bluuebunny/crossref_metadata_2025_split huggingface dataset:
Effectiveness of radial flow on rewetting of AHWR fuel cluster
Authors: Kumar M. , Mukhopadhyay D. , Ghosh A. K. , Kumar R. 
Published: March 2014

Abstract
Rewetting of a hot surface is the process of establishing direct liquid contact with a large portion of the surface whose initial temperature exceeds that required to maintain film boiling for prescribed surface and flow conditions. The Advanced Heavy water Reactor (AHWR) is a natural circulation vertical pressure tube type boiling light water cooled and heavy water moderated reactor. In case of a loss of coolant accident, the clad surface temperature goes up very high and comes down due to coolant injection from the Emergency Core Coolant System (ECCS). The rewetting takes place in Boiling Water Reactors (BWR) due to top flooding and Pressurised Water Reactors (PWR) due to bottom flooding. But in AHWR, the emergency coolant enters into the reactor core in radial direction and after this, cross flow phenomenon takes place from one fuel pin ring to next. The study is being carried out on the effect of cross flow on rewetting of AHWR fuel bundle. This paper will discuss the modeling of the experimental setup having pressure tube, fuel cluster, steam generator, accumulator etc and study the effect of radial flow on rewetting of fuel pins. An analysis of the model, considering with and without cross flow, has been carried out and shows that the pick fuel temperature is sensitive to cross flow. The thermal hydraulic safety analysis code Relap5/3.2 is being used for modeling of experimental setup for rewetting study.
Microtomographic assessment of damage in P91 and E911 steels after long-term creep
Authors: Renversade Loïc , Ruoff Herbert , Maile Karl , Sket Federico , Borbély András 
Published: March 2014

Abstract
Two flat hollow cylinders made of martensitic 9 wt.% Cr steels were creep deformed under in-service conditions typical of steam pipes at fossil-fuel fired power plants. Damage in the tubes was assessed through synchrotron X-ray microtomography by evaluating the shape, size and spatial-distribution of voids. The analysis of the size distribution of non-coalesced voids suggested that void growth is controlled by the plasticity constrained diffusional mechanism, a hypothesis verified by micromechanical simulations. A much higher void density was found in steel grade P91 compared to E911.
Importeurs en exporteurs van literatuur: de Nederlandse letteren in Frankrijk
Authors: Andringa Kim 
Published: March 2014

French is an important target language in the translation of Dutch literary texts. This article offers a short qualitative and quantitative historical survey of Dutch language literary publications in French translation from 1900 to 2010. Throughout the twentieth century and the first decade of the twenty-first century, the quantity of translations has been increasing. Promotional activities by institutions such as the Nederlands Letterenfonds, formerly the NLPVF, contribute to making a peripheral literature known outside the boundaries of its linguistic area.
The article then goes on to investigate the essential, yet not very well-known, parts that various kinds of mediators play in the translation process, especially in transferring a given text from one national literary field to another. The theory of components as elaborated by Andringa, Levie & Sanders is used to categorise the particularly intricate web of relations between the literary fields of source language and target language in which these mediators, both individuals and institutions, intervene.
As actors behind the scenes, their role is difficult to grasp in reception studies, but they are decisive in their contextualisation, or ‘literarization’ (Casanova 1999), of Dutch literature aimed at a French audience.
The Effectiveness of “Emolabeling” to Promote Healthy Food Choices in Children Preschool Through 5th Grade
Authors: Privitera Gregory J. , Phillips Taylor E. , Misenheimer Melissa , Paque Robert 
Published: March 2014

Obesity has become a growing global concern. Evidence indicates that ecological factors are most predictive of obesity among children, and that a new strategy, referred to as emolabeling, may effectively address ecological factors, although the extent to which it can influence food choice is not yet known, but tested here. Specifically, we tested the hypothesis that children aged 3 to 11 years will use emolabels, or emotional correlates of health (i.e. healthy-happy, unhealthy-sad), to make healthy food choices. A cross-sectional design was used with two phases. In Phase 1, children were taught how to use emolabels with a “faces of health” lesson. In Phase 2, children made choices between containers that were laid out on a large table in pairs and varied by taste (tastes good, no information), social norms (popular, not popular), branding (image of a minion, no image), or preference (told what food was in each container). A control pair was labeled with only emoticons. The order and presentation of the containers were counterbalanced for each variation. Results showed that a significant proportion of children in the pre-literacy and the early literacy grades used emoticons to specifically make healthy food choices in each variation (p < .05 for all tests), except when children were told what foods were in the containers. In all, emolabeling effectively influenced food choices for healthy foods among children aged 3 to 11 years, more so than labeling for taste, social norms, and branding, but not preference.
Statistical characteristics of particle injections throughout the equatorial magnetotail
Authors: Gabrielse C. , Angelopoulos V. , Runov A. , Turner D. L. 
Published: March 2014

AbstractEnergetic particle injections are critical for supplying particles and energy to the inner magnetosphere. Recent case studies have demonstrated a good correlation between injections and transient, narrow, fast flow channels as well as earthward reconnection (dipolarization) fronts in the magnetotail, but statistical observations beyond geosynchronous orbit (GEO) to verify the findings were lacking. By surveying trans‐geosynchronous injections using Time History of Events and Macroscale Interactions during Substorms (THEMIS), we show that their likely origin is the earthward traveling, dipolarizing flux bundles following near‐Earth reconnection. The good correlation between injections and fast flows, reconnection fronts and impulsive, dawn‐dusk electric field increases is not limited to within 12 RE but extends out to 30 RE. Like near‐Earth reconnection, both ion and electron injections are most probable in the premidnight sector. Similar to bursty bulk flows (BBFs), injection‐time flow speeds are faster farther from Earth. With faster flows, injection intensity generally increases and extends to higher energy channels. With increased geomagnetic activity, injection occurrence rate increases (akin to that of BBFs) and spectral hardening occurs (κ decreases). The occurrence rate increase within the inner magnetosphere suggests that injections populate the radiation belts more effectively under enhanced activity. Our results are inconsistent with the classical concept of an azimuthally wide injection boundary moving earthward from ~9 to 12 RE to GEO under an enhanced cross‐tail electric field. Rather, particle injection and transport occur along a large range of radial distances due to effects from earthward penetrating, azimuthally localized, transient, strong electric fields of recently reconnected, dipolarizing flux bundles.
Potential of a low‐cost sensor network to understand the spatial and temporal dynamics of a mountain snow cover
Authors: Pohl Stefan , Garvelmann Jakob , Wawerla Jens , Weiler Markus 
Published: March 2014

AbstractThe spatial and temporal dynamics of seasonal snow covers play a critical role for many hydrological, ecological, and climatic processes. This paper presents a new, innovative approach to continuously monitor these dynamics using numerous low‐cost, standalone snow monitoring stations (SnoMoS). These stations provide snow and related meteorological data with a high temporal and spatial resolution. Data collected by SnoMoS include: snow depth, surface temperature, air temperature and humidity, total precipitation, global radiation, wind speed, and barometric pressure. A total of 99 sensors were placed over the winters 2010/2011 and 2011/2012 at multiple locations within three 40–180 km2 basins in the Black Forest region of Southern Germany. The locations were chosen to cover a wide range of slopes, elevations, and expositions in a stratified sampling design. Furthermore, “paired stations” located in close proximity to each other, one in the open and one underneath various forest canopies, were set up to investigate the influence of vegetation on snow dynamics. The results showed that considerable differences in snow depth and, therefore, snow water equivalent (SWE) are present within the study area despite its moderate temperatures and medium elevation range (400–1500 m). The relative impact of topographical factors like elevation, aspect, and of different types of forest vegetation were quantified continuously and were found to change considerably over the winter period. The recorded differences in SWE and snow cover duration were large enough that they should be considered in hydrologic and climate models.
Exploring the link between meteorological drought and streamflow: Effects of climate‐catchment interaction
Authors: Haslinger Klaus , Koffler Daniel , Schöner Wolfgang , Laaha Gregor 
Published: March 2014

AbstractIn this paper, we perform a detailed regional analysis of the link between meteorological drought indices and streamflow for a comprehensive Austrian data set of 47 small to medium‐size catchments in humid‐temperate climate. Four drought indices considering different components of the catchment water balance are tested. We assess the quality of the link using rank correlation analysis, and the probability of detecting low‐flow events by hit‐scores. Overall, correlations range between 0.4 and 0.8 and differ significantly between regions. A stratified analysis shows that the link is much stronger (i) for summer low flows and droughts than for anomalies in general, and (ii) for more humid than more arid conditions. Under more humid conditions streamflow droughts of small to medium‐size catchments are to a large extent generated by climate forcing and therefore well represented by a simple meteorological index. Under increasingly dry conditions, the climate signal gets less predictive, and storage properties of the underground become more important. A simple soil moisture accounting scheme (such as those of the Palmer index) can considerably improve the correlations. Overall, we conclude there is a significant link between meteorological drought and streamflow drought, except for catchments where groundwater storage and snow processes are important. The results are encouraging and provide a wealth of information which can profitably be used to set up statistical prediction models to estimate low flows from meteorological time series.
Copper(II)‐Catalyzed Aerobic Oxidative Coupling between Chalcone and 2‐Aminopyridine via CH Amination: An Expedient Synthesis of 3‐Aroylimidazo[1,2‐a]pyridines
Authors: Monir Kamarul , Kumar Bagdi Avik , Mishra Subhajit , Majee Adinath , Hajra Alakananda 
Published: March 2014

AbstractA simple and efficient protocol has been developed for the synthesis of 3‐aroylimidazopyridines via copper(II) acetate‐catalyzed aerobic oxidative amination. A library of 3‐aroylimidazopyridines was synthesized from readily accessible chalcones and 2‐aminopyridines with high yields and regioselectivity. The reaction proceeds through a tandem Michael addition followed by an intramolecular oxidative amination. The successful application of this methodology for a gram‐scale reaction indicates its potential for bulk synthesis.magnified image
Assembly of Indeno[1,2‐c]chromenes via a Palladium‐Catalyzed Reaction of 1‐Bromo‐2‐(cyclopropylidenemethyl)benzene with 2‐Alkynylphenol
Authors: Pan Xiaolin , Luo Yong , Ding Yechun , Fan Xiaona , Wu Jie 
Published: March 2014

Abstract1‐Bromo‐2‐(cyclopropylidenemethyl)benzenes react with 2‐alkynylphenols under palladium catalysis, leading to indeno[1,2‐c]chromenes in moderate to good yields. The molecular complexity and diversity can be introduced efficiently from easily available starting materials.magnified image
One‐Pot Synthesis of Spirooxazino Derivatives via Enzyme‐ Initiated Multicomponent Reactions
Authors: Wang Jun‐Liang , Chen Xiao‐Yang , Wu Qi , Lin Xian‐Fu 
Published: March 2014

AbstractA novel enzyme‐initiated multicomponent reaction from readily available aldehyde, nitrostyrene, cyclohexanone and acetamide substrates was discovered, enabling the facile construction of six new CC/N bonds and two rings in single step, one‐pot operation, for the synthesis of spirooxazino derivatives in moderate to high yields. Several methods such as isotope labelling and enzyme mutation were used to probe the possible mechanism of this complex synthesis.magnified image
Palladium‐Catalyzed Desulfitative Cross‐Coupling Reaction of Sodium Arylsulfinates with H‐Phosphonate Diesters
Authors: Miao Tao , Wang Lei 
Published: March 2014

AbstractA novel and convenient palladium‐catalyzed cross‐coupling reaction of H‐phosphonate diesters with sodium arylsulfinates was developed via desulfitation in the presence of silver carbonate and tetra‐butylammonium chloride. This method is highly efficient and provides a rapid access to a broad spectrum of arylphosphonate diesters in good to excellent yields.magnified image
Heck–Matsuda Arylation of Olefins Through a Bicatalytic Approach: Improved Procedures and Rationalization
Authors: Oger Nicolas , Le Callonnec François , Jacquemin Denis , Fouquet Eric , Le Grognec Erwan , Felpin François‐Xavier 
Published: March 2014

AbstractThe scope of the palladium‐catalyzed Heck–Matsuda reaction, proceeding through the catalytic activation of anilines into the corresponding diazonium salts, has been considerably extended and is now working with deactivated electrophiles. Two different procedures, using catalytic amounts of both palladium and acid, have been optimized allowing the concept of bicatalysis to cover the complete electronic range of anilines. These environmentally friendly procedures proceed under very mild conditions, at room temperature in methanol, and only generate tert‐butyl alcohol, water and nitrogen as by‐products. Rationalization of reaction outcomes encountered in this work has been discussed with the support of computational studies.magnified image
Oxidative Coupling of Organoboron Compounds
Authors: Dhital Raghu Nath , Sakurai Hidehiro 
Published: March 2014

AbstractAn increasing number of boron‐mediated reactions have become leading synthetic tools in organic chemistry. The transition‐metal‐catalyzed oxidative coupling reactions of aryl‐ and alkylboron compounds have been intensively studied over recent decades. Palladium‐based catalysts are often used in the presence of an appropriate oxidant, and the reaction mechanism has been fully elucidated. Efficient homocoupling reactions that are catalyzed by nanosized (<2 nm) gold particles were introduced in 2004, which allow the use of oxygen as a sustainable oxidant. Besides palladium and gold, other transition metals and bimetallic combinations can also serve as excellent catalysts. This review summarizes both the seminal early work and recent developments in the area of transition‐metal‐catalyzed oxidative homocoupling reactions of organoboron compounds and discusses the mechanistic details.
Alkynes in Organocatalysis
Authors: Salvio Riccardo , Moliterno Mauro , Bella Marco 
Published: March 2014

AbstractIn this Focus Review, a selection of organocatalyzed reactions in which alkynes have been used are presented. Catalysis by tertiary and secondary amines, by phase‐transfer catalysis, by phosphines and carbenes, as well as bifunctional and multiple catalysis are discussed. Alkynes are versatile intermediates which can open novel synthetic opportunities as their reactivity is enhanced with respect to the corresponding alkenes and further elaboration to develop domino processes is possible.
A Redox Switchable Dihydrobenzo[b]pyrazine Push‐Pull System
Authors: Maniam Subashani , Higginbotham Heather F. , Guo Si‐Xuan , Bell Toby D. M. , Izgorodina Ekaterina I. , Langford Steven J. 
Published: March 2014

AbstractThe synthesis and spectroscopic properties of a dissymmetrically core‐extended naphthalene diimides derived from o‐phenylenediamine and cyanoethene dithiolate were explored. The push‐pull nature of the peripheral substituents allows these naphthalene diimide dyes and their progenitors to display interesting photophysical and electrochemical properties, with the target system acting as a highly reversible and quantitative molecular switch with clear absorption and emission readouts based on chemical oxidation and reduction processes.
Long‐Lived 1H Nuclear Spin Singlet in Dimethyl Maleate Revealed by Addition of Thiols
Authors: Zhang Yuning , Soon Pei Che , Jerschow Alexej , Canary James W. 
Published: March 2014

AbstractNuclear magnetic resonance (NMR) spectroscopy and magnetic resonance imaging (MRI) have become important techniques in many research areas. One major limitation is the relatively low sensitivity of these methods, which recently has been addressed by hyperpolarization. However, once hyperpolarization is imparted on a molecule, the magnetization typically decays within relatively short times. Singlet states are well isolated from the environment, such that they acquire long lifetimes. We describe herein a model reaction for read‐out of a hyperpolarized long‐lived state in dimethyl maleate using thiol conjugate addition. This type of reaction could lend itself to monitoring oxidative stress or hypoxia by sensitive detection of thiols. Similar reactions could be used in biosensors or assays that exploit molecular switching. Singlet lifetimes of about 4.7 min for 1H spins in [D4]MeOH are seen in this system.
Polyoxometalate Clusters Integrated into Peptide Chains and as Inorganic Amino Acids: Solution‐ and Solid‐Phase Approaches
Authors: Yvon Carine , Surman Andrew J. , Hutin Marie , Alex Jennifer , Smith Brian O. , Long De‐Liang , Cronin Leroy 
Published: March 2014

AbstractGeneral synthetic methods for the grafting of peptide chains onto polyoxometalate clusters by the use of general activated precursors have been developed. Using a solution‐phase approach, pre‐synthesized peptides can be grafted to a metal oxide cluster to produce hybrids of unprecedented scale (up to 30 residues). An adapted solid‐phase method allows the incorporation of these clusters, which may be regarded as novel hybrid unnatural amino acids, during the peptide synthesis itself. These methods may open the way for the automated synthesis of peptides and perhaps even proteins that contain “inorganic” amino acids.
Gated Electron Sharing Within Dynamic Naphthalene Diimide‐Based Oligorotaxanes
Authors: Avestro Alyssa‐Jennifer , Gardner Daniel M. , Vermeulen Nicolaas A. , Wilson Eleanor A. , Schneebeli Severin T. , Whalley Adam C. , Belowich Matthew E. , Carmieli Raanan , Wasielewski Michael R. , Stoddart J. Fraser 
Published: March 2014

AbstractThe controlled self‐assembly of well‐defined and spatially ordered π‐systems has attracted considerable interest because of their potential applications in organic electronics. An important contemporary pursuit relates to the investigation of charge transport across noncovalently coupled components in a stepwise fashion. Dynamic oligorotaxanes, prepared by template‐directed methods, provide a scaffold for directing the construction of monodisperse one‐dimensional assemblies in which the functional units communicate electronically through‐space by way of π‐orbital interactions. Reported herein is a series of oligorotaxanes containing one, two, three and four naphthalene diimide (NDI) redox‐active units, which have been shown by cyclic voltammetry, and by EPR and ENDOR spectroