bluuebunny/crossref_metadata_2025_split huggingface dataset:
THE SURFACE WAVE IN A TWO-DIMENSIONAL VORTEX LAYER
Authors: Hamada Tokuichi 
Published: June 2017

Progressive surface wave in a two-dimensional vortex layer is theoretically treated. Dynamical equations and free surface conditions are shown by using the two-dimensional stream functions of wave and vortex.
Then the perturbation equations are given by assuming that the ratio of length scale of vortices and wave is fairly small. The first approximate solution of wave has a usual form of an irrotational progressive wave. Vortices are assumed to be steady and to have simplified Fourier-
Stleltjes form. Then the interaction of this primary wave and the vortices are examined. To satisfy the free surface condition of the second order, existent waves are formed.
In the second order term of the free surface elevation, these secondary waves offset the effect of the above mentioned interaction, and so the surface profile of the primary wave is not altered by the existence of inner vortices of high frequency. Some pictures of Irregular surface waves in a turbulent flow are shown to verify this property.
Enantioselective Hydrogenation of Pyrrolo[1,2‐a]pyrazines, Heteroaromatics Containing Two Nitrogen Atoms
Authors: Hu Shu‐Bo , Chen Zhang‐Pei , Song Bo , Wang Jie , Zhou Yong‐Gui 
Published: June 2017

AbstractAn enantioselective iridium‐catalyzed direct hydrogenation of heteroaromatics containing two nitrogen atoms, 3‐substituted pyrrolo[1,2‐a]pyrazines, has been successfully achieved, providing a facile synthesis of optically active 1,2,3,4‐tetrahydropyrrolo[1,2‐a]pyrazines with up to 96% ee.magnified image
Iridium‐Catalyzed Enantioselective Synthesis of Pyrrole‐Annulated Medium‐Sized‐Ring Compounds
Authors: Huang Lin , Cai Yue , Zheng Chao , Dai Li‐Xin , You Shu‐Li 
Published: June 2017

AbstractEnantioselective synthesis of pyrrole‐annulated medium‐sized‐ring compounds by an iridium‐catalyzed allylic dearomatization/retro‐Mannich/hydrolysis sequence is presented. Various substituted pyrrole‐annulated seven‐ and eight‐membered‐ring products were obtained under mild reaction conditions with moderate to good yields and excellent enantioselectivity. Additionally, these products contain a scaffold widely distributed in natural products and biologically active compounds. The current method provides a convenient way for accessing such pyrrole‐anuulated medium‐sized‐ring compounds.
Ni3FeN‐Supported Fe3Pt Intermetallic Nanoalloy as a High‐Performance Bifunctional Catalyst for Metal–Air Batteries
Authors: Cui Zhiming , Fu Gengtao , Li Yutao , Goodenough John B. 
Published: June 2017

AbstractElectrocatalysts for both the oxygen reduction and evolution reactions (ORR and OER) are vital for the performances of rechargeable metal–air batteries. Herein, we report an advanced bifunctional oxygen electrocatalyst consisting of porous metallic nickel‐iron nitride (Ni3FeN) supporting ordered Fe3Pt intermetallic nanoalloy. In this hybrid catalyst, the bimetallic nitride Ni3FeN mainly contributes to the high activity for the OER while the ordered Fe3Pt nanoalloy contributes to the excellent activity for the ORR. Robust Ni3FeN‐supported Fe3Pt catalysts show superior catalytic performance to the state‐of‐the‐art ORR catalyst (Pt/C) and OER catalyst (Ir/C). The Fe3Pt/Ni3FeN bifunctional catalyst enables Zn–air batteries to achieve a long‐term cycling performance of over 480 h at 10 mA cm−2 with high efficiency. The extraordinarily high performance of the Fe3Pt/Ni3FeN bifunctional catalyst makes it a very promising air cathode in alkaline electrolyte.
Bromination of Cycloparaphenylenes: Strain‐Induced Site‐Selective Bis‐Addition and Its Application for Late‐Stage Functionalization
Authors: Kayahara Eiichi , Qu Rui , Yamago Shigeru 
Published: June 2017

