bluuebunny/crossref_metadata_2025_split huggingface dataset:
Reversible Adaptation to Photoinduced Shape Switching by Oligomer–Macrocycle Interconversion with Component Selection in a Three‐State Constitutional Dynamic System
Authors: Vantomme Ghislaine , Lehn Jean‐Marie 
Published: October 2014

AbstractLight irradiation of the molecular photoswitch 1‐E causes isomerization into the 1‐Z configuration stabilized by an internal hydrogen bond. 1‐E bears aldehyde groups allowing for dynamic covalent reaction with linear diamines. On photoinduced E/Z shape switching of 1 in presence of diamines, the system undergoes interconversion between two states, a non‐cyclic oligomeric one and a macrocyclic one, corresponding respectively to the E and Z configurations of 1. With a mixture of linear α,ω‐diamines, 1‐E yields non‐selective dynamic oligomers by random incorporation of diamine components. Photoswitching to the 1‐Z form leads to constitutional adaptation with preferential formation of the macrocycle incorporating the best suited diamine, H2N(CH2)7NH2. In presence of metal cations, the E form switches from its unbound W shape to its coordinated U shape and yields the macrocycle resulting from the selective incorporation of the diamine H2NCH2CH2OCH2CH2NH2 that contains an additional O coordination site. Taken together, the results obtained describe constitutional adaptation in a triple state system: an oligomeric one and two different macrocyclic ones generated in response to two orthogonal agents, a physical stimulus, light, or a chemical effector, metal cations. These three states present, towards the incorporation of diamine components, respectively no selection, photoselection and metalloselection.
Effect of Central Metal Ions of Analogous Metal–Organic Frameworks on Adsorption of Organoarsenic Compounds from Water: Plausible Mechanism of Adsorption and Water Purification
Authors: Jun Jong Won , Tong Minman , Jung Beom K. , Hasan Zubair , Zhong Chongli , Jhung Sung Hwa 
Published: October 2014

AbstractThe adsorptive removal of organoarsenic compounds such as p‐arsanilic acid (ASA) and roxarsone (ROX) from water using metal–organic frameworks (MOFs) has been investigated for the first time. A MOF, iron benzenetricarboxylate (also called MIL‐100‐Fe) exhibits a much higher adsorption capacity for ASA and ROX than activated carbon, zeolite (HY), goethite, and other MOFs. The adsorption of ASA and ROX over MIL‐100‐Fe is also much more rapid than that over activated carbon. Moreover, the used MIL‐100‐Fe can be recycled by simply washing with acidic ethanol. Therefore, it is determined that a MOF such as MIL‐100‐Fe can be used to remove organoarsenic compounds from contaminated water because of its high adsorption capacity, rapid adsorption, and ready regeneration. Moreover, only one of three analogous MIL‐100 species (MIL‐100‐Fe, rather than MIL‐100‐Al or MIL‐100‐Cr) can effectively remove the organoarsenic compounds. This selective and high adsorption over MIL‐100‐Fe, different from other analogous MIL‐100 species, can be explained (through calculations) by the facile desorption of water from MIL‐100‐Fe as well as the large (absolute value) replacement energy (difference between the adsorption energies of the organoarsenic compounds and water) exhibited by MIL‐100‐Fe. A plausible adsorption/desorption mechanism is proposed based on the surface charge of the MOFs, FTIR results, calculations, and the reactivation results with respect to the solvents used in the experiments.
Modified Yield Power‐Law fluid flow in narrow annuli with inner rotating pipe
Authors: Ofei Titus Ntow , Irawan Sonny , Pao William , Osgouei Reza Ettehadi 
Published: October 2014

AbstractA proposed viscosity model for Yield Power‐Law fluid by Souza Mendes and Dutra (SMD), devoid of discontinuities at vanishing shear rate, is adopted in a 3D CFD simulation study. Radial distributions of axial, tangential, and coupled components of velocities are measured along concentric and eccentric narrow annuli. The flow is assumed to be fully‐developed, laminar, and steady state. Several parameters such as diameter ratios, eccentricities, and inner pipe angular speeds were varied to analyze their influence on the flow distributions and annular pressure losses. The simulated results of radial distributions of axial and tangential velocities show good agreement with experimental data and analytic solutions from previous studies. Annular flow instabilities in the form of Taylor vortices in the flow fields are briefly discussed. This study shows how reliable CFD simulations can replicate the actual, yet complex, oil and gas drilling operations.
Oil biogenesis and antioxidant compounds from “Arauco” olive (Olea europaea L.) cultivar during fruit development and ripening
Authors: Bodoira Romina , Torres Mariela , Pierantozzi Pierluigi , Taticchi Agnese , Servili Maurizio , Maestri Damián 
Published: October 2014

