bluuebunny/crossref_metadata_2025 huggingface dataset:
Development, factor structure and application of the Dog Obesity Risk and Appetite (DORA) questionnaire
Authors: Raffan Eleanor , Smith Stephen P. , O’Rahilly Stephen , Wardle Jane
Published: September 2015

Background.Dogs are compelling models in which to study obesity since the condition shares many characteristics between humans and dogs. Differences in eating behaviour are recognised to contribute to obesity susceptibility in other species but this has not been systematically studied in dogs.

Aim.To develop and validate an owner-reported measure of canine eating behaviour and owner or dog related factors which can alter the development of obesity. Further, to then test variation in food-motivation in dogs and its association with obesity and owner management.

Methods.Owner interviews, a literature review and existing human appetite scales were used to identify relevant topics and generate items for the questionnaire. Following a pilot phase, a 75 item online questionnaire was distributed via social media. Responses from 302 dog/owner dyads were analysed and factor structure and descriptive statistics calculated. Results were compared with descriptions of dog behaviour and management from a subset of respondents during semi-structured interviews. The optimum questions were disseminated as a 34 item final questionnaire completed by 213 owners, with a subset of respondents repeating the questionnaire 3 weeks later to assess test–retest reliability.

Results.Analysis of responses to the final questionnaire relating to 213 dog/owner dyads showed a coherent factor structure and good test–retest reliability. There were three dog factors (food responsiveness and satiety, lack of selectivity, Interest in food), four owner factors (owner motivation to control dog weight, owner intervention to control dog weight, restriction of human food, exercise taken) and two dog health factors (signs of gastrointestinal disease, current poor health). Eating behaviour differed between individuals and between breed groups. High scores on dog factors (high food-motivation) and low scores on owner factors (less rigorous control of diet/exercise) were associated with obesity. Owners of more highly food-motivated dogs exerted more control over their dogs’ food intake than those of less food-motivated dogs.

Conclusions.The DORA questionnaire is a reliable and informative owner-reported measure of canine eating behaviour and health and management factors which can be associated with obesity development. The tool will be applicable to study of the canine obesity model and to clinical veterinarians. Results revealed eating behaviour to be similarly associated with obesity as exercise and owners giving titbits.
Biomedical literature classification using encyclopedic knowledge: a Wikipedia-based bag-of-concepts approach
Authors: Mouriño García Marcos Antonio , Pérez Rodríguez Roberto , Anido Rifón Luis E.
Published: September 2015

Automatic classification of text documents into a set of categories has a lot of applications. Among those applications, the automatic classification of biomedical literature stands out as an important application for automatic document classification strategies. Biomedical staff and researchers have to deal with a lot of literature in their daily activities, so it would be useful a system that allows for accessing to documents of interest in a simple and effective way; thus, it is necessary that these documents are sorted based on some criteria—that is to say, they have to be classified. Documents to classify are usually represented following the bag-of-words (BoW) paradigm. Features are words in the text—thus suffering from synonymy and polysemy—and their weights are just based on their frequency of occurrence. This paper presents an empirical study of the efficiency of a classifier that leverages encyclopedic background knowledge—concretely Wikipedia—in order to create bag-of-concepts (BoC) representations of documents, understanding concept as “unit of meaning”, and thus tackling synonymy and polysemy. Besides, the weighting of concepts is based on their semantic relevance in the text. For the evaluation of the proposal, empirical experiments have been conducted with one of the commonly used corpora for evaluating classification and retrieval of biomedical information, OHSUMED, and also with a purpose-built corpus of MEDLINE biomedical abstracts, UVigoMED. Results obtained show that the Wikipedia-based bag-of-concepts representation outperforms the classical bag-of-words representation up to 157% in the single-label classification problem and up to 100% in the multi-label problem for OHSUMED corpus, and up to 122% in the single-label classification problem and up to 155% in the multi-label problem for UVigoMED corpus.
Thalassemys bruntrutanan. sp., a new coastal marine turtle from the Late Jurassic of Porrentruy (Switzerland), and the paleobiogeography of the Thalassemydidae
Authors: Püntener Christian , Anquetin Jérémy , Billon-Bruyat Jean-Paul
Published: September 2015

Background.The Swiss Jura Mountains are a key region for Late Jurassic eucryptodiran turtles. Already in the mid 19th century, the Solothurn Turtle Limestone (Solothurn, NW Switzerland) yielded a great amount of Kimmeridgian turtles that are traditionally referred to Plesiochelyidae, Thalassemydidae, and Eurysternidae. In the past few years, fossils of these coastal marine turtles were also abundantly discovered in the Kimmeridgian of the Porrentruy region (NW Switzerland). These findings include numerous sub-complete shells, out of which we present two new specimens ofThalassemys(Thalassemydidae) in this study.

Methods.We compare the new material from Porrentruy to the type speciesTh. hugii, which is based on a well preserved specimen from the Solothurn Turtle Limestone (Solothurn, Switzerland). In order to improve our understanding of the paleogeographic distribution ofThalassemys, anatomical comparisons are extended toThalassemysremains from other European countries, notably Germany and England.