AbstractBromination of [n]cycloparaphenylenes (CPPs) is herein reported. Small [n]CPPs (n<8) underwent a bis‐bromine addition reaction with high site selectively to produce tetrabromo adducts in moderate to excellent yields. Theoretical calculations revealed that thermodynamic stability dictates both the reactivity and site selectivity of the reaction. The addition product was further converted into the octabromo product by a FeBr3‐catalyzed site‐selective bromination reaction. The tetra‐ and octabromine adducts were then transformed into mono‐ to tetrabromo CPPs, which were further converted into several CPP derivatives. Therefore, bromination and subsequent transformations provide a path for late‐stage functionalization of CPPs.
A Dimeric NHC–Silicon Monotelluride: Synthesis, Isomerization, and Reactivity
Authors: Chan Yuk‐Chi , Leong Bi‐Xiang , Li Yongxin , Yang Ming‐Chung , Li Yan , Su Ming‐Der , So Cheuk‐Wai 
Published: June 2017

AbstractThe reaction of the NHC–disilicon(0) complex [(IAr)Si=Si(IAr)] (1, IAr=:C{N(Ar)C(H)}2, Ar=2,6‐iPr2C6H3) with two equiv of elemental Te in toluene at room temperature for three days afforded a mixture of the first dimeric NHC–silicon monotelluride [(IAr)Si=Te]2 (2) and its isomeric complex [(IAr)Si(μ‐Te)Si(IAr)=Te] (3). When the same reaction was performed for ten days, only 3 was isolated from the reaction mixture. Compound 1 reacted with four equiv of elemental Te in toluene for four weeks, which proceeded through the formation of 2, 3 and the NHC–disilicon tritelluride complex [{(IAr)Si(=Te)}2Te] (5‐Te), to form the dimeric NHC–silicon ditelluride [(IAr)Si(=Te)(μ‐Te)]2 (4). The reactions are in line with theoretical mechanistic studies for the formation of 4. Compound 3 reacted with one equiv of elemental sulfur in toluene to form the first NHC–disilicon sulfur ditelluride complex [{(IAr)Si(=Te)}2S] (5‐S).
Mixture model with multiple allocations for clustering spatially correlated observations in the analysis of ChIP‐Seq data
Authors: Ranciati Saverio , Viroli Cinzia , Wit Ernst C. 
Published: June 2017

AbstractModel‐based clustering is a technique widely used to group a collection of units into mutually exclusive groups. There are, however, situations in which an observation could in principle belong to more than one cluster. In the context of next‐generation sequencing (NGS) experiments, for example, the signal observed in the data might be produced by two (or more) different biological processes operating together and a gene could participate in both (or all) of them. We propose a novel approach to cluster NGS discrete data, coming from a ChIP‐Seq experiment, with a mixture model, allowing each unit to belong potentially to more than one group: these multiple allocation clusters can be flexibly defined via a function combining the features of the original groups without introducing new parameters. The formulation naturally gives rise to a ‘zero‐inflation group’ in which values close to zero can be allocated, acting as a correction for the abundance of zeros that manifest in this type of data. We take into account the spatial dependency between observations, which is described through a latent conditional autoregressive process that can reflect different dependency patterns. We assess the performance of our model within a simulation environment and then we apply it to ChIP‐seq real data.
A UPLC‐TOF/MS‐based metabolomics study of rattan stems of Schisandra chinensis effects on Alzheimer's disease rats model
Authors: Yang Bing‐You , Tan Jin‐Yan , Liu Yan , Liu Bo , Jin Shuang , Guo Hong‐Wei , Kuang Hai‐Xue 
Published: June 2017

AbstractA UPLC‐TOF/MS‐based metabolomics method was established to explore the therapeutic mechanisms of rattan stems of S. chinensis (SCS) in Alzheimer's disease (AD). Experimental AD model was induced by intra‐hippocampal Aβ1–42 injection in rats. Cognitive function and oxidative stress condition in brain of AD rats were assessed using Morris water maze tests and antioxidant assays [malondialdehyde (MDA), superoxide dismutase (SOD) and glutathione peroxidase (GSH‐Px)], respectively. UPLC‐TOF/MS combined with multivariate statistical analysis were conducted to study the changes in metabolic networks in serum of rats. The results indicated that the AD model was established successfully and the inducement of Aβ1–42 caused a decline in spatial learning and memory of rats. The injection of Aβ1–42 in rat brains significantly elevated the level of MDA, and reduced SOD and GSH‐Px activities. In addition, SCS showed significant anti‐AD effects on model rats. A total of 30 metabolites were finally identified as potential biomarkers of AD and 14 of them had a significant recovery compared with the AD model after SCS administration. Changes in AD metabolite profiling were restored to different levels through the regulation of 13 pathways. This is first report on the use of the UPLC‐TOF/MS‐based serum metabolomics method to investigate therapeutic effects of SCS on AD, and enrich potential biomarkers and metabolic networks of AD.
A new concept of fairness in flow‐aware networking
Authors: Wójcik Robert , Domżał Jerzy , Gawłowicz Piotr 
Published: June 2017