“Arauco” is the only olive (Olea europaea L.) cultivar recognized from Argentina in the World Catalogue of Olive Varieties. Drupes from this cultivar were handpicked at different stages of fruit development and ripening—referred to as days after full flowering (DAFF)—and analyzed to assess the oil accumulation pattern, and the dynamic of the changes in fatty acid, tocopherol, squalene, and phenolic compositions. The most intense oil accumulation period occurred approximately between 80 DAFF (pit hardening) and 150 DAFF (beginning of fruit maturation). Oleic acid content increased rapidly until reaching the maximum concentration (71.4%) approximately 80 DAFF, thus indicating that the most active biosynthesis period occurred at early fruit growth stages. Later, oleic acid content decreased gradually, almost linearly, to 62% at the final sampling point (215 DAFF). The dynamic of tocopherol accumulation showed a trend characterized by high amounts of the α‐ and γ‐isoforms in very young drupes, a pronounced decrease during fruit development, and little or no change during the fruit maturation period. The developing drupes were found to accumulate significant amounts of squalene (up to 12 500 mg/kg of dry weight at 96 DAFF), but squalene dropped strongly after the beginning of fruit ripening. Whatever the stage of fruit development, secoiridoids were the major phenolic components. On the basis of the evolution of the analytical parameters studied, the best stage for processing “Arauco” fruits for oil production seems to be that where maturity index is higher than 1 and lower than 2.Practical applications: The study focuses on biochemical aspects of oil biogenesis and minor antioxidant compounds from the cv. “Arauco” during fruit ontogeny. The results show that this cultivar has profitable characteristics for commercial production of VOO. From a practical standpoint, results also contribute to better assessment of harvest time. Findings remark on the convenience of harvesting early (at a low fruit maturity index) to get the best combination of oil quantity and quality.Mesocarp cells from cv. “Arauco” drupes (about 160 days after full flowering, DAFF) showing a single, spherical, large oil droplet per cell. Oil biogenesis is complete at very early stages of fruit maturity. Findings remark on the convenience of early harvest (at a low fruit maturity index) to get the best combination of oil quantity and quality.
Application of response surface methodology to optimize ultrasound‐assisted extraction of total antioxidants from Brassica napus cultivars
Authors: Szydłowska‐Czerniak Aleksandra , Tułodziecka Agnieszka 
Published: October 2014

Response surface methodology was used to evaluate the quantitative effects of two independent variables, namely solvent polarity and ratio of ultrasound power to sonication time, on the antioxidant capacity and total phenolics content (TPC) in two spring rapeseed cultivars: Feliks and Markus. The mean FRAP, DPPH, and TPC results ranged between 1082–5104 µmol Trolox (TE)/100 g and 1203–5528 µmol TE/100 g, 5373–17417 µmol TE/100 g and 3015–15 989 µmol TE/100 g, 252–1258 mg sinapic acid (SA)/100 g and 282–1292 mg SA/100 g for Feliks and Markus varieties, respectively. The quadratic effect of solvent polarity on FRAP, DPPH, and TPC in the examined extracts was about 11, 2, and 7 times greater, respectively, than the quadratic effect of ultrasound power to sonication time ratio. The predicted optimum solvent polarity = 56.8 and 55.6, and US power/US time = 4.0 and 4.2 W/min resulted in FRAP = 5143 µmol TE/100 g and 5503 µmol TE/100 g, DPPH = 16 623 µmol TE/100 g and 15 839 µmol TE/100 g, TPC = 1250 mg SA/100 g and 1259 mg SA/100 g in extracts obtained from Feliks and Markus cultivars, respectively.Practical applications: Bioactive compounds extracted from rapeseed varieties provide health benefits and have antioxidative properties. The application of ultrasound resulted in an increase in antioxidant extraction from rapeseed. Therefore, it seems worth while to consider the application of ultrasound in the fat industry for the production of rapeseed oils with a high content of antioxidants. The ultrasound‐assisted extraction of antioxidants from rapeseed would make it possible to improve technological processes and consequently reduce processing times and costs. Moreover, the analytical methods used, FRAP, DPPH, and Folin–Ciocalteu, do not require specialized equipment and can be employed by the fat industry laboratories to assess the antioxidant capacity and total phenolics in rapeseed cultivars.Response surface methodology was used to evaluate the quantitative effects of two independent variables, namely solvent polarity and ratio of ultrasound power to sonication time, on the antioxidant capacity and total phenolics content in two spring rapeseed cultivars. The application of ultrasound resulted in an increase of antioxidant extraction from rapeseed. The low‐cost ultrasonic technology can be employed by the oil processing industry for producing rapeseed oil with a high content of bioactive compounds.
Synthesis of 6‐Substituted Phenanthridine Derivatives by Palladium‐Catalysed Domino Suzuki–Miyaura/Aza‐Michael Reactions
Authors: Bao Xiaobo , Yao Wei , Zhu Qihua , Xu Yungen 
Published: October 2014