Results.While one of the twoThalassemysspecimens from Porrentruy can be attributed toTh. hugii, the other specimen represents a new species,Th. bruntrutanan. sp. It differs fromTh. hugiiby several features: more elongated nuchal that strongly thickens anterolaterally; wider vertebral scales; proportionally longer plastron; broader and less inclined xiphiplastron; wider angle between scapular process and acromion process. Our results show thatTh. hugiiandTh. bruntrutanaalso occur simultaneously in the Kimmeridgian of Solothurn as well as in the Kimmeridgian of England (Kimmeridge Clay). This study is an important step towards a better understanding of the paleobiogeographic distribution of Late Jurassic turtles in Europe.
Multimolecular tracers of terrestrial carbon transfer across the pan‐Arctic: 14C characteristics of sedimentary carbon components and their environmental controls
Authors: Feng Xiaojuan , Gustafsson Örjan , Holmes R. Max , Vonk Jorien E. , van Dongen Bart E. , Semiletov Igor P. , Dudarev Oleg V. , Yunker Mark B. , Macdonald Robie W. , Wacker Lukas , Montluçon Daniel B. , Eglinton Timothy I.
Published: September 2015

Distinguishing the sources, ages, and fate of various terrestrial organic carbon (OC) pools mobilized from heterogeneous Arctic landscapes is key to assessing climatic impacts on the fluvial release of carbon from permafrost. Through molecular 14C measurements, including novel analyses of suberin‐ and/or cutin‐derived diacids (DAs) and hydroxy fatty acids (FAs), we compared the radiocarbon characteristics of a comprehensive suite of terrestrial markers (including plant wax lipids, cutin, suberin, lignin, and hydroxy phenols) in the sedimentary particles from nine major arctic and subarctic rivers in order to establish a benchmark assessment of the mobilization patterns of terrestrial OC pools across the pan‐Arctic. Terrestrial lipids, including suberin‐derived longer‐chain DAs (C24,26,28), plant wax FAs (C24,26,28), and n‐alkanes (C27,29,31), incorporated significant inputs of aged carbon, presumably from deeper soil horizons. Mobilization and translocation of these “old” terrestrial carbon components was dependent on nonlinear processes associated with permafrost distributions. By contrast, shorter‐chain (C16,18) DAs and lignin phenols (as well as hydroxy phenols in rivers outside eastern Eurasian Arctic) were much more enriched in 14C, suggesting incorporation of relatively young carbon supplied by runoff processes from recent vegetation debris and surface layers. Furthermore, the radiocarbon content of terrestrial markers is heavily influenced by specific OC sources and degradation status. Overall, multitracer molecular 14C analysis sheds new light on the mobilization of terrestrial OC from arctic watersheds. Our findings of distinct ages for various terrestrial carbon components may aid in elucidating fate of different terrestrial OC pools in the face of increasing arctic permafrost thaw.
Tectonic slicing of subducting oceanic crust along plate interfaces: Numerical modeling
Authors: Ruh J. B. , Le Pourhiet L. , Agard Ph. , Burov E. , Gerya T.
Published: September 2015

Multikilometer‐sized slivers of high‐pressure low‐temperature metamorphic oceanic crust and mantle are observed in many mountain belts. These blueschist and eclogite units were detached from the descending plate during subduction. Large‐scale thermo‐mechanical numerical models based on finite difference marker‐in‐cell staggered grid technique are implemented to investigate slicing processes that lead to the detachment of oceanic slivers and their exhumation before the onset of the continental collision phase. In particular, we investigate the role of the serpentinized subcrustal slab mantle in the mechanisms of shallow and deep crustal slicing. Results show that spatially homogeneous serpentinization of the sub‐Moho slab mantle leads to complete accretion of oceanic crust within the accretionary wedge. Spatially discontinuous serpentinization of the slab mantle in form of unconnected patches can lead to shallow slicing of the oceanic crust below the accretionary wedge and to its deep slicing at mantle depths depending on the patch length, slab angle, convergence velocity and continental geothermal gradient. P‐T paths obtained in this study are compared to natural examples of shallow slicing of the Crescent Terrane below Vancouver Island and deeply sliced crust of the Lago Superiore and Saas‐Zermatt units in the Western Alps.
Hydrothermal response to a volcano‐tectonic earthquake swarm, Lassen, California
Authors: Ingebritsen S. E. , Shelly D. R. , Hsieh P. A. , Clor L. E. , Seward P. H. , Evans W. C.
Published: September 2015

The increasing capability of seismic, geodetic, and hydrothermal observation networks allows recognition of volcanic unrest that could previously have gone undetected, creating an imperative to diagnose and interpret unrest episodes. A November 2014 earthquake swarm near Lassen Volcanic National Park, California, which included the largest earthquake in the area in more than 60 years, was accompanied by a rarely observed outburst of hydrothermal fluids. Although the earthquake swarm likely reflects upward migration of endogenous H2O‐CO2 fluids in the source region, there is no evidence that such fluids emerged at the surface. Instead, shaking from the modest sized (moment magnitude 3.85) but proximal earthquake caused near‐vent permeability increases that triggered increased outflow of hydrothermal fluids already present and equilibrated in a local hydrothermal aquifer. Long‐term, multiparametric monitoring at Lassen and other well‐instrumented volcanoes enhances interpretation of unrest and can provide a basis for detailed physical modeling.
Quantifying sources and sinks of reactive gases in the lower atmosphere using airborne flux observations
Authors: Wolfe G. M. , Hanisco T. F. , Arkinson H. L. , Bui T. P. , Crounse J. D. , Dean‐Day J. , Goldstein A. , Guenther A. , Hall S. R. , Huey G. , Jacob D. J. , Karl T. , Kim P. S. , Liu X. , Marvin M. R. , Mikoviny T. , Misztal P. K. , Nguyen T. B. , Peischl J. , Pollack I. , Ryerson T. , St. Clair J. M. , Teng A. , Travis K. R. , Ullmann K. , Wennberg P. O. , Wisthaler A.
Published: September 2015

