bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis of a Novel Imprinted Polymeric Material for Simultaneous Recognition of Methamidophos and Acephate
Authors: Wang Xilong , Zhang Limin , Li Mingxiao , Xu Zhixiang 
Published: May 2013

ABSTRACTIn this study, a novel molecularly imprinted polymer was synthesized using acephate as the template molecule, methacrylic acid as the functional monomer, and ethylene glycol dimethacrylate as the cross‐linker. The imprinted polymer was characterized by the static adsorption experiments, and results showed that it had higher adsorption capacity toward acephate and methamidophos than the nonimprinted polymers. Competitive experiments indicated that this material exhibited low selective recognition properties toward acephate in aqueous solution. This prepared material also offered fast kinetics for the adsorption of acephate. After shaking for 90 min, an adsorption capacity of 9.54 mg/g was obtained, and it almost reached the adsorption equilibrium within 120 min. © 2013 Wiley Periodicals, Inc. Adv Polym Technol 2013, 32, 21357; View this article online at wileyonlinelibrary.com. DOI 10.1002/adv.21357
Set‐point weight tuning rules for fractional‐order PID controllers
Authors: Padula Fabrizio , Visioli Antonio 
Published: May 2013

AbstractThe problem of tuning the set‐point weight for fractional‐order proportional‐integral‐derivative (FOPID) controllers is addressed in this paper. Tuning rules are given in order to use the set‐point weight effectively for the recovering of the set‐point following performance when the FOPID controller is tuned in order to optimize the load disturbance rejection performance. Self‐regulating, integral and unstable processes are considered. Simulation results show the effectiveness of the proposed tuning rules and the comparison with integer‐order PID controllers.
Discrimination of single base mismatched oligonucleotides related to the rpoB gene of Mycobacterium tuberculosis using a surface plasmon resonance biosensor
Authors: Rachkov A. , Patskovsky S. , Soldatkin A. , Meunier M. 
Published: May 2013

AbstractSingle base mismatched oligonucleotides related to the rpoB gene of Mycobacterium tuberculosis, the mutations of which cause drug resistance of the infectious agent, were detected and discriminated using a surface plasmon resonance biosensor system. Thiol‐modified oligonucleotides of the selected sequence (the probe) and 1‐mercapto‐6‐hexanol were immobilized on a gold sensor surface. Hybridization between immobilized probe P2 and perfectly matched target T2 as well as a single base mismatched target TN was investigated in buffer solutions of various stringencies. Discrimination of perfectly matched and single base mismatched targets is achieved due to a difference in the level of their hybridization with the immobilized probe depending on stringency of the buffer solution. In 0.5×SSC buffer solution (7.5 mM sodium citrate, pH 7, containing 75 mM NaCl), sensor response at T2 injection into the measuring sensor cell was 16 times that at TN injection. The experimental results on surface hybridization between the studied oligonucleotides demonstrated a good correlation with theoretical calculations of thermodynamic parameters of these interactions in the solution. The described approach could be proposed as a basis for creating a biosensor for real‐time label‐free diagnostics of drug‐resistant tuberculosis.
Steric and electronic interactions controlling the cis/trans isomer equilibrium at X‐pro tertiary amide motifs in solution
Authors: Reddy Damodara N. , Prabhakaran Erode N. 
Published: May 2013

ABSTRACTA systematic understanding of the noncovalent interactions that influence the structures of the cis conformers and the equilibrium between the cis and the trans conformers, of the X‐Pro tertiary amide motifs, is presented based on analyses of1H‐,13C‐NMR and FTIR absorption spectra of two sets of homologous peptides, X‐Pro‐Aib‐OMe and X‐Pro‐NH‐Me (where X is acetyl, propionyl, isobutyryl and pivaloyl), in solvents of varying polarities. First, this work shows that the cis conformers of any X‐Pro tertiary amide motif, including Piv‐Pro, are accessible in the new motifs X‐Pro‐Aib‐OMe, in solution. These conformers are uniquely observable by FTIR spectroscopy at ambient temperatures and by NMR spectroscopy from temperatures as high as 273 K. This is made possible by the persistent presence of ni‐1→πi* interactions at Aib, which also influence the disappearance of steric effects at these cis X‐Pro rotamers. Second, contrary to conventional understanding, the energy contribution of steric effects to the cis/trans equilibrium at the X‐Pro motifs is found to be nonvariant (0.54 ± 0.02 kcal/mol) with increase in steric bulk on the X group. Third, the current studies provide direct evidence for the weak intramolecular interactions namely the ni‐1→πi*, the NPro•••Hi+1(C5a), and the C7hydrogen bond that operate and influence the structures, stabilities, and dynamics between different conformational states of X‐Pro tertiary amide motifs. NMR and IR spectral data suggest that the cis conformers of X‐Pro motifs are ensembles of short‐lived rotamers about the C′X–NProbond. © 2013 Wiley Periodicals, Inc. Biopolymers 101: 66–77, 2014.
A heterogeneous CPU–GPU parallel approach to a multigrid Poisson solver for incompressible fluid simulation
Authors: Jung Hwi‐Ryong , Kim Sun‐Tae , Noh Junyong , Hong Jeong‐Mo 
Published: May 2013

ABSTRACTOne of the major obstacles in incompressible fluid simulations is the projection step that enforces zero divergence of the velocity field. We propose a novel heterogeneous CPU–GPU parallel multigrid Poisson solver that decomposes the high‐frequency components of the residual field using a wavelet decomposition and conducts an additional smoothing process on them, using the CPU, while the GPU is performing projection at the coarsest level. In example animations of smoke and turbulent flow with thermal buoyancy, this additional smoothing improves the accuracy of the parallel multigrid Poisson solver in a single multigrid cycle and reduces the number of multigrid cycles required to reach a specified accuracy. Copyright © 2013 John Wiley & Sons, Ltd.
Toward socially responsible agents: integrating attachment and learning in emotional decision‐making
Authors: Moussa Maher Ben , Magnenat‐Thalmann Nadia 
Published: May 2013

ABSTRACTOur goal is to create socially responsible agents, either robots or virtual humans. In this paper, we present an integration of emotions, attachment, and learning in emotional decision‐making to achieve this goal. Based on emerging psychological theories, we aim at building human‐like emotional decision‐making, where emotions play a central role in selecting the next action to be performed by the agent. Here, we present our own approach for emotion appraisal where we use emotional attachment as an important impulse for determining the intensities of emotions. Emotions in their turn are used to calculate the emotional attachment toward the users and for learning to predict future consequences. We report on the results of a simulation evaluation where we assess the influence of emotions, attachment, and learning on decision‐making. It is our strong belief that by giving an agent the ability to have emotions and to feel empathy and emotional attachment toward others, we will ultimately give this agent the ability to learn and improve its social behavior skills through interactions with the users and through user feedback. Copyright © 2013 John Wiley & Sons, Ltd.
Preparation and Control of the Size Distribution of Zirconia Nanoparticles in a Concentric‐Axle Dual‐Pipe Microreactor
Authors: Maki T. , Kitada J.‐I. , Mae K. 
Published: May 2013

AbstractA dual‐pipe‐type microreactor was applied to the formation of nanoparticles at a very rapid reaction rate. As a representative example, zirconia particles were produced by supplying zirconium tetrabutoxide solutes and alcohol/water mixtures. The effects of the solvent and alcohol types and the residence time on the particle properties were examined. Zirconia particles were produced and grown in an inner fluid, and no precipitation of particles was observed at the wall in the outer fluid. When ethanol was used as a solvent for diluting water, the zirconia particles had a sharp narrow size distribution that could not be attained by means of a conventional batch method. The mean particle size was successfully controlled in the range of 4–600 nm merely by changing the mean residence time and the concentrations of zirconium tetrabutoxide and water in the presence of a dispersant, polyethyleneimine.
Life Cycle Assessment in Chemical and Micro Reaction Engineering
Authors: Zschieschang E. , Pfeifer P. , Schebek L. 
Published: May 2013

AbstractLife cycle assessment (LCA) has become increasingly popular in chemical industry as a standardized methodology for analysis of the environmental impact of products during their whole life cycle. Changes in process design by novel approaches like micro reaction engineering and the respective influence on the use of life cycle assessment are reviewed. The available literature on LCA in early research and development is comprehensively explored for conventional chemical and micro reaction engineering.
Microreactors and CFD as Tools for Biocatalysis Reactor Design: A case study
Authors: Bodla V. K. , Seerup R. , Krühne U. , Woodley J. M. , Gernaey K. V. 
Published: May 2013