SummaryWe demonstrate a new approach to assuring fairness in flow‐aware networking. Standard routine in flow‐aware networking guarantees that each flow receives the same amount of resources. This property can be exploited by dividing a single transmission into a number of flows. We propose and evaluate the per‐user fair packet scheduling mechanism, which ensures fairness among users (not flows). We also compare the new mechanism with the one already known from the literature, which is based on altering the admission control routine. Evaluation shows that the new concept of fairness provides better performance and fair resource distribution regardless of the behavior of users.
RpeakChrom: Novel R package for the automated characterization and optimization of column efficiency in high‐performance liquid chromatography analysis
Authors: Peris‐Díaz Manuel David , Alcoriza‐Balaguer Maria Isabel , García‐Cañaveras Juan Carlos , Santonja Francisco , Sentandreu Enrique , Lahoz Agustín 
Published: June 2017

AbstractCharacterization of chromatographic columns using the traditional van Deemter method is limited by the necessity of calculating extra‐column variance, issue particularly relevant when modeling asymmetrical peaks eluted from monolithic columns. A novel R package that implements Parabolic Variance Modified Gaussian approach for accurate peak modeling, van Deemter equation and two alternatives approaches, based on van Deemter, has been developed to calculate the height equivalent to a theoretical plate (HETP). To assess package capabilities conventional packed reverse‐phase and monolithic HPLC columns were characterized. Peaks eluted from the monolithic column showed a high value of factor asymmetry due, in part, to the contribution of extra‐column factors. Such deviation can be circumvented by the two alternatives approaches implemented in the R‐package. Furthermore, increased values of eddy diffusion and mass transfer kinetics terms in HETP were observed for the packed column, while accuracy was below 9% in all cases. These results showed the usefulness of the R‐package for both modeling chromatographic peaks and assessing column efficiency. The RpeakChrom package could become a helpful tool for testing new stationary phases during column development and to evaluate column during its lifetime. This R tool is freely available from CRAN (https://CRAN.R-project.org/package=RpeakChrom).
IMPLEMENTING AN ATTACHMENT‐BASED PARENTING INTERVENTION WITHIN HOME‐BASED EARLY HEAD START: HOME‐VISITORS’ PERCEPTIONS AND EXPERIENCES
Authors: West Allison L. , Aparicio Elizabeth M. , Berlin Lisa J. , Jones Harden Brenda 
Published: June 2017

ABSTRACTImplementation of evidence‐based interventions in “real‐world” settings is enhanced when front‐line staff view the intervention as acceptable, appropriate, and feasible. This qualitative study addresses Early Head Start (EHS) home visitors’ perceptions and experiences of an evidence‐based parenting intervention, the Attachment and Biobehavioral Catch‐up program (M. Dozier, O. Lindhiem, & J. Ackerman, 2005), when added to EHS services as usual within the context of a research‐practice partnership. Thematic analysis of in‐depth, qualitative interviews indicates that home visitors experienced the intervention as positive and helpful for EHS families. Some challenges included scheduling and uncertainty regarding the goals of the intervention. Concerns over participation in the research centered on information exchange, confidentiality, and time limitations.
Morphological Integration and Alternative Life History Strategies: A Case Study in a Facultatively Paedomorphic Newt
Authors: Tomašević Kolarov Nataša , Cvijanović Milena , Denoël Mathieu , Ivanović Ana 
Published: June 2017

ABSTRACTTetrapod limbs are serially homologous structures that represent a particularly interesting model for studies on morphological integration, i.e. the tendency of developmental systems to produce correlated variation. In newts, limbs develop at an early larval stage and grow continuously, including after the habitat transition from water to land following metamorphosis. However, aquatic and terrestrial environments impose different constraints and locomotor modes that could affect patterns of morphological integration and evolvability. We hypothesize that this would be the case for alternative heterochronic morphs in newts, i.e. aquatic paedomorphs that keep gills at the adult stage and adult metamorphs that are able to disperse on land. To this end, we analyzed patterns and strengths of correlations between homologous skeletal elements of the fore‐ and hindlimbs as well as among skeletal elements within limbs in both phenotypes in the alpine newt, Ichthyosaura alpestris. Our results showed that metamorphs and paedomorphs had similar, general patterns of limb integration. Partial correlations between homologous limb elements and within limb elements were higher in paedomorphs when compared to metamorphs. A decrease in partial correlation between homologous limb elements in metamorphs is accompanied with a higher evolvability of the terrestrial morph. All these results indicate that environmental demands shaped the patterns of morphological integration of alpine newt limbs and that the observed diversity in correlation structure could be related to a qualitative difference in the modes of locomotion between the morphs.
Fully automatic and precise data analysis developed for time‐of‐flight mass spectrometry
Authors: Meyer Stefan , Riedo Andreas , Neuland Maike B. , Tulej Marek , Wurz Peter 
Published: June 2017