Atmospheric composition is governed by the interplay of emissions, chemistry, deposition, and transport. Substantial questions surround each of these processes, especially in forested environments with strong biogenic emissions. Utilizing aircraft observations acquired over a forest in the southeast U.S., we calculate eddy covariance fluxes for a suite of reactive gases and apply the synergistic information derived from this analysis to quantify emission and deposition fluxes, oxidant concentrations, aerosol uptake coefficients, and other key parameters. Evaluation of results against state‐of‐the‐science models and parameterizations provides insight into our current understanding of this system and frames future observational priorities. As a near‐direct measurement of fundamental process rates, airborne fluxes offer a new tool to improve biogenic and anthropogenic emissions inventories, photochemical mechanisms, and deposition parameterizations.
Magnetospheric vortices and their global effect after a solar wind dynamic pressure decrease
Authors: Zhao H. Y. , Shen X. C. , Tang B. B. , Tian A. M. , Shi Q. Q. , Weygand J. M. , Yao Z. H. , Zong Q.‐G. , Fu S. Y. , Yao S. T. , Xiao T. , Pu Z. Y.
Published: September 2015

Using multipoint data from three Time History of Events and Macroscale Interactions during Substorms (THEMIS) satellites, we report a magnetospheric flow vortex driven by a negative solar wind dynamic pressure pulse. The observed vortex rotated in a direction opposite to that associated with positive solar wind dynamic pressure pulses. The vortex was moving tailward, as confirmed by a global magnetohydrodynamics (MHD) simulation. In addition, the equivalent ionospheric currents (EICs) deduced from ground magnetometer station data reveal that a current vortex in the ionosphere near the foot point of the satellites has a rotation sense consistent with that observed in the magnetosphere. The field‐aligned current (FAC) density estimated from three THEMIS satellites is about 0.15 nA/m2, and the total FAC of the vortex is about 1.5–3 × 105 A, on the order of the total FAC in a pseudobreakup, but less than the total FAC in most moderate substorms, 106 A.
A system‐size independent validation of CFD‐DEM for noncohesive particles
Authors: LaMarche Casey Q. , Liu Peiyuan , Kellogg Kevin M. , Weimer Alan W. , Hrenya Christine M.
Published: September 2015

Significance

For the first time, CFD‐DEM simulations of small‐scale fluidized beds are quantitatively validated against large‐scale experiments. Such validation is possible via the identification of a measurement independent of system size, namely defluidization. CFD‐DEM inputs (particle properties and operating conditions) are measured directly. Sphericity is found to be critical, even for highly spherical particles. This size‐independent method of validation is valuable since it allows for validation of CFD‐DEM models without restrictions on system sizes or particle sizes. © 2015 American Institute of Chemical Engineers AIChE J, 61: 4051–4058, 2015
π‐Conjugated Microporous Polymer Films: Designed Synthesis, Conducting Properties, and Photoenergy Conversions
Authors: Gu Cheng , Huang Ning , Chen Youchun , Qin Leiqiang , Xu Hong , Zhang Shitong , Li Fenghong , Ma Yuguang , Jiang Donglin
Published: September 2015

Conjugated microporous polymers are a unique class of polymers that combine extended π‐conjugation with inherent porosity. However, these polymers are synthesized through solution‐phase reactions to yield insoluble and unprocessable solids, which preclude not only the evaluation of their conducting properties but also the fabrication of thin films for device implementation. Here, we report a strategy for the synthesis of thin films of π‐conjugated microporous polymers by designing thiophene‐based electropolymerization at the solution–electrode interface. High‐quality films are prepared on a large area of various electrodes, the film thickness is controllable, and the films are used for device fabrication. These films are outstanding hole conductors and, upon incorporation of fullerenes into the pores, function as highly efficient photoactive layers for energy conversions. Our film strategy may boost the applications in photocatalysis, energy storage, and optoelectronics.
Sorption of propylene and propane in polyurethane membranes containing silver nanoparticles
Authors: Rezende Carolina Guedes Fioravante , Borges Cristiano Piacsek , Habert Alberto Claudio
Published: September 2015

The preparation of a facilitated transport membrane of polyurethane (PU) containing silver nanoparticles is reported. The propylene and propane sorption was investigated aiming at the selective separation from C3s mixtures. The silver particles were photogenerated in situ into the polyurethane matrix using UV light radiation and silver triflate (AgCF3SO3) as precursor. The morphological properties of these membranes (PUAg) reveled great dispersion of silver particles, which size was smaller than 110 nm. The propylene solubility in PUAg resulted more than four times superior to the one for the pure PU membrane, revealing the high affinity between silver and propylene. Flory–Huggins theory was more accurate to describe the propylene sorption behavior in PUAg than Henry's model. The ideal solubility selectivity of PUAg membrane resulted 24.4, indicating that there is a good potential for an industrial application aiming at the separation of propylene/propane. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 42916.
A Simple Method for the Preparation of TiO2/Ag‐AgCl@Polypyrrole Composite and Its Enhanced Visible‐Light Photocatalytic Activity
Authors: Yao Tongjie , Shi Lei , Wang Hao , Wang Fangxiao , Wu Jie , Zhang Xiao , Sun Jianmin , Cui Tieyu
Published: September 2015