AbstractMicroreactors have been used for acquiring process data while consuming significantly lower amounts of expensive reagents. In this article, the combination of microreactor technology and computational fluid dynamics (CFD) is shown to contribute significantly towards understanding the diffusional properties of the substrate and the product of a biocatalytic reaction. Such knowledge is then applied to design reactor configurations. It has been demonstrated that this kind of knowledge is crucial for the choice and design of reactors. In the discussion, it is highlighted how microreactor‐based platforms with similar dimensions to the ones tested here can be used as a screening tool for screening biocatalyst and process alternatives.
The influence of vegetation on the hydrodynamics and geomorphology of a tree island in Everglades National Park (Florida, United States)
Authors: Sullivan Pamela L. , Engel Vic , Ross Michael S. , Price René M. 
Published: May 2013

ABSTRACTTranspiration‐driven nutrient accumulation has been identified as a potential mechanism governing the creation and maintenance of wetland vegetation patterning. This process may contribute to the formation of nutrient‐rich tree islands within the expansive oligotrophic marshes of the Everglades (Florida, United States). This study presents hydrogeochemical data indicating that tree root water uptake is a primary driver of groundwater ion accumulation across one of these islands. Sap flow, soil moisture, water level, water chemistry, and rainfall were measured to identify the relationships between climate, transpiration, and groundwater uptake by phreatophytes and to examine the effect this uptake has on groundwater chemistry and mineral formation in three woody plant communities of differing elevations. During the dry season, trees relied more on groundwater for transpiration, which led to a depressed water table and the advective movement of groundwater and dissolved ions, including phosphorus, from the surrounding marsh towards the centre of the island. Ion exclusion during root water uptake led to elevated concentrations of all major dissolved ions in the tree island groundwater compared with the adjacent marsh. Groundwater was predominately supersaturated with respect to aragonite and calcite in the lower‐elevation woody communities, indicating the potential for soil formation. Elevated groundwater phosphorous concentrations detected in the highest‐elevation woody community were associated with the leaching of inorganic sediments (i.e. hydroxyapatite) in the vadose zone. Understanding the complex feedback mechanisms regulating plant/groundwater/surface water interactions, nutrient dynamics, and potential soil formation is necessary to manage and restore patterned wetlands such as the Everglades. Copyright © 2013 John Wiley & Sons, Ltd.
Hydrologic variation of stemflow yield across co‐occurring dominant canopy trees of varying mortality
Authors: Frost Ethan E. , Levia Delphis F. 
Published: May 2013

ABSTRACTConcern over forest dieback due to environmental change and the long residence times of standing dead trees necessitates understanding the impact of forest health on the redistribution of precipitation by forest canopies. Stemflow represents a critical point source input of water and nutrients to forest ecosystems. We investigate the variation in water storage capacity, stemflow volume and stemflow funnelling ratios from two co‐occurring dominant canopy species, Fagus grandifolia Ehrh. (American beech) and Liriodendron tulipifera L. (yellow poplar), across three different mortality classes: live, stressed (girdled) and standing dead. Over 25 rainfall events, interspecific differences in stemflow volume distributions were significant over all (U = 45 881, p < 0·0001), leaf‐off (U = 11 285, p < 0·0001) and leaf‐on (U = 11 582, p < 0·0001) events. Stemflow funnelling ratios were greater in F. grandifolia (26·0 ± 1·2) compared with L. tulipifera (4·9 ± 0·4). Minimum precipitation threshold amounts required to initiate stemflow were lower for F. grandifolia compared with L. tulipifera, and lower for live and stressed compared with dead. Mean stemflow volume from both species was 1·5 ± 0·2 l stem−1 event−1 from dead stems, 89·2 ± 7·7 l stem−1 event−1 from stressed stems and 91·3 ± 8·9 l stem−1 event−1 from live stems. The results of this study improve our understanding of the influence of mortality on rainfall partitioning and stemflow fluxes and may give insight into how mortality generating factors such as pest defoliation and climate change may alter stemflow relationships in forested ecosystems. Copyright © 2013 John Wiley & Sons, Ltd.
Characterization of PCFC‐Electrolytes Deposited by Reactive Magnetron Sputtering; Comparison with Ceramic Bulk Samples
Authors: Arab Pour Yazdi M. , Briois P. , Georges S. , Costa R. , Billard A. 
Published: May 2013

AbstractSrZr0.84Y0.16O3–α (SZY16), BaZr0.84Y0.16O3–α (BZY16), BaCe0.8Zr0.1Y0.1O3–α (BCZY10), and BaCe0.90Y0.10O3–α (BCY10) thin films with the thickness of lower than 6 micron are successfully deposited by reactive magnetron sputtering on alumina substrate covered by about 200 nm Pt3Ti collector layer. The corresponding ceramic bulk samples are prepared by solid state reaction. In order to obtain dense BZY16 and BCZY10 samples, 1 wt.% ZnO was added before sintering process.As deposited films are amorphous and crystallise under the expected crystal structure at different temperatures (e.g., SZY16 ≈ 623 K; BZY16 ≈ 423 K; BCY10 ≈ 873 K, and BCZY10 ≈ 873 K). SZY16 and BZY16 coatings are stable in air with respect to carbonation and hydration. BZY16 coatings require an in situ crystallization in order to avoid further cracking due to the tensile stress generation associated with the crystallization phenomenon, so they are deposited directly onto hot substrate (Tsubstrate ≈ 523 K). BCZY10 amorphous coatings present a good chemical stability against carbonation in air up to 573 K but the coatings decompose in BaCO3 and CeO2 mixture after annealing treatment at around 873 K for 2 h in air, instead of the expected double substituted BaCeO3 perovskite structure. Nevertheless, the crystallization perovskite structure is obtained after annealing treatment under vacuum to prevent the carbonation of the coating. BCY10 requires in situ crystallisation (Tsubstrate ≈ 873 K) to obtain BaCeO3 structure while avoiding the carbonation of the film. All the bulk samples present the perovskite structure with a relative density higher than ∼80% and without trace of ZnO or BaCO3. Eighty percent of relative density was demonstrated to give a good compromise between porosity and grain boundary blocking effects. The electrical properties of the films and pellets are investigated by AC impedance spectroscopy in air. Conductivities of crystallised coatings are close but always significantly lower than those of ceramic bulk samples of the same composition.
A Novel Carbon‐Encapsulated Cobalt‐Tungsten Carbide as Electrocatalyst for Oxygen Reduction Reaction in Alkaline Media
Authors: Zhong G. , Wang H. , Yu H. , Peng F. 
Published: May 2013

AbstractCarbon‐encapsulated cobalt‐tungsten carbides (CoWC@C) were synthesized by reduction and carbonization method and used as the electrocatalyst for oxygen reduction reaction (ORR) in direct methanol fuel cells. The as‐prepared samples were characterized by transmission electron microscope, X‐ray diffraction, and X‐ray photoelectron spectroscopy. The results show that CoWC@C consists of outer layer carbon and internal Co3W3C, WC, and Co. The cyclic voltammetry results show that CoWC@C has high ORR activity, long‐term durability, and good methanol‐tolerant performance. It is revealed that the main active phase for ORR of CoWC@C is Co3W3C, and the outer layer carbon plays the role in improving the durability of the catalyst.
Acute mood effect of donepezil in young, healthy volunteers
Authors: Pompeia Sabine , Gouveia Juliana Ramos , Galduróz José Carlos Fernandes 
Published: May 2013

ObjectiveChronic use of the acetylcholinesterase inhibitor donepezil has been found to improve mood or to induce mania/hypomania in many neuropsychiatric patients with altered cholinergic and dopaminergic tone. Our aim was to determine whether acutely administered donepezil would alter mood in volunteers with no such alterations.MethodsThis investigation was a double‐blind, crossover design study of 15 young, healthy male participants who were allocated in random order to three oral treatments: placebo and 5‐mg and 7.5‐mg donepezil (doses which exert clinical and acute cognitive effects without considerable peripheral side effects). At the theoretical peak‐plasma concentrations of donepezil, volunteers rated how they felt on validated questionnaires, which included various dimensions of subjective feelings. We also assessed changes in brain‐derived neurotrophic factor (BDNF), which is increased by donepezil after chronic regimes and is related to modulation of mood.ResultsDonepezil significantly increased ratings of vigour and anxiety symptoms (medium effect sizes). No changes in bodily symptoms or BDNF were observed.ConclusionsAcute donepezil administration in participants with unaltered cholinergic and dopaminergic tone led to positive and negative changes in affect. These results call for further research on the direct mood effects of donepezil. Copyright © 2013 John Wiley & Sons, Ltd.
Implementing a nonlinear groundwater module in the soil and water assessment tool (SWAT)
Authors: Wang Y. , Brubaker K. 
Published: May 2013