AbstractAn efficient method for the synthesis of 6‐substituted phenanthridine derivatives has been developed through a one‐pot process involving a sequence of palladium‐catalysed Suzuki–Miyaura reaction followed by intramolecular aza‐Michael addition. This method is applicable to the synthesis of a wide range of substituted phenanthridines from simple substrates.
Hybrid Physicochemical Synthesis and Electrochromic Performance of WO3/MoO3 Thin Films
Authors: Kharade Rohini R. , Mali S. S. , Mohite S. S. , Kondalkar V. V. , Patil P. S. , Bhosale P. N. 
Published: October 2014

AbstractMolybdenum oxide (MoO3) mixed tungsten oxide (WO3) thin films have been prepared by hybrid physico‐chemical synthesis involving microwave assisted sol‐gel synthesis (MW‐SGS) of WO3 followed by vacuum evaporation of MoO3 on fluorine doped tin oxide (FTO) coated glass substrates. The optostructural and morphological properties of WO3 thin films with different thickness of MoO3 layer were investigated and studied for enhanced electrochromic coloration. The electrochromic performance of these samples was studied in LiClO4/PC as electrolyte for Li+ insertion/extraction. Colorimetric analysis was done to define the colors in the bleached and colored states in terms of Lab* values and xy chromaticity diagram. Enhancement in electrochromic properties in terms of optical modulation (ΔOD), coloration efficiency (CE) and switching time (tb and tc) was studied and reported.
Oxyfuel combustion in rotary kiln lime production
Authors: Eriksson Matias , Hökfors Bodil , Backman Rainer 
Published: October 2014

AbstractThe purpose of this article is to study the impact of oxyfuel combustion applied to a rotary kiln producing lime. Aspects of interest are product quality, energy efficiency, stack gas composition, carbon dioxide emissions, and possible benefits related to carbon dioxide capture. The method used is based on multicomponent chemical equilibrium calculations to predict process conditions. A generic model of a rotary kiln for lime production was validated against operational data and literature. This predicting simulation tool is used to calculate chemical compositions for different recirculation cases. The results show that an oxyfuel process could produce a high‐quality lime product. The new process would operate at a lower specific energy consumption thus having also a reduced specific carbon dioxide emission per ton of product ratio. Through some processing, the stack gas from the new process could be suitable for carbon dioxide transport and storage or utilization. The main conclusion of this paper is that lime production with an oxyfuel process is feasible but still needs further study.
Discontinuous Galerkin methods on graphics processing units for nonlinear hyperbolic conservation laws
Authors: Fuhry Martin , Giuliani Andrew , Krivodonova Lilia 
Published: October 2014

SummaryWe present a novel implementation of the modal DG method for hyperbolic conservation laws in two dimensions on graphics processing units (GPUs) using NVIDIA's Compute Unified Device Architecture. Both flexible and highly accurate, DG methods accommodate parallel architectures well as their discontinuous nature produces element‐local approximations. High‐performance scientific computing suits GPUs well, as these powerful, massively parallel, cost‐effective devices have recently included support for double‐precision floating‐point numbers. Computed examples for Euler equations over unstructured triangle meshes demonstrate the effectiveness of our implementation on an NVIDIA GTX 580 device. Profiling of our method reveals performance comparable with an existing nodal DG‐GPU implementation for linear problems. Copyright © 2014 John Wiley & Sons, Ltd.
On‐Line PEMFC Control Using Parameterized Nonlinear Model‐Based Predictive Control
Authors: Damour C. , Benne M. , Kadjo J.‐J. A. , Deseure J. , Grondin‐Perez B. 
Published: October 2014

AbstractIn this work, a fast nonlinear model‐based predictive control (NMPC) strategy is designed and experimentally validated on‐line on a real fuel cell. Regarding NMPC strategies, the most challenging part remains to achieve on‐line implementation, especially when dealing with fast dynamic systems. As previously demonstrated in a recent work, the proposed control strategy is ideally suited to address this problem. Indeed, it is 30 times faster than classical NMPC controllers. This strategy relies on a specific parameterization of the control actions to reduce the computational time and achieve on‐line implementation. Due to its short computational time compared to mechanistic models, an artificial neural network model is designed and experimentally validated. This model is employed as internal model in the NMPC controller to predict the system behavior. To confirm the applicability and the relevance of the proposed NMPC controller varying control scenarios are investigated on a test bench. The built‐in controller is overridden and the NMPC controller is implemented externally and executed on‐line. Experimental results exhibit the outstanding tracking capability and robustness against model‐process mismatch of the proposed strategy. The parameterized NMPC controller turns out to be an excellent candidate for on‐line applications.
Choice of Weapon or Weapon of Choice? Examining the Interactions between Victim Characteristics in Single‐victim Male Sexual Homicide Offenders
Authors: Chan Heng Choon (Oliver) , Beauregard Eric 
Published: October 2014

AbstractAs most studies report that the majority of sexual homicide offenders (SHOs) prefer to kill with their own hands, research has largely neglected to examine the choice of weapon by these offenders. The US Supplementary Homicide Reports show that although a large number of SHOs murder their victim using personal weapons (e.g. bare hands and manual or ligature strangulation), the majority use an alternative weapon (e.g. edged weapons, contact weapons, and firearms). The present study hypothesises that the choice of weapon is in part influenced by victim characteristics. To identify specific combinations and interactions between victim characteristics and the choice of a personal or edged weapon during the commission of a sexual homicide, a combination of exhaustive chi‐square automatic interaction detector and conjunctive analysis is used on a sample of 2,472 single‐victim male SHOs from a 36‐year period of Supplementary Homicide Report data (1976–2011). Findings show that SHOs choose their weapon according to some victim characteristics. Implications of the findings are discussed in light of police suspect prioritisation. Copyright © 2014 John Wiley & Sons, Ltd.
Anthropogenic Disturbance and Environmental Associations with Fish Assemblage Structure in Two Nonwadeable Rivers
Authors: Parks T. P. , Quist M. C. , Pierce C. L. 
Published: October 2014

AbstractNonwadeable rivers are unique ecosystems that support high levels of aquatic biodiversity, yet they have been greatly altered by human activities. Although riverine fish assemblages have been studied in the past, we still have an incomplete understanding of how fish assemblages respond to both natural and anthropogenic influences in large rivers. The purpose of this study was to evaluate associations between fish assemblage structure and reach‐scale habitat, dam, and watershed land use characteristics. In the summers of 2011 and 2012, comprehensive fish and environmental data were collected from 33 reaches in the Iowa and Cedar rivers of eastern‐central Iowa. Canonical correspondence analysis (CCA) was used to evaluate environmental relationships with species relative abundance, functional trait abundance (e.g. catch rate of tolerant species), and functional trait composition (e.g. percentage of tolerant species). On the basis of partial CCAs, reach‐scale habitat, dam characteristics, and watershed land use features explained 25.0–81.1%, 6.2–25.1%, and 5.8–47.2% of fish assemblage variation, respectively. Although reach‐scale, dam, and land use factors contributed to overall assemblage structure, the majority of fish assemblage variation was constrained by reach‐scale habitat factors. Specifically, mean annual discharge was consistently selected in nine of the 11 CCA models and accounted for the majority of explained fish assemblage variance by reach‐scale habitat. This study provides important insight on the influence of anthropogenic disturbances across multiple spatial scales on fish assemblages in large river systems. Copyright © 2014 John Wiley & Sons, Ltd.
Headwater Streams of Florida: Types, Distribution and a Framework for Conservation
Authors: White W. R. , Crisman T. L. 
Published: October 2014