A novel and facile method was developed to prepare a visible‐light driven TiO2/Ag‐AgCl@polypyrrole (PPy) photocatalyst with Ag‐AgCl nanoparticles supported on TiO2 nanofibers and covered by a thin PPy shell. During the synthesis, the PPy shell and Ag‐AgCl nanoparticles were prepared simultaneously onto TiO2 nanofibers, which simplified the preparation procedure. In addition, because Ag‐AgCl aggregates were fabricated via partly etching the Ag nanoparticles, their size was well controlled at the nanoscale, which was beneficial for improvement of the contact surface area. Compared with reference photocatalysts, the TiO2/Ag‐AgCl@PPy composite exhibited an enhanced photodegradation activity towards rhodamine B under visible‐light irradiation. The superior photocatalytic property originated from synergistic effects between TiO2 nanofibers, Ag‐AgCl nanoparticles and the PPy shell. Furthermore, the TiO2/Ag‐AgCl@PPy composite could be easily separated and recycled without obvious reduction in activity.
Bayesian spatiotemporal analysis of zero‐inflated biological population density data by a delta‐normal spatiotemporal additive model
Authors: Arcuti Simona , Pollice Alessio , Ribecco Nunziata , D'Onghia Gianfranco
Published: September 2015

We evaluate the spatiotemporal changes in the density of a particular species of crustacean known as deep‐water rose shrimp, Parapenaeus longirostris, based on biological sample data collected during trawl surveys carried out from 1995 to 2006 as part of the international project MEDITS (MEDiterranean International Trawl Surveys). As is the case for many biological variables, density data are continuous and characterized by unusually large amounts of zeros, accompanied by a skewed distribution of the remaining values. Here we analyze the normalized density data by a Bayesian delta‐normal semiparametric additive model including the effects of covariates, using penalized regression with low‐rank thin‐plate splines for nonlinear spatial and temporal effects. Modeling the zero and nonzero values by two joint processes, as we propose in this work, allows to obtain great flexibility and easily handling of complex likelihood functions, avoiding inaccurate statistical inferences due to misclassification of the high proportion of exact zeros in the model. Bayesian model estimation is obtained by Markov chain Monte Carlo simulations, suitably specifying the complex likelihood function of the zero‐inflated density data. The study highlights relevant nonlinear spatial and temporal effects and the influence of the annual Mediterranean oscillations index and of the sea surface temperature on the distribution of the deep‐water rose shrimp density.
Increasing Single‐Word Requests to Multiword Requests in Children with Autism and Related Disabilities
Authors: Yosick Rachel N. , Muskat Lori R. , Bowen Crystal N. , Delfs Caitlin H. , Alice Shillingsburg M.
Published: September 2015

Initial language training with children with autism often focuses on the production of single‐word requests (i.e., mands). As a child progresses in treatment, it is desirable to increase the mean length of utterance (MLU) of requests. The present study examined treatment outcomes of behavioral intervention designed to increase the MLU of requests in a larger sample of children with language delays (n = 30). Intervention consisted of prompts and differential reinforcement for lengthier requests, and trials were conducted flexibly throughout the treatment session. A non‐concurrent multiple baseline across participants design was utilized to establish experimental control, and MLU intervention consisted of a baseline and treatment phase for each participant. Nonoverlap of all pairs (NAP) was employed to estimate an effect size. Overall treatment effects were medium to large (average NAP = 0.89; average d = 2.36), and the majority of the sample (70%) demonstrated strong treatment effects. Results suggest that targeted behavioral intervention to increase the length of requests can be effective for children with autism and associated language delays. Copyright © 2015 John Wiley & Sons, Ltd.
Characteristics and role of dynamic membrane layer in anaerobic membrane bioreactors
Authors: Ersahin Mustafa Evren , Tao Yu , Ozgun Hale , Spanjers Henri , van Lier Jules B.
Published: September 2015

A submerged anaerobic dynamic membrane bioreactor (AnDMBR) was operated for treatment of concentrated wastewater. The dynamic membrane (DM) or cake layer was characterized on its physicochemical and biological composition and the role of the DM layer in treatment and filtration performances was assessed. The results showed that the DM layer had an important role in organic matter removal. Both organic and inorganic materials, such as sludge particles, soluble microbial products (SMP), extracellular polymeric substances (EPS), and Ca, N, P, Mg precipitations contributed to the DM layer formation. Thus, effective retention of very small particles by the DM layer was achieved. The DM layer had higher microbial diversity and different microbial population composition in comparison to the bulk sludge. Overall, this study provided a better understanding about the DM layer structure in AnDMBRs, which might lead to increased applicability of this promising technology for the treatment of concentrated wastewaters. Biotechnol. Bioeng. 2016;113: 761–771. © 2015 Wiley Periodicals, Inc.
Computational Designing of Triphenylamine Dyes with Broad and Red‐shifted Absorption Spectra for Dye‐sensitized Solar Cells using Multi‐Thiophene Rings in π‐Spacer
Authors: Mahmood Asif , HussainTahir Mudassir , Irfan Ahmad , Khalid Bilal , Al‐Sehemi Abdullah G.
Published: September 2015

In this paper, we present the design of five new derivatives of triphenylamine dyes with variable thiophene rings (0–5) and shed light on their electrooptical and charge‐injection properties. Computational techniques are used to study the effect of the thiophene moieties on the properties of interest, i.e., how the number of thiophene rings in π‐conjugated systems influence the absorption spectra and electron injection of the dyes. The results show that the absorption spectra gradually became broad and red‐shifted (384–542 nm) with the number of thiophene units. The effect of thiophene units on the performance of sensitizers in dye‐sensitized solar cells is also determined. During theoretical examination, the electron injection efficiency (Φinject) and light harvesting efficiency (LHE) are determined. Results indicate that the selection of appropriate lengths of conjugated bridges in the dye sensitizer is very important in designing high‐efficiency dyes.
Synthesis of Ni/Graphene Nanosheets via Electron Beam Irradiation and Their Enhanced Electrochemical Hydrogen Storage Properties
Authors: Min Young‐Je , Lee Won‐Jae , Gwak Gyeong‐Hyeon , Paek Seung‐Min , Oh Jae‐Min
Published: September 2015

A nanostructured Ni(OH)2/graphene oxide (GO) hybrid was fabricated via the controlled reassembly of exfoliated GO with nickel hydroxide to form a delaminated structure. To examine the effect of electron beam irradiation on the hybrid material, the obtained Ni(OH)2/GO was exposed to the electron beam, and the total doses of the electron beam were varied from 150 to 250 kGy. The electron‐beam‐irradiated hybrid was reduced to fabricate a new nanostructured material in which nickel nanoparticles were homogeneously deposited onto the graphene nanosheets (GNS). According to the transmission electron microscopy analysis, a large number of defect sites could be developed after the electron beam treatments. The electrochemical hydrogen storage property (approximately 170 mAh/g) of the hybrid sample after the electron beam treatment was determined to be much superior to that of the GNS (approximately 20 mAh/g), demonstrating that this synthetic methodology via electron beam bombardment could be extended to the development of new nanostructured materials with enhanced hydrogen storage properties.
Hydrocarbon Incorporation Effect on the Electrical Properties of Low Dielectric Constant SiCOH Films Deposited with Tetrakis(trimethylsilyloxy)silane and Cyclohexane Precursors
Authors: Kim Hoonbae , Kang Wontak , Seo Hyun‐Jin , Jung Donggeun , Boo Jin‐Hyo
Published: September 2015

SiCOH films containing hydrocarbon porogens were prepared using a plasma enhanced chemical vapor deposition system. Their chemical and electrical properties were characterized with various hydrocarbon incorporations. The hydrocarbon incorporation of SiCOH films was estimated using Fourier transform infrared absorption spectra by calculating the peak ratio of hydrocarbon related peaks and Si–O peaks. Thereafter, changes seen in current–voltage (I–V) curves were explained by defect states in the interface of films related with the variation of hydrocarbon incorporation by deposition and/or by postdeposition annealing.
Terrein reduces age‐related inflammation induced by oxidative stress through Nrf2/ERK1/2/HO‐1 signalling in aged HDF cells
Authors: Lee Young‐Hee , Lee Sook‐Jeong , Jung Ji‐Eun , Kim Jeong‐Seok , Lee Nan‐Hee , Yi Ho‐Keun
Published: September 2015

This study investigated whether multiple bioactivity of terrein such as anti‐inflammatory and anti‐oxidant inhibits age‐related inflammation by promoting an antioxidant response in aged human diploid fibroblast (HDF) cells. HDF cells were cultured serially for in vitro replicative senescence. To create the ageing cell phenotype, intermediate stage (PD31) HDF cells were brought to stress‐induced premature senescence (SIPS) using hydrogen peroxide (H2O2). Terrein increased cell viability even with H2O2 stress and reduced inflammatory molecules such as intracellular adhesion molecule‐1 (ICAM‐1), cyclooxygenase‐2 (COX‐2), interleukin‐1beta (IL‐1β) and tumour necrosis factor‐alpha (TNF‐α). Terrein reduced also phospho‐extracellular kinase receptor1/2 (p‐EKR1/2) signalling in aged HDF cells. SIPS cells were attenuated for age‐related biological markers including reactive oxygen species (ROS), senescence associated beta‐galactosidase (SA β‐gal.) and the aforementioned inflammatory molecules. Terrein induced the induction of anti‐oxidant molecules, copper/zinc‐superoxide defence (Cu/ZnSOD), manganese superoxide dismutase (MnSOD) and heme oxygenase‐1 (HO‐1) in SIPS cells. Terrein also alleviated reactive oxygen species formation through the Nrf2/HO‐1/p‐ERK1/2 pathway in aged cells. The results indicate that terrein has an alleviative function of age‐related inflammation characterized as an anti‐oxidant. Terrein might be a useful nutraceutical compound for anti‐ageing. Copyright © 2015 John Wiley & Sons, Ltd.
Influence of Bubble‐Surface Contamination on Instantaneous Mass Transfer
Authors: Huang Jie , Saito Takayuki
Published: September 2015

The relationship between instantaneous mass transfer, bubble motions, and bubble‐induced surrounding liquid motions is discussed on the basis of precise measurements in time and space. The influence of bubble‐surface contamination on the above is considered quantitatively through comparison with those in a purified system. The bubble's surface motion, centroid motion, volume, and surface area were acquired precisely from moment to moment using two high‐speed cameras and an own innovative image processing method. The dissolution process of CO2 was visualized via the laser‐induced fluorescence/8‐hydroxypyrene‐1,3,6‐trisulfonic acid (LIF/HPTS) method. Combining these experimental results carefully, the effects of the surfactant on the mass transfer, bubble motions, and vortex mechanism are discussed.
Interpenetration of a 3D Icosahedral M@Ni12 (M=Al, Ga) Framework with Porphyrin‐Reminiscent Boron Layers in MNi9B8
Authors: Zheng Qiang , Wagner Frank R. , Ormeci Alim , Prots Yurii , Burkhardt Ulrich , Schmidt Marcus , Schnelle Walter , Grin Yuri , Leithe‐Jasper Andreas
Published: September 2015

Two ternary borides MNi9B8 (M=Al, Ga) were synthesized by thermal treatment of mixtures of the elements. Single‐crystal X‐ray diffraction data reveal AlNi9B8 and GaNi9B8 crystallizing in a new type of structure within the space group Cmcm and the lattice parameters a=7.0896(3) Å, b=8.1181(3) Å, c=10.6497(4) Å and a=7.0897(5) Å, b=8.1579(4) Å, c=10.6648(7) Å, respectively. The boron atoms build up two‐dimensional layers, which consist of puckered [B16] rings with two tailing B atoms, whereas the M atoms reside in distorted vertices‐condensed [Ni12] icosahedra, which form a three‐dimensional framework interpenetrated by boron porphyrin‐reminiscent layers. An unusual local arrangement resembling a giant metallo‐porphyrin entity is formed by the [B16] rings, which, due to their large annular size of approximately 8 Å, chelate four of the twelve icosahedral Ni atoms. An analysis of the chemical bonding by means of the electron localizability approach reveals strong covalent BB interactions and weak NiNi interactions. Multi‐center dative BNi interaction occurs between the Al–Ni framework and the boron layers. In agreement with the chemical bonding analysis and band structure calculations, AlNi9B8 is a Pauli‐paramagnetic metal.
Deciphering the Mechanism Involved in the Switch On/Off of Molecular Pistons
Authors: Liu Peng , Shao Xueguang , Cai Wensheng
Published: September 2015

Manufacturing machines converting energy to mechanical work at the molecular level is a vital pathway to explore the microscopic world. A kind of operable molecular engines, composed of β‐cyclodextrin (β‐CD), aryl, alkene and amide moiety was investigated using molecular dynamics simulations combined with free‐energy calculations. To understand how the integrated alkene double bond controls the work performed on the engines, two alkene isomers of the prototype were considered as two molecular engines. The free‐energy profiles delineating the binding process of the amide (Z)‐ and (E)‐isomers for each alkene isomer with 1‐adamantanol indicate that for the alkene (E)‐isomer, the apparent work performed on the amide bond is 1.6 kcal/mol, while the alkene (Z)‐isomer is incapable to perform work. Direct switch on/off of engines caused by the isomerization of the alkene bond was, therefore, witnessed, in line with experimental measurements. Decomposition of the free‐energy profile into different components and structural analyses suggest that the isomerization of the alkene bond controls the position of the aryl unit relative to the cavity of the CD, resulting in the difference among the free‐energy profiles and the stark contrast of the work performed on engines.
First Synthesis and Characterization of Stereoisomers of Choleretic Drug Dihydroxydibutylether
Authors: Yue Qiming , Zhao Yi , Sun Baohou , Hai Li , Guo Li , Wu Yong
Published: September 2015

Dihydroxydibutylether (DHBE) is a choleretic drug used for the treatment of gallstone and hepatic disorders due to its choleretic activity and hepatoprotective action. The drug is a mixture of three regioisomers. The main regioisomer 3‐(3‐hydroxylbutoxy)‐1‐butanol (III) contains four stereoisomers, including (R)‐3‐((R)‐3‐hydroxylbutoxy)‐1‐butanol (IIIa), (R)‐3‐((S)‐3‐hydroxylbutoxy)‐1‐butanol (IIIb), (S)‐3‐((R)‐3‐hydroxylbutoxy)‐1‐butanol (IIIc) and (S)‐3‐((S)‐3‐hydroxylbutoxy)‐1‐butanol (IIId). In this paper, the four stereoisomers are synthesized separately for the first time.
First Total Synthesis of (±)‐Latifolin and Its Antioxidant Mechanism
Authors: Dai Yihua , Liu Qiaoling , Li Zhifang , Chen Weifeng , Liu Zhongli
Published: September 2015

The first total synthesis of (±)‐latifolin has been accomplished in six steps and 47.8% overall yield. To understand the relative importance of phenolic OH and benzhydryl CH hydrogen on the antioxidant activity of latifolin, 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH) radical scavenging assay and density functional theory (DFT) studies were carried out. On scavenging DPPH radical in ethanol, the activity of latifolin (1) bearing phenolic hydrogen is remarkably higher than analogue 10 bearing no phenolic hydrogen. Therefore, Phenolic hydrogen is responsible for latifolin's antioxidant activity rather than benzhydryl CH hydrogen. Furthermore, the 5‐OH BDE is lower than 2′‐OH and 7‐CH BDEs by a DFT calculation, respectively. Based on theoretical results it is definitely concluded that the phenolic 5‐OH plays a major role in the antioxidant activity of latifolin.
Bayesian transformation family selection: Moving toward a transformed Gaussian universe
Authors: Charitidou Efstratia , Fouskakis Dimitris , Ntzoufras Ioannis
Published: September 2015

The problem of transformation selection is thoroughly treated from a Bayesian perspective. Several families of transformations are considered with a view to achieving normality: theBox–Cox, theModulus, theYeo & Johnson, and theDualtransformation. Markov chain Monte Carlo algorithms have been constructed in order to sample from the posterior distribution of the transformation parameterassociated with each competing familyT. We investigate different approaches to constructing compatible prior distributions forover alternative transformation families. Selection and discrimination between different transformation families are attained via posterior model probabilities. Although there is no choice of transformation family that can be universally applied to all problems, empirical evidence suggests that some particular data structures are best treated by specific transformation families. For example, skewness is associated with the Box–Cox family while fat‐tailed distributions are efficiently treated using the Modulus transformation.The Canadian Journal of Statistics43: 600–623; 2015 © 2015 Statistical Society of Canada
Schistosomiasis: Clinical management of liver disease
Authors: Guimarães Cavalcanti Marta , Marcello de Araujo‐Neto João , Mauro Peralta José
Published: September 2015

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Edge sharpness assessment by parametric modeling: Application to magnetic resonance imaging
Authors: Ahmad Rizwan , Ding Yu , Simonetti Orlando P.
Published: September 2015