Scientific objectives of current and future space missions are focused on the investigation of the origin and evolution of the solar system with the particular emphasis on habitability and signatures of past and present life. For in situ measurements of the chemical composition of solid samples on planetary surfaces, the neutral atmospheric gas and the thermal plasma of planetary atmospheres, the application of mass spectrometers making use of time‐of‐flight mass analysers is a technique widely used. However, such investigations imply measurements with good statistics and, thus, a large amount of data to be analysed. Therefore, faster and especially robust automated data analysis with enhanced accuracy is required. In this contribution, an automatic data analysis software, which allows fast and precise quantitative data analysis of time‐of‐flight mass spectrometric data, is presented and discussed in detail. A crucial part of this software is a robust and fast peak finding algorithm with a consecutive numerical integration method allowing precise data analysis. We tested our analysis software with data from different time‐of‐flight mass spectrometers and different measurement campaigns thereof. The quantitative analysis of isotopes, using automatic data analysis, yields results with an accuracy of isotope ratios up to 100 ppm for a signal‐to‐noise ratio (SNR) of 104. We show that the accuracy of isotope ratios is in fact proportional to SNR−1. Furthermore, we observe that the accuracy of isotope ratios is inversely proportional to the mass resolution. Additionally, we show that the accuracy of isotope ratios is depending on the sample width Ts by Ts0.5. Copyright © 2017 John Wiley & Sons, Ltd.
Effect of harvest, drying and storage on the bitterness, moisture, sugars, free amino acids and phenolic compounds of jujube fruit (Zizyphus jujuba cv. Junzao)
Authors: Pu Yunfeng , Ding Tian , Wang Wenjun , Xiang Yanju , Ye Xingqian , Li Mei , Liu Donghong 
Published: June 2017

AbstractBACKGROUNDThe taste of dried jujube fruit when compared with fresh ones is less palatable, as it develops bitterness during drying and storage. Therefore, identifying the methods by which bitterness occurs is essential for developing strategies for processing and storage.RESULTSBitterness in fresh jujube fruit was negligible; however, it increased by 0.9‐, 1.5‐ and 1.8‐fold during drying and storage over 6 and 12 months. The moisture significantly decreased during harvesting and drying. Free amino acids, except proline and tyrosine, significantly decreased during drying and storage. Fructose, glucose and sucrose hardly changed during harvest, drying and storage. Titratable acidity, total phenolic and total flavonoids contents were stable during harvest and drying, but increased upon storage. Additionally, protocatechuic and ellagic acids were not detected in fresh jujube fruit, however, were found to increase during drying and storage.CONCLUSIONBitterness in fresh jujube fruit tasted negligible because of meagre amount of phytochemicals, while the condensation effect of moisture reduction, the loss of free amino acids, and the formation of protocatechuic and ellagic acids could aggravate the bitterness of jujube fruit during drying and storage. © 2017 Society of Chemical Industry
Chemical composition and antioxidant activity of the volatile fraction extracted from air‐dried fruits of Tunisian Eryngium maritimum L. ecotypes
Authors: Ben Lajnef Houda , Ferioli Federico , Pasini Federica , Politowicz Joanna , Khaldi Abdelhamid , Filippo D'Antuono L , Caboni Maria Fiorenza , Nasri Nizar 
Published: June 2017

AbstractBACKGROUNDEryngium maritimum L., also known as ‘sea holly’, is a typical dune plant species belonging to the Apiaceae family and commonly used in Tunisia for therapeutic purposes in folk medicine. In the present study, the chemical composition and antioxidant activity of the volatile fraction extracted from air‐dried fruits of five Tunisian E. maritimum ecotypes were determined.RESULTSThe total volatile amount ranged from 0.31% to 0.93% (w d.w.−1). Sixty‐six volatile components were identified by means of GC–MS and accounted for 77.05–86.65% of the total extracted volatile oil. The majority of the identified metabolites were hydrocarbon sesquiterpenes and oxygenated sesquiterpenes, amounting on average to 46.69% and 30.01% of total volatiles, respectively. The principal individual components were germacrene D (13.62–31.71%), 15‐hydroxy‐α‐muurolene (12.04–18.58%), and germacrene B (6.77–15.04%). Significant differences were noticed among E. maritimum populations. The volatile profile of E. maritimum fruits was consistently different from those of the aerial parts and roots of plants of the same species reported in previous investigations. Average radical scavenging capacity of the volatile fraction, as determined by DPPH and ABTS tests, was twice higher than that of the Trolox control.CONCLUSIONThis study characterised for the first time the fruits of E. maritimum for the composition and radical‐scavenging capacity of their volatile fraction. The growth location confirmed as a pivotal factor in influencing the volatile profile of the fruits. © 2017 Society of Chemical Industry
Characterization of bulk and shear properties of basmati and non‐basmati rice flour
Authors: Jan Shumaila , Ghoroi Chinmay , Saxena Dharmesh Chandra 
Published: June 2017

AbstractBACKGROUNDFlours are often unstable in relation to their flow performance, which is evident when a free‐flowing material ceases to flow and the processing, handling, and production parameters depend on the inherent powder characteristics and their bulk behaviour. The present study was conducted to compare the flowability of basmati and non‐basmati rice flour affecting bulk handling, which could be related to its particle size, shape and surface roughness (measured by atomic force microscopy) as well as bulk and shear properties, depending upon the processing conditions.RESULTSParticle size (171.1–171.9 μm) of both samples was not significantly different. However, the flowability of the non‐basmati rice flour was significantly affected by its particle shape (circularity 0.487), surface roughness (124.23 nm) and compressibility (25.32%) in comparison to basmati rice flour (circularity 0.653, surface roughness 113.59 nm and compressibility 21.09%), making it more cohesive than basmati rice flour. Also, basic flow energy was significantly higher in non‐basmati flour, thus requiring more energy (147.54 mJ) to flow than basmati rice flour (130.15 mJ).CONCLUSIONOverall, flowability was analysed by applying three different pressures (3, 6 and 9 kPa), among which non‐basmati rice flour was found to be less flowable (flow function coefficient (FFC) 2.33 at 9 kPa) in comparison to basmati (FFC 3.35 at 9 kPa), making bulk handling difficult. This study could be useful in designing processing equipment, hoppers and silos for rice flour handling. © 2017 Society of Chemical Industry
Uncertainty and Sensitivity Analyses of the Modified Wind Erosion Equation for Application in Canada
Authors: Huang Qiang , Badreldin Nasem , Lobb David A. , Li Sheng , Feng Gary , McConkey Brian G. 
Published: June 2017

AbstractThe wind erosion equation (WEQ) was used for several decades for predicting soil loss by wind erosion, but few systematic studies on the uncertainty of predicting wind erosion have been conducted. Several researchers found that WEQ is not accurately representing soil erosion and under‐represents soil erodibility that consequently results in WEQ underestimations. WEQ was modified under Canadian conditions for the National Agri‐Environmental Health Analysis and Reporting Program, referred as (WEQ‐NAHARP). The model, input, and parameter uncertainties that control model efficiency were used to analyze the local and universal uncertainties for WEQ‐NAHARP. One and ninety‐nine percentiles were used as lower and upper boundaries of uncertainty bound when using general likelihood uncertainty estimation for estimating the uncertainty of WEQ‐NAHARP's prediction. The soil erodibility (I), climate factor (C), and soil surface roughness factor (K) were found as the three most sensitive factors in predicting wind erosion in WEQ‐NAHARP. The vegetation cover factor (V) was discovered not sensitive to the prediction model as it is less than 1,000 kg ha−1 and became very sensitive as V‐value is greater than 5,000 kg ha−1. Field length along the prevailing wind erosion direction (L) and V have lower local sensitivity indexes than the other three factors. WEQ‐NAHARP underestimated wind erosion rate of Pampas, Argentina, and overestimated at Washington State, USA. This probably reflected the nature of WEQ‐NAHARP's behavior, which had a great uncertainty of its prediction. The model appears to underestimate total annual soil loss for coarse soil and overestimate annual soil loss for finer soil. Copyright © 2017 John Wiley & Sons, Ltd.