AbstractUsing geographic information system and topographic maps, 5829 headwater streams in Florida were surveyed for several parameters including elevation, stream length, flow regime and surrounding geology, and vegetation. Each was assigned to one of four headwater types: wetland, seep, lake, and spring. Wetland headwaters were the most common and widespread followed by seeps, many displaying temporary flow, while springs were perennial and least numerous. Four groups of Florida rivers were identified through cluster analysis of drainage densities (number headwaters/km of river length). Group 1 consisted of six rivers with lowest drainage densities (0.30–1.39 streams/km main channel). All were coastal rivers of peninsular Florida and, with one exception, drain to the Gulf of Mexico. Seven of eight rivers (group 2) with intermediate drainage densities (1.77–3.04 streams/km main channel) were located in peninsular Florida. Only three of 12 rivers comprising the two groups (groups 3 and 4) with greatest drainage densities (5.16–9.37 and 15.49–16.96 streams/km main channel) were not located in the Florida panhandle. Stream conservation efforts should focus on both highly complex dendritic river networks of the panhandle and on the 7000 km2 area in central Florida mostly lacking headwaters that may become a significant dispersal bottleneck for aquatic biota seeking refugia farther north from projected climate change. Copyright © 2014 John Wiley & Sons, Ltd.
Size‐Mediated Effects of Water‐Flow Velocity on Riverine Fish Species
Authors: Del Signore A. , Lenders H. J. R. , Hendriks A. J. , Vonk J. A. , Mulder C. , Leuven R. S. E. W. 
Published: October 2014

AbstractWe applied species sensitivity distributions (SSDs), commonly used in chemical risk assessment, to quantify the impact of water‐flow velocity on the presence of fish species in a river. SSDs for water‐flow velocity were derived from observational field data (maximal velocity at which species occur, Vmax) and laboratory measurements (critical swimming velocity, Vcrit). By calculating the potentially affected fraction of the fish species of the river Rhine, effects of water‐flow velocity on different life stages and guilds were estimated. Vmax values for adults were significantly higher than those for juveniles and larvae. At water‐flow velocity of 60 cm s−1, half of the adults were affected, while half of the non‐adult life stages were affected at velocities of 25 to 29 cm s−1. There was a positive correlation between body size and fish tolerance to water‐flow. As expected, rheophilic species tolerated higher water‐flow velocities than eurytopic and limnophilic species. Maximal velocities measured in littoral zones of the Rhine were, on average, 10 cm s−1, corresponding to an affected fraction of 2%. An increase in water‐flow velocity up to 120 cm s−1 as a result of passing vessels caused an increase in affected species to 75%. For a successful ecological river management, the SSD method can be used to quantify the trait‐mediated effects of water‐flow alterations on occurring species enabling to compare and rank the effects of chemical and physical stress. Copyright © 2014 John Wiley & Sons, Ltd.
Der Bahá’í‐Tempel für Südamerika in Santiago de Chile
Authors: Franke Armin , Knebel Klaus , Sendelbach Michael , Hariri Siamak 
Published: October 2014

AbstractDer “Tempel des Lichts” in Chile ist einer von acht Bahá’í‐Tempeln. Die weltweit verbreitete monotheistische Bahá’í‐Religion beruft sich auf die Schriften ihres Religionsstifters Bahá’u’lláh. Die ca. sieben Millionen Anhänger leben heute vor allem in Indien, dem Iran, Afrika, Nord‐ und Südamerika. Das Konzept aller Tempel sieht vor, dass sie zu einem spirituellen Zentrum werden, in dessen Umgebung sich soziale, humanitäre und Bildungseinrichtungen für die Bevölkerung befinden. Nach vielen Jahrzehnten Planungszeit wird dieses einzigartige Bauwerk nun in die Realität umgesetzt. Die Niederlassung Würzburg der Josef Gartner GmbH erhielt den Auftrag für die Planung, Fertigung und Montage der kompletten Struktur ab Oberkante Betondecke. Die Montage begann im Herbst 2013 und soll bis Mitte 2015 beendet sein.The Bahá’í Temple of South America in Santiago de Chile. The “temple of light” in Chile is one of eight Bahá’í temples. The worldwide monotheistic Bahá’í religion is based on the writings of its founder Bahá’u’lláh. About seven Million followers live today particularly in India, Iran, Africa as well as North‐ and South America. The concept of all temples presumes, that they become spiritual centres and that social, humanitarian and educational institutions for the general public are established in the vicinity. After many decades of planning this unique building is now being constructed. The Würzburg branch of Josef Gartner GmbH is in charge of planning, fabrication and erection of the complete superstructure. Erection began in autumn 2013 and shall be finalised by mid‐2015.