In biomedical imaging, edge sharpness is an important yet often overlooked image quality metric. In this work, a semi‐automatic method to quantify edge sharpness is presented with application to magnetic resonance imaging (MRI). The method is based on parametric modeling of image edges. First, an edge map is automatically generated and one or more edges‐of‐interest (EOI) are manually selected using graphical user interface. Multiple exclusion criteria are then enforced to eliminate edge pixels that are potentially not suitable for sharpness assessment. Second, at each pixel of the EOI, an image intensity profile is read along a small line segment that runs locally normal to the EOI. Third, the profiles corresponding to all EOI pixels are individually fitted with a sigmoid function characterized by four parameters, including one that represents edge sharpness. Last, the distribution of the sharpness parameter is used to quantify edge sharpness. For validation, the method is applied to simulated data as well as MRI data from both phantom imaging and cine imaging experiments. This method allows for fast, quantitative evaluation of edge sharpness even in images with poor signal‐to‐noise ratio. Although the utility of this method is demonstrated for MRI, it can be adapted for other medical imaging applications. © 2015 Wiley Periodicals, Inc. Concepts Magn Reson Part A 44A: 138–149, 2015.
Mirror Symmetry Breaking by Chirality Synchronisation in Liquids and Liquid Crystals of Achiral Molecules
Authors: Tschierske Carsten , Ungar Goran
Published: September 2015

Spontaneous mirror symmetry breaking is an efficient way to obtain homogeneously chiral agents, pharmaceutical ingredients and materials. It is also in the focus of the discussion around the emergence of uniform chirality in biological systems. Tremendous progress has been made by symmetry breaking during crystallisation from supercooled melts or supersaturates solutions and by self‐assembly on solid surfaces and in other highly ordered structures. However, recent observations of spontaneous mirror symmetry breaking in liquids and liquid crystals indicate that it is not limited to the well‐ordered solid state. Herein, progress in the understanding of a new dynamic mode of symmetry breaking, based on chirality synchronisation of transiently chiral molecules in isotropic liquids and in bicontinuous cubic, columnar, smectic and nematic liquid crystalline phases is discussed. This process leads to spontaneous deracemisation in the liquid state under thermodynamic control, giving rise to long‐term stable symmetry‐broken fluids, even at high temperatures. These fluids form conglomerates that are capable of extraordinary strong chirality amplification, eventually leading to homochirality and providing a new view on the discussion of emergence of uniform chirality in prebiotic systems.
Ultrafast Heme Dynamics of Ferric Cytochrome c in Different Environments: Electronic, Vibrational, and Conformational Relaxation
Authors: Karunakaran Venugopal
Published: September 2015

The excited‐state dynamics of ferric cytochrome c (Cyt c), an important electron‐transfer heme protein, in acidic to alkaline medium and in its unfolded form are investigated by using femtosecond pump–probe spectroscopy, exciting the heme and Tryptophan (Trp) to understand the electronic, vibrational, and conformational relaxation of the heme. At 390 nm excitation, the electronic relaxation of heme is found to be ≈150 fs at different pH values, increasing to 480 fs in the unfolded form. Multistep vibrational relaxation dynamics of the heme, including fast and slow processes, are observed at pH 7. However, in the unfolded form and at pH 2 and 11, fast phases of vibrational relaxation dominate, revealing the energy dissipation occurring through the covalent bond interaction between the heme and the nearest amino acids. A significant shortening of the excited‐state lifetime of Trp is observed at various pH values at 280 nm excitation due to resonance energy transfer to the heme. The longer time constant (25 ps) observed in the unfolded form is attributed to a complete global conformational relaxation of Cyt c.
Optimization of Operating Parameters of Plasma Antenna
Authors: Soltani Gishini M. S. , Ganjovi A. , Taraz M. , Saeed M.
Published: September 2015

In this work, the operating parameters of the plasma antenna are optimized using a kinetic model based on Particle in Cell‐Monte Carlo Collisions (PIC‐MCC) method. This optimization study is performed via the investigation of variations in the operating parameters of the plasma antenna, i. e., its dimensions, background gas pressure, and the applied voltage frequency and their consequent effects on the plasma frequency, kinetic energy of electrons and plasma current density of plasma antenna. While the antenna performance is improved at higher tube lengths and applied frequencies, it is optimized at a particular tube radius. Moreover, higher background pressures have increasing effects on the plasma antenna operation. Based on this parametric study, the optimum operating parameters of the plasma antenna are established. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Generation and flow cytometric quality control of clinical‐scale TCRαβ/CD19‐depleted grafts
Authors: Bremm Melanie , Cappel Claudia , Erben Stephanie , Jarisch Andrea , Schumm Michael , Arendt Andreas , Bonig Halvard , Klingebiel Thomas , Koehl Ulrike , Bader Peter , Huenecke Sabine
Published: September 2015

Background

The depletion of TCRαβ+ T cells and CD19+ B cells is a graft purification method for haploidentical stem cell transplantation (HSCT) retaining stem cells, NK cells and TCRγδ+ T cells. To avoid treatment‐related occurrence of severe GvHD a precise quantification of residual TCRαβ+ T cells in the graft is of essential importance.

Methods

Nine stem cell grafts were purified immunomagnetically on a CliniMACS device and flow cytometric quality control (QC) was performed before and after TCRαβ/CD19‐depletion.

Results

As a challenge a new 10‐color QC‐panel was established, which enables accurate quantification of the graft composition. The binding sites of residual TCRαβ+ T and CD19+ B cells were at least partly occupied by depletion antibodies impeding flow cytometric analysis. Based on respective controls and an assumed variation coefficient of 18%, the detection limit of residual TCRαβ T cells was 1 cell/µl. and 0.002% of CD45+ cells. Log‐depletion of TCRαβ and CD19 cells was −3.9 and −3.3, respectively. The recovery was 82.1%, 67.1% and 72.7% for stem cells, NK cells and for TCRγδ+ T cells.

Conclusions

In clinical use this method may help to improve transplantation outcome, due to the correct application of the desired stem cell and the limited T cell dose. The panel is designed for the QC following TCRαβ/CD19‐depletion but is adaptable to other depletion strategies as well. © 2015 International Clinical Cytometry Society
Prognostic value of residual pulmonary congestion at discharge assessed by lung ultrasound imaging in heart failure
Authors: Coiro Stefano , Rossignol Patrick , Ambrosio Giuseppe , Carluccio Erberto , Alunni Gianfranco , Murrone Adriano , Tritto Isabella , Zannad Faiez , Girerd Nicolas
Published: September 2015

Aims

Residual pulmonary congestion at discharge is associated with poor prognosis in heart failure (HF), but its quantification through physical examination is challenging. Ultrasound imaging of lung comets (B‐lines) could improve congestion evaluation. The aim of this study was to assess the short‐term prognostic value of B‐lines after discharge from HF hospitalisation compared with other indices of haemodynamic congestion (BNP, E/e', and inferior vena cava diameter) or clinical status (NYHA class).

Methods and results

Sixty consecutive HF inpatients underwent clinical examination, echocardiography, and lung ultrasound at discharge, independently of, and in addition to routine management by the attending physicians. The median B‐line count was 8.5 (5–34). Three‐month event‐free survival for the primary endpoint (all‐cause death or HF hospitalisation) was 27 ± 10% in patients with ≥30 B‐lines and 88 ± 5% in those with <30 B‐lines (P < 0.0001). In a multivariable model, ≥30 B‐lines significantly predicted the combined endpoint (hazard ratio 5.66, 95% confidence interval 1.74–18.39, P = 0.04), along with NYHA ≥III and inferior vena cava diameter, while other indirect measures of congestion (BNP and E/e' ≥15) were not retained in the model; furthermore ≥30 B‐lines independently also predicted the secondary outcomes (HF hospitalisation and death). Importantly, B‐line addition to NYHA class and BNP was associated with improved risk classification (integrated discrimination improvement 15%, P = 0.02; continuous net reclassification improvement 65%, P = 0.03).

Conclusion

Residual pulmonary congestion at discharge, as assessed by a B‐line count ≥30, is a strong predictor of outcome. Lung ultrasonography may represent a useful tool to identify and monitor congestion and optimize therapy during and/or after hospitalisation for HF, which should be further validated in multicentre studies.
Iridium(I) Complexes Bearing a Noninnocent PNP‐Pincer‐Type Phosphaalkene ­Ligand: Catalytic Application in the Base‐Free N‐Alkylation of Amines with Alcohols
Authors: Chang Yung‐Hung , Tanigawa Ippei , Taguchi Hiro‐omi , Takeuchi Katsuhiko , Ozawa Fumiyuki
Published: September 2015

A series of IrI complexes [Ir(L)(PPEP*)] [L = Cl– (3), CO (4), tBuNC (5), PMe3 (6), PPh3 (7)], coordinated with a PNP‐pincer‐type phosphaalkene ligand bearing a dearomatized pyridine ring (PPEP*), have been prepared and their catalytic properties for the dehydration/condensation of amines with alcohols has been examined. The catalytic reactions successfully proceed under base‐free conditions to give N‐alkylated amines and their dehydrogenation derivatives (imines). The product selectivity is dependent on L coordinated with Ir(PPEP*). Complexes 4 and 5 that contain π‐accepting ligands (CO, tBuNC) form N‐alkylated amines as the major products in a closed system using a nitrogen‐gas‐filled Schlenk tube. In contrast, complex 7 that contain PPh3 as L produces imines as the major products under a nitrogen‐gas flow. The reason for the selectivity change depending on L is discussed based on stoichiometric reactions using model compounds of presumed catalytic intermediates.
Synthesis of New Diketopiperazines, Thiolation to Thiodiketopiperazines, and Examination of Their ROS‐Generating Properties
Authors: Zhong Sabilla , Wandler Angela E. E. , Schepers Ute , Nieger Martin , Bräse Stefan
Published: September 2015

A variety of new symmetrical and unsymmetrical diketopiperazines have been prepared from free amino acids by using a previously developed microwave‐assisted protocol. This included the successful incorporation of L‐pyroglutamic acid as an unusual building block. The diketopiperazines were then thiolated electrophilically to the corresponding bis(methylthio)‐ and epidithiodiketopiperazines. Initial experiments showed a promising activity towards the generation of reactive oxygen species in HeLa cells.
Synthesis of Isoxazoline Derivatives Based on Nitrile Oxide Cycloaddition of Nitroso‐Nitro‐Enamine
Authors: Kondacs László András , Pilipecz Mihály Viktor , Mucsi Zoltán , Balázs Barbara , Gáti Tamás , Nyerges Miklós , Dancsó András , Nemes Péter
Published: September 2015

A new and stable nitroso‐nitro‐enamine reagent, providing a nitrile oxide 1,3‐dipole, has been treated with dipolarophiles in the course of 1,3‐dipolar cycloaddition reactions to give a large number of novel isoxazolyl‐pyrroline derivatives. Surprisingly, instead of the expected 2‐isoxazolyl‐dihydropyrrole cycloadducts, dihydropyrrol‐3‐one oximes were isolated as the main products in most cases. The imino‐oxime moiety was successfully transformed into 3‐aminopyrrole derivatives. The mechanism and selectivity of the reactions were also studied by experimental and theoretical methods [WB97XD/6‐311++G(2d,2p)//B3LYP/6‐311++G(2d,2p)], including the solvent effect.