AbstractThe Soil and Water Assessment Tool (SWAT) is widely used in modeling water quantity and quality. In the original SWAT, groundwater flow is calculated using a linear‐reservoir model, with outflow proportional to storage. However, observations show that this assumption is not always applicable; for example, macropores in Karst formations would seriously affect the groundwater behavior. A nonlinear groundwater algorithm was introduced in a new version of the SWAT model, called ISWAT. The Shenandoah Valley area in the Eastern U.S., which includes a number of geologic formations including Karst, was selected to test the modified ISWAT model. Parameter ESTimation (PEST) was coupled with ISWAT to auto‐calibrate the nonlinear parameter values. Ten years of record at 15 stream gauges were used to calibrate the model. The nonlinear ISWAT, statistically and visually, performed better in stream discharge estimation especially during baseflow recession and low‐flow periods. This indicated that the nonlinear algorithm can better represent groundwater behavior. The coupled ISWAT‐PEST approach can be used in future stream discharge simulation. Copyright © 2013 John Wiley & Sons, Ltd.
A Closure for 1‐Hamilton‐Connectedness in Claw‐Free Graphs
Authors: Ryjáček Zdeněk , Vrána Petr 
Published: May 2013

AbstractA graph G is 1‐Hamilton‐connected if is Hamilton‐connected for every vertex . In the article, we introduce a closure concept for 1‐Hamilton‐connectedness in claw‐free graphs. If is a (new) closure of a claw‐free graph G, then is 1‐Hamilton‐connected if and only if G is 1‐Hamilton‐connected, is the line graph of a multigraph, and for some , is the line graph of a multigraph with at most two triangles or at most one double edge. As applications, we prove that Thomassen's Conjecture (every 4‐connected line graph is hamiltonian) is equivalent to the statement that every 4‐connected claw‐free graph is 1‐Hamilton‐connected, and we present results showing that every 5‐connected claw‐free graph with minimum degree at least 6 is 1‐Hamilton‐connected and that every 4‐connected claw‐free and hourglass‐free graph is 1‐Hamilton‐connected.
MICROEFFECTS OF WOMEN'S EDUCATION ON CONTRACEPTIVE USE AND FERTILITY: THE CASE OF UGANDA
Authors: Buyinza Faisal , Hisali Eria 
Published: May 2013

AbstractThis article uses the Uganda Demographic and Health Survey (2006), which links an individual woman's fertility outcomes to her education level. Thus, in this study, an attempt has been made to investigate the relationships between women's education, contraceptive use, and fertility rates in Uganda. The findings indicate that women's education and social–economic factors are important in explaining reproductive behavior. Fertility findings show that higher education levels are consistently associated with lower fertility rates and positively associated with contraceptive use. The major implication of these results is that raising women's education improves their economic opportunities, and the behavioral responses in fertility will lead to the decline in population by reducing the willingness to engage in unprotected sex and subsequent fall in fertility. Copyright © 2013 John Wiley & Sons, Ltd.
Self‐Healing in Tough Graphene Oxide Composite Hydrogels
Authors: Liu Jiaqi , Song Guoshan , He Changcheng , Wang Huiliang 
Published: May 2013

AbstractPolymer hydrogels that are capable of spontaneously healing injury are being developed at a rapid pace because of their great potential in biomedical applications. Here, the self‐healing property of tough graphene nanocomposite hydrogels fabricated by using graphene peroxide as polyfunctional initiating and cross‐linking centers is reported. The hydrogels show excellent self‐healing ability at ambient temperature or even lower temperatures for a short time and very high recovery degrees (up to 88% tensile strength) can be achieved at a prolonged healing time. The healed gels exhibit very high tensile strengths (up to 0.35 MPa) and extremely high elongations (up to 4900%). The strong interactions between the polyacrylamide chains and the graphene oxide sheets are essential to the mechanical strengths of the healed gels.magnified image