bluuebunny/crossref_metadata_2025_split huggingface dataset:
Gas Purification from SO2 in Thermal Power Plants
Authors: Doichinova Maria , Popova‐Krumova Petya , Boyadjiev Christo , Boyadjiev Boyan 
Published: June 2014

AbstractSolid fuel combustion in thermal power plants, which use sulfur‐rich fuels, poses the problem of SO2 removal from waste gases. In addition, purification of huge amounts of gas with low SO2 concentration is necessary. A maximum absorption rate could decrease the size of required big apparatuses. Gas purification from low‐concentrated SO2 in physical and chemical absorption is analyzed theoretically. A convection‐diffusion type of models is applied for creating average concentration models and for quantitative description of the absorption processes. Theoretical analysis of methods and devices for waste gas purification from SO2 by CaCO3 suspension indicates that the process is practically physical absorption.
Tribenzotriquinacene Receptors for C60 Fullerene Rotors: Towards C3 Symmetrical Chiral Stators for Unidirectionally Operating Nanoratchets
Authors: Bredenkötter Björn , Grzywa Maciej , Alaghemandi Mohammad , Schmid Rochus , Herrebout Wouter , Bultinck Patrick , Volkmer Dirk 
Published: June 2014

AbstractThe synthesis of a stereochemically pure concave tribenzotriquinacene receptor (7) for C60 fullerene, possessing C3 point group symmetry, by threefold condensation of C2‐symmetric 1,2‐diketone synthons (5) and a hexaaminotribenzotriquinacene core (6) is described. The chiral diketone was synthesized in a five‐step reaction sequence starting from C2h‐symmetric 2,6‐di‐tert‐butylanthracene. The highly diastereo‐discriminating Diels–Alder reaction of 2,6‐di‐tert‐butylanthracene with fumaric acid di(−)menthyl ester, catalyzed by aluminium chloride, is the relevant stereochemistry introducing step. The structure of the fullerene receptor was verified by 1H and 13C NMR spectroscopy, mass spectrometry and single crystal X‐ray diffraction. VCD and ECD spectra were recorded, which were corroborated by ab initio DFT calculations, establishing the chiral nature of 7 with about 99.7 % ee, based on the ee (99.9 %) of the chiral synthon (1). The absolute configuration of 7 could thus be established as all‐S [(2S,7S,16S,21S,30S,35S)‐(7)]. Spectroscopic titration experiments reveal that the host forms 1:1 complexes with either pure fullerene (C60) or fullerene derivatives, such as rotor 1′‐(4‐nitrophenyl)‐3′‐(4‐N,N‐dimethylaminophenyl)‐pyrazolino[4′,5′:1,2][60]fullerene (R). The complex stability constants of the complexes dissolved in CHCl3/CS2 (1:1 vol. %) are K([C60⊂7])=319(±156) M−1 and K([R⊂7])=110(±50) M−1. With molecular dynamics simulations using a first‐principles parameterized force field the asymmetry of the rotational potential for [R⊂7] was shown, demonstrating the potential suitability of receptor 7 to act as a stator in a unidirectionally operating nanoratchet.
An Easy Route to Red Emitting Homoleptic IrIII Complex for Highly Efficient Solution‐Processed Phosphorescent Organic Light‐Emitting Diodes
Authors: Giridhar Thota , Han Tae‐Hee , Cho Woosum , Saravanan Chinnusamy , Lee Tae‐Woo , Jin Sung‐Ho 
Published: June 2014

AbstractA thiophene‐phenylquinoline‐based homoleptic IrIII complex, [Ir(Th‐PQ)3], has been synthesised by a simple route and utilised as a dopant in solution‐processed phosphorescent organic light‐emitting diodes (PhOLEDs). It shows the current efficiency of approximately 26 cd A−1 and the external quantum efficiency of about 21 %, which are the highest values reported to date for PhOLEDs prepared by solution‐process.
Pd‐Catalyzed Cycloisomerization of 4‐Aza‐1,6‐enynes to 3‐Aza‐bicyclo[4.1.0]hept‐2‐enes
Authors: Oh Hye Mi , Park Ji Eun , Kim Jisu , Kim Ju Hyun , Kang Youn K. , Chung Young Keun 
Published: June 2014

AbstractA method for the synthesis of bicyclo[4.1.0]heptenes from 1,6‐enynes through Pd‐catalyzed cycloisomerization has been developed. N‐ and O‐tethered 1,6‐enynes were successfully transformed to their corresponding 3‐aza‐ and 3‐oxabicyclo[4.1.0]heptenes in reasonable‐to‐high yields using the catalysts [PdCl2(CH3CN)2]/P(OPh)3 or [Pd(maleimidate)2(PPh3)2] in toluene. The computational calculations using density functional theory indicate that [PdCl2{P(OPh)3}] in the oxidation state PdII acts as the active catalyst species for the formation of 3‐azabicyclo[4.1.0]heptenes through 6‐endo‐dig cyclization.
Exploiting Molecular Self‐Assembly: From Urea‐Based Organocatalysts to Multifunctional Supramolecular Gels
Authors: Schön Eva‐Maria , Marqués‐López Eugenia , Herrera Raquel P. , Alemán Carlos , Díaz David Díaz 
Published: June 2014

AbstractWe describe the self‐assembly properties of chiral N,N′‐disubstituted urea‐based organocatalyst 1 that leads to the formation of hierarchical supramolecular gels in organic solvents at low concentrations. The major driving forces for the gelation are hydrogen bonding and π–π interactions according to FTIR and 1H NMR spectroscopy, as well as quantum‐mechanical studies. The gelation scope could be interpreted based on Kamlet–Taft solvatochromic parameters. TEM, SEM, and AFM imaging revealed that a variety of morphologies including helical, laths, porous, and lamellar nanostructures could be obtained by varying the solvent. Experimental gelation tests and computational structural analysis of various structurally related compounds proved the existence of a unique set of molecular interactions and an optimal hydrophilic/hydrophobic balance in 1 that drive the formation of stable gels. Responses to thermal, mechanical, optical, and chemical stimuli, as well as multifunctionality were demonstrated in some model gel materials. Specifically, 1 could be used for the phase‐selective gelation of organic solvent/water mixtures. The gel prepared in glycerol was found to be thixotropic and provided a sensitive colorimetric method for the detection of AgI ions at millimolar concentrations in aqueous solution. Moreover, the gel matrix obtained in toluene served as a nanoreactor for the Friedel–Crafts alkylation of 1H‐indole with trans‐β‐nitrostyrene.
Mechanistic Insight into the Electronic Influences Imposed by Substituent Variation in Polyazine‐Bridged Ruthenium(II)/Rhodium(III) Supramolecules
Authors: White Travis A. , Mallalieu Hannah E. , Wang Jing , Brewer Karen J. 
Published: June 2014

AbstractUnusual and unprecedented multipathway electrochemical mechanisms for a new class of supramolecular Ru/Rh bimetallic photocatalysts have been uncovered. The near isoenergetic Rh(dσ*) and bridging ligand(π*) molecular orbitals and a rate of halide loss that occurs on the cyclic voltammetry timescale provide a series of closely related complexes which display four different electrochemical mechanisms. A single complex displays two concurrent electrochemical pathways in marked contrast to all previously studied cis‐[Rh(NN)2X2] motifs.
Simulation of Coalescence, Breakup, and Mass Transfer in Polydisperse Multiphase Flows
Authors: Renze Peter , Buffo Antonio , Marchisio Daniele L. , Vanni Marco 
Published: June 2014

AbstractA two‐fluid model implemented in OpenFOAM is extended to account for the polydispersity of the disperse phase by coupling CFD with population balance models. The method is applied to predict the fluid dynamics and mass transfer in bubble columns. Here, the conditional quadrature method of moments is implemented in the open‐source code OpenFOAM for describing bubble coalescence, breakage, and mass transfer in two reference cases of rectangular bubble columns. The overall approach is accurate, efficient and robust, and therefore, suitable for the simulation of multiphase flows with industrial relevance.
Inversion of Oblique Ionograms Based on Hybrid Genetic Algorithm
Authors: Huan SONG , Yao‐Gai HU , Zheng‐YU ZHAO , Chun‐Hua JIANG 
Published: June 2014

AbstractThe oblique sounding is a powerful tool for acquiring ionospheric information, and we can get the structural parameters related to ionosphere by inversing the oblique ionogram. Genetic algorithm (GA) is a widely used inversion method which can reduce the non‐uniqueness of the inversion problems without depending on the initial estimation, but the accuracy and reliability of GA's inversion results may be decreased due to “premature convergence” and inferior local search ability. So an improved hybrid genetic algorithm (HGA) based on simulated annealing algorithm (SA) is proposed and firstly applied to inversion of oblique ionogram. HGA combines the advantages of GA and SA together and makes full use of them, so it has a strong global search ability and local search ability. To verify the reliability and stability of HGA's inversion results, we firstly use GA, SA, and HGA to inversion of the synthetic oblique ionogram and compare the inversion results of the three algorithms, find that HGA's results are nearest to the real values and its needed iterations are also much smaller than others. The inversion results include the critical frequency, the height of maximum electron density and half‐thickness. Then, comparing the influences on inversion results by changing the population size and the total iterations, we find that the HGA effectively reduces the influences. Lastly, we use the three algorithms to invert the real ionograms and compare the inversion results with the vertical data in the midpoint of transmitting and receiving site. The results show that the stability and the searching optimal solution ability of HGA are obviously better than the GA and SA, and its inversion results are reliable, so HGA has strong referential significance and practical value for the inversion of real ionograms.
Wedge‐Thrust Folding in the Micangshan Constrains from Low‐Temperature Thermochronology Model and Its Significance
Authors: Bin DENG , Shigeru SUEOKA , Shu‐Gen LIU , Zhi‐Wu LI , Jing‐Xi LI 
Published: June 2014

AbstractBasin‐mountain system comprises multistage‐evolving structures whose behavior is either controlled by internal factors, e.g., tectonic frameworks, or external ones, e.g., intensity of erosion and sedimentation, resulting in a coupling between structures and surface processes. Documenting the coupling has thus the potential to yield critical insights on the dynamics of the whole basin‐mountain system. The Micangshan located at the eastern margin of the Tibetan Plateau is an intracontinental mountain belt, which was shaped during multiple phases of intense mountain building and associated denudation throughout the Mesozoic and Cenozoic. However, the coupling between surface processes recorded by low‐temperature thermochronometer and mountain‐building has been controversial. Based on seismic profile, apatite fission track (AFT) data, a simplified one‐dimensional, tilted topography model resulted by wedge‐thrust folding across the Micangshan was developed. In the model, the paleo‐topography and paleo‐geothermal gradient immediately before initiation of the wedge‐thrust folding deformation can be estimated by using present sample elevations, the cooling ages and the closure‐temperature of each sample. By the coefficient of determination and suitable geological features (e.g., geothermal gradient), we can decipher the coupling/uncoupling relationship between the tectonic construction and the landscape evolution (e.g., a specific slope in topography). Our model shows that the inherited structure as a wedge‐thrust folding, played a predominant role during the Late‐Cretaceous uplift and exhumation in the Micangshan. It suggests a steady state, slow uplift and exhumation with rate of 0.03∼0.05 mm/a during Late Cretaceous time across much of the Micangshan, with a southern (or basin‐ward) ∼4° tilted topography.
Modelling of Thermal Effects of Igneous Intrusions on the Temperature Field and Organic Maturity in the Changchang Sag, Qiongdongnan Basin, South China Sea
Authors: Xiao‐Yin TANG , Gong‐Cheng ZHANG , Jian‐She LIANG , Shu‐Chun YANG , Song RAO , Sheng‐Biao HU 
Published: June 2014

AbstractThe latest seismic interpretation suggests the presence of several igneous intrusions in the Changchang sag, Qiongdongnan basin, South China Sea. A 2D geothermal modeling based on the finite element method (FEM) is performed to analyze the thermal effects of three intrusions of different scales distributed in the same seismic line. A quantitative evaluation is made on the organic maturity change for the Yacheng Formation caused by intrusions in artificial wells 2 km and 5 km away from each igneous body in combination with the acquired paleo‐geothermal field and the Easy%Ro model. The results indicate that the temperatures of igneous bodies dropped down rapidly during the first 1 Ma after the intrusion and lowered to the nearly same values as that of the wall rock after 10 Ma. The biggest intrusion caused a theoretical vitrinite reflectance (Ro) 1.6% higher than normal for the Yacheng Formation at the place 2 km away and only 0.4% higher for that 5 km distant.
A Method to Calculate the Ionospheric LBH Dayglow Emissions for Large Field of View
Authors: Yong‐Chao ZHANG , Fei HE , Xiao‐Xin ZHANG , Bo CHEN 
Published: June 2014

AbstractLBH dayglow emissions in the ionosphere, produced by the photoelectrons impact on the nitrogen molecules, are the most prominent molecular signals in the far ultraviolet range. Imaging the LBH dayglow emissions from the space can be a powerful method to monitor the state of the upper atmosphere. According to direct excitation theory and spherical geometry, the spectral characteristics of the LBH emission are analyzed and a revised method (RAURIC) to calculate the column emission rate of the LBH dayglow emissions for large field of view is given. Two main limitations of AURIC, that are the definition of the observation azimuth angle and the treating of the solar zenith angle as a constant along a line of sight, are improved in RAURIC. The column emission rates of the LBH bands in the range of 140∼180 nm are calculated with the method. Comparisons with results from AURIC show great agreement in nadir, while RAURIC should be used in other lines of light, especially for large field of view. This work provides a solid basis for simulating the image of ionospheric LBH dayglow emissions and the data inversion technique.
On continuous distribution functions, minimax and best invariant estimators, and integrated balanced loss functions
Authors: Jafari Jozani Mohammad , Leblanc Alexandre , Marchand Éric 
Published: June 2014

AbstractWe consider the problem of estimating a continuous distribution function F, as well as meaningful functions under a large class of loss functions. We obtain best invariant estimators and establish their minimaxity for Hölder continuous ’s and strict bowl‐shaped losses with a bounded derivative. We also introduce and motivate the use of integrated balanced loss functions which combine the criteria of an integrated distance between a decision d and , with the proximity of d from a target estimator . Moreover, we show how the risk analysis of procedures under such an integrated balanced loss relates to a dual risk analysis under an “unbalanced” loss, and we derive best invariant estimators, minimax estimators, risk comparisons, dominance and inadmissibility results. Finally, we expand on various illustrations and applications relative to maxima‐nomination sampling, median‐nomination sampling, and a case study related to bilirubin levels in the blood of babies suffering from jaundice. The Canadian Journal of Statistics 42: 470–486; 2014 © 2014 Statistical Society of Canada
Enhancing performance and energy consumption of runtime schedulers for dense linear algebra
Authors: Alonso Pedro , Dolz Manuel F. , Igual Francisco D. , Mayo Rafael , Quintana‐Ortí Enrique S. 
Published: June 2014

SUMMARYThe road towards Exascale Computing requires a holistic effort to address three different challenges simultaneously: high performance, energy efficiency, and programmability. The use of runtime task schedulers to orchestrate parallel executions with minimal developer intervention has been introduced in recent years to tackle the programmability issue while maintaining, or even improving, performance. In this paper, we enhance the SuperMatrix runtime task scheduler integrated in the libflame library in two different directions that address high performance and energy efficiency. First, we extend the runtime by accommodating hybrid parallel executions and managing task priorities for dense linear algebra operations, with remarkable performance improvements. Second, we introduce techniques to reduce energy consumption during idle times inherent to parallel executions, attaining important energy savings. In addition, we propose a power consumption model that can be leveraged by runtime task schedulers to make decisions based not only on performance but also on energy considerations. Copyright © 2014 John Wiley & Sons, Ltd.
A practical lottery using oblivious transfer
Authors: Liu Yi‐Ning , Cheng Chi , Jiang Tao , Chang Chin‐Chen 
Published: June 2014

SummaryIn this letter, a practice‐oriented lottery protocol that allows a player to select t from the pre‐defined n elements is proposed using the method of oblivious transfer and Lagrange interpolation polynomial. Each player can verify if its contribution is really involved in generating the final result without other's collaboration. Next, neither the delaying function nor the trusted third party is necessary in the proposed protocol, which guarantees the protocol more robust and efficient. Furthermore, the proposed protocol is more practical without the assumption that n should be small. Copyright © 2014 John Wiley & Sons, Ltd.
Genetic and environmental influences on thin‐ideal internalization across puberty and preadolescent, adolescent, and young adult development
Authors: Suisman Jessica L. , Thompson J. Kevin , Keel Pamela K. , Burt S. Alexandra , Neale Michael , Boker Steven , Sisk Cheryl , Klump Kelly L. 
Published: June 2014

ABSTRACTObjectiveMean‐levels of thin‐ideal internalization increase during adolescence and pubertal development, but it is unknown whether these phenotypic changes correspond to developmental changes in etiological (i.e., genetic and environmental) risk. Given the limited knowledge on risk for thin‐ideal internalization, research is needed to guide the identification of specific types of risk factors during critical developmental periods. The present twin study examined genetic and environmental influences on thin‐ideal internalization across adolescent and pubertal development.MethodParticipants were 1,064 female twins (ages 8–25 years) from the Michigan State University Twin Registry. Thin‐ideal internalization and pubertal development were assessed using self‐report questionnaires. Twin moderation models were used to examine if age and/or pubertal development moderate genetic and environmental influences on thin‐ideal internalization.ResultsPhenotypic analyses indicated significant increases in thin‐ideal internalization across age and pubertal development. Twin models suggested no significant differences in etiologic effects across development. Nonshared environmental influences were most important in the etiology of thin‐ideal internalization, with genetic, shared environmental, and nonshared environmental accounting for approximately 8%, 15%, and 72%, respectively, of the total variance.DiscussionDespite mean‐level increases in thin‐ideal internalization across development, the relative influence of genetic versus environmental risk did not differ significantly across age or pubertal groups. The majority of variance in thin‐ideal internalization was accounted for by environmental factors, suggesting that mean‐level increases in thin‐ideal internalization may reflect increases in the magnitude/strength of environmental risk across this period. Replication is needed, particularly with longitudinal designs that assess thin‐ideal internalization across key developmental phases. © 2014 Wiley Periodicals, Inc. (Int J Eat Disord 2014; 47:773–783)
Parental mental illness and eating disorders in offspring
Authors: Bould Helen , Koupil Ilona , Dalman Christina , DeStavola Bianca , Lewis Glyn , Magnusson Cecilia 
Published: June 2014

ABSTRACTObjectiveTo investigate which parental mental illnesses are associated with eating disorders in their offspring.MethodWe used data from a record‐linkage cohort study of 158,679 children aged 12–24 years at the end of follow‐up, resident in Stockholm County from 2001 to 2007, to investigate whether different parental mental illnesses are risk factors for eating disorders in their offspring. The outcome measure was diagnosis of any eating disorder, either from an ICD or DSM‐IV code, or inferred from an appointment at a specialist eating disorder clinic.ResultsMental illness in parents is a risk factor for eating disorders in female offspring (Adjusted Hazard Ratio (AHR) 1.57 (95% CI 1.42, 1.92), p < 0.0001). Risk of eating disorders is increased if there is a parental diagnosis of bipolar affective disorder (AHR 2.28 (95% CI 1.39, 3.72), p = 0.004), personality disorder (AHR 1.57 (95% CI 1.01, 2.44), p = 0.043) or anxiety/depression (AHR 1.57 (95% CI 1.32, 1.86), p < 0.0001). There is a lack of statistical evidence for an association with parental schizophrenia (AHR 1.41 (95% CI 0.96, 2.07), p = 0.08), and somatoform disorder (AHR 1.25 (95% CI 0.74, 2.13), p = 0.40). There is no support for a relationship between parental substance misuse and eating disorders in children (AHR 1.08 (95% CI 0.82, 1.43), p = 0.57).DiscussionParental mental illness, specifically parental anxiety, depression, bipolar affective disorder, and personality disorders, are risk factors for eating disorders in their offspring. © 2014 Wiley Periodicals, Inc. (Int J Eat Disord 2015; 48:383–391)
What does airborne LiDAR really measure in upland ecosystems?
Authors: Luscombe David J. , Anderson Karen , Gatis Naomi , Wetherelt Andrew , Grand‐Clement Emilie , Brazier Richard E. 
Published: June 2014

AbstractAirborne laser scanning systems (Light Detection And Ranging, LiDAR) are very well suited to the study of landscape and vegetation structure over large extents. Spatially distributed measurements describing the three‐dimensional character of landscape surfaces and vegetation architecture can be used to understand eco‐geomorphic and ecohydrological processes, and this is particularly pertinent in peatlands given the increasing recognition that these landscapes provide a variety of ecosystem services (water provision, flood mitigation and carbon sequestration). In using LiDAR data for monitoring peatlands, it is important to understand how well peatland surface structures (with fine length scales) can be described. Our approach integrates two laser scanning technologies, namely terrestrial laser scanning (TLS) and airborne LiDAR surveys, to assess how effective airborne LiDAR is at measuring these fine‐scale microtopographic ecohydrological structures. By combining airborne and TLS, we demonstrate an improved spatial understanding of the signal measured by the airborne LiDAR. Critically, results demonstrate that LiDAR digital surface models are subject to specific errors related to short‐sward ecosystem structure, causing the vegetation canopy height and surface‐drainage network depth to be underestimated. TLS is shown to be effective at describing these structures over small extents, allowing the information content and accuracy of airborne LiDAR to be understood and quantified more appropriately. These findings have important implications for the appropriate degree of confidence ecohydrologists can apply to such data when using them as a surrogate for field measurements. They also illustrate the need to couple LiDAR data with ground validation data in order to improve assessment of ecohydrological function in such landscapes. Copyright © 2014 John Wiley & Sons, Ltd.