without differentiation of crop species and (b) with differentiation of crop species. We found significant relationships between bird abundance and vegetation height and coverage with respect to both individual parameters and their interactions, even without differentiation of the agricultural crops. In general, increasing vegetation height and coverage, especially the interaction, led to decreasing bird abundance values. The model quality increased significantly by including differentiation of specific crops as an explanatory variable indicating a non‐homogenous situation between crops. Separate models for individual crop species revealed larger differences in model quality with best and least goodness of fit values for fallow fields and winter rapeseed, respectively. Because of the clear interactions between bird abundance, type of field crop, and vegetation height and coverage, it follows that both habitat suitability assessments of arable fields and the definition of favorable vegetation structures for farmland birds should be crop species‐specific.
Cooccurrence of prey species alters the impact of predators on prey performance through multiple mechanisms
Authors: Ruehl Clifton B. , Vance‐Chalcraft Heather , Chalcraft David R. 
Published: August 2018

AbstractWhen prey are differentially affected by intra and interspecific competition, the cooccurrence of multiple prey species alters the per capita availability of food for a particular prey species which could alter how prey respond to the threat of predation, and hence the overall‐effect of predators. We conducted an experiment to examine the extent to which the nonconsumptive and overall effect of predatory water bugs on snail and tadpole traits (performance and morphology) depended on whether tadpoles and snails cooccurred. Tadpoles and snails differed in their relative susceptibility to intraspecific and interspecific competition, and predators affected both prey species via consumptive and nonconsumptive mechanisms. Furthermore, the overall effect of predators often depended on whether another prey species was present. The reasoning for why the overall effect of predators depended on whether prey species cooccurred, however, differed for each of the response variables. Predators affected snail body growth via nonconsumptive mechanisms, but the change in the overall effect of predators on snail body growth was attributable to how snails responded to competition in the absence of predators, rather than a change in how snails responded to the threat of predation. Predators did not affect tadpole body growth via nonconsumptive mechanisms, but the greater vulnerability of competitively superior prey (snails) to predators increased the strength of consumptive mechanisms (and hence the overall effect) through which predators affected tadpole growth. Predators affected tadpole morphology via nonconsumptive mechanisms, but the greater propensity for predators to kill competitively superior prey (snails) enhanced the ability of tadpoles to alter their morphology in response to the threat of predation by creating an environment where tadpoles had a higher per capita supply of food available to invest in the development of morphological defenses. Our work indicates that the mechanisms through which predators affect prey depends on the other members of the community.
The selective ROCK2 inhibitor KD025 reduces IL‐17 secretion in human peripheral blood mononuclear cells independent of IL‐1 and IL‐6
Authors: Tengesdal Isak W. , Kitzenberg David , Li Suzhao , Nyuydzefe Melanie S. , Chen Wei , Weiss Jonathan M. , Zhang Jingya , Waksal Samuel D. , Zanin‐Zhorov Alexandra , Dinarello Charles A. 
Published: August 2018

AbstractReducing the activities of the pro‐inflammatory cytokine IL‐17 is an effective treatment strategy for several chronic autoimmune disorders. Rho‐associated coiled‐coil containing kinase 2 (ROCK2) is a member of the serine‐threonine protein kinase family that regulates IL‐17 secretion in T cells via signal transducer and activator of transcription 3 (STAT3)‐dependent mechanism. We reported here that the selective ROCK2 inhibitor KD025 significantly reduced in vitro production of IL‐17 in unfractionated human peripheral blood mononuclear cells (PBMCs) stimulated with the dectin‐1 agonist Candida albicans. C. albicans induced IL‐17 was reduced by 70% (p < 0.0001); a similar reduction (80%) was observed in PBMC stimulated with the Toll‐like receptor 2 agonist Staphylococcus epidermidis (p < 0.0001). Treatment of PBMC with KD025 was not associated with a reduction in IL‐1β, IL‐6 or IL‐1α levels; in contrast, a 1.5 fold increase in the level of IL‐1 receptor antagonist (IL‐1Ra) was observed (p < 0.001). KD025 down‐regulated C. albicans‐induced Myosin Light Chain and STAT3, whereas STAT5 phosphorylation increased. Using anti‐CD3/CD28 activation of the TCR, KD025 similarly suppressed IL‐17 independent of a reduction in IL‐1β. Thus, ROCK2 directly regulates IL‐17 secretion independent of endogenous IL‐1 and IL‐6 supporting development of selective ROCK2 inhibitors for treatment of IL‐17‐driven inflammatory diseases.
3D Nickel Scaffolded MoS2 Nanoflakes as Sodium Battery Anode with Improved Cycling Life and Rate Capability
Authors: Zhu Xiuting , Ren Weina , Yang Yaping , Cheng Chuanwei 
Published: August 2018

AbstractWe report the design and fabrication of 3D nickel inverse opals scaffolded MoS2 nanoflakes (MoS2@Ni IO) by a combination of colloid spheres template, electrochemical deposition, and hydrothermal growth routes. The MoS2@Ni IO is further evaluated as sodium ion battery anode, which exhibits a high specific capacity (696.9 mAh/g of the second cycle), long cycling life stability (620.1 mAh/g after 200 cycles at 200 mA/g) and excellent rate capability. The excellent electrochemical performance of the electrode can be attributed to the unique 3D electrode design, in which the 3D ordered Ni scaffold shortens the ion diffusion paths, improves the electronic conductivity and mechanical stability, while the ultrathin MoS2 nanoflakes are involving in the Na+ insertion/extraction.
Synthesis of 4‐aryl‐ and 4‐acyl‐1,3‐dithiole‐2‐thiones via deprotonative zincation of 1,3‐dithiole‐2‐thione
Authors: Otsuka Shinya , Yorimitsu Hideki 
Published: August 2018

AbstractWe have developed deprotonative zincation of 1,3‐dithiole‐2‐thione at the 4‐position. Addition of lithium diisopropylamide to a THF solution of 1,3‐dithiole‐2‐thione containing ZnI2 and LiI generated the corresponding organozinc species. After this zincation, various aryl and acyl groups were installed at the 4‐position by Pd‐catalyzed cross‐coupling reaction with aryl iodides and Cu‐catalyzed acylation with acyl chlorides, respectively.
Hippocampal brain‐derived neurotrophic factor determines recruitment of anatomically connected networks after stress in diabetic mice
Authors: Wosiski‐Kuhn Marlena , Bota Mihail , Snider Christina A. , Wilson Steven P. , Venkataraju Kannan U. , Osten Pavel , Stranahan Alexis M. 
Published: August 2018

AbstractDiabetes increases adrenal steroids in humans and animal models, but potential interactions with psychological stress remain poorly understood. Diabetic rodents exhibit anxiety and reductions in hippocampal brain‐derived neurotrophic factor (BDNF) expression, and these studies investigated whether loss of BDNF‐driven hippocampal activity promotes anxiety and disinhibits the HPA axis. Mice with genetic obesity and diabetes (db/db) received intrahippocampal injections of lentivirus for BDNF overexpression (db/db‐BDNFOE), and Wt mice received lentiviral constructs for BDNF knockdown (Wt‐BDNFKD). Behavioral anxiety and glucocorticoid responses to acute restraint were compared with mice that received a fluorescent reporter (Wt‐GFP, db/db‐GFP). These experiments revealed that changes in hippocampal BDNF were necessary and sufficient for behavioral anxiety and HPA axis disinhibition. To examine patterns of stress‐induced regional activity, we used algorithmic detection of cFos and automated segmentation of forebrain regions to generate maps of functional covariance, which were subsequently aligned with anatomical connectivity weights from the Brain Architecture Management database. db/db‐GFP mice exhibited reduced activation of the hippocampal ventral subiculum (vSub) and anterior bed nucleus of stria terminalis (aBNST), and increases in the paraventricular hypothalamus (PVH), relative to Wt‐GFP. BDNFKD recapitulated this pattern in Wt mice, and BDNFOE normalized activation of the vSub > aBNST > PVH pathway in db/db mice. Analysis of forebrain activation revealed largely overlapping patterns of network disruption in db/db‐GFP and Wt‐BDNFKD mice, implicating BDNF‐driven hippocampal activity as a determinant of stress vulnerability in both the intact and diabetic brain.
The Relationship between Emotional Intelligence and Domain‐Specific and Domain‐General Creativity
Authors: Tu Cuiping , Guo Jiajun , Hatcher Ryan C. , Kaufman James C. 
Published: August 2018

ABSTRACTThe Amusement Park Theory of Creativity, which represents both domain‐specific and domain‐general perspectives of creativity, calls for more research on how individual difference constructs are related to creativity at all ends of the domain‐specificity and general spectrum. Toward this goal, this study examined emotional intelligence (using the Emotional Intelligence Scale) in relationship with both a domain‐general measure (the Abbreviated Torrance Test for Adults) and a domain‐specific measure (Kaufman Domains of Creativity Scale) in a sample of 281 Chinese undergraduates. Although emotional intelligence demonstrated no relationship with divergent thinking, it did positively predict all five domains of creativity on the self‐report measure (ranging from .52 to .77). These findings add to the nuanced relationship between emotional intelligence and creativity and serve as a call for more work of this nature.
Translating External Knowledge to Team Creativity in Turbulent Environments: The Role of Absorptive Capacity and Knowledge Integration
Authors: Men Chenghao , Luo Jinlian , Fong Patrick S. W. , Zhong Jing , Huo Weiwei 
Published: August 2018

AbstractIn seeking to understand factors contributing to team creativity in dynamic environments, we explored the role of external knowledge search on team creativity through absorptive capacity and knowledge integration. We tested our hypotheses with a sample of 96 teams involving 421 employees in China. Results demonstrated that external knowledge search related positively to team creativity, fully mediated by both absorptive capacity and knowledge integration. In addition, environmental dynamism played a moderating role in the relation between external knowledge search and absorptive capacity, as well as in the relation between external knowledge search and knowledge integration. We discussed the implications of these findings for research and practice.
Complex mixture quantification without calibration using gas chromatography and a comprehensive carbon reactor in conjunction with flame ionization detection
Authors: Bai Ling , Carlton Doug D. , Schug Kevin A. 
Published: August 2018

AbstractQuantification of complex carbon‐containing mixtures is typically a very time‐intensive task with regards to the calibration process. A gas chromatograph with a flame ionization detector yields strong responses to organic compounds and provides a wide linear range over many orders of magnitude; however, responses for highly functionalized and heteroatom‐containing compounds can be variable. Here, a commercial Polyarc microreactor unit, placed before the flame ionization detector, was investigated as a means of normalizing carbon response across all compounds. The device includes two catalytic reaction chambers, ultimately converting all carbon atoms to methane evenly for flame ionization detection. Three groups of different complex mixtures from n‐alkane to terpene and polymer mixtures were analyzed to evaluate the potential for calibration‐free quantitation of the new detector arrangement. We have obtained accurate quantification results without time‐consuming calibration processes. The quantification of a terpene mixture and a polymer mixture confirms the ability of the detector for analyzing samples that either have complex physical or structural properties or wide concentration range. In summary, compared to other detectors, this methanizer – flame ionization detection system provides a simplified workflow, which can eliminate calibration steps and increase throughput.
A miniaturized solid‐phase extraction adsorbent of calix[4]arene‐functionalized graphene oxide/polydopamine‐coated cellulose acetate for the analysis of aflatoxins in corn
Authors: Nurerk Piyaluk , Bunkoed Warapon , Kanatharana Proespichaya , Bunkoed Opas 
Published: August 2018

AbstractA calix[4]arene‐functionalized graphene oxide/polydopamine‐coated cellulose acetate adsorbent was fabricated for the pre‐concentration of aflatoxins. The highly porous developed adsorbent does not produce the high backpressure that normally occurs in particle‐packed cartridges and its large surface area helps to improve adsorption. The highly efficient adsorption of aflatoxins by the hybrid adsorbent is facilitated via hydrogen bonding and hydrophobic and π‐π interactions. Polymerization time, amount of calix[4]arene‐functionalized graphene oxide, type and volume of desorption solvent, sample pH, sample volume, and sample flow rate were optimized. The linearity of aflatoxin B1 was in the range of 0.01–10.0 μg/kg, aflatoxin B2 was in the range of 0.02–10.0 μg/kg and aflatoxin G1 and aflatoxin G2 were in the range of 0.050–10.0 μg/kg. The limits of detection were 0.01 μg/kg for aflatoxin B1, 0.02 μg/kg for aflatoxin B2 and 0.05 μg/kg for aflatoxin G1 and aflatoxin G2. The developed calix[4]arene‐functionalized graphene oxide/polydopamine‐coated cellulose acetate adsorbent was successfully utilized for the analysis of aflatoxins from corn samples and the extraction efficiency was satisfactory with obtained recoveries from 83.0 to 106.7%. Moreover, fabricated adsorbent is easy to prepare, inexpensive, and can be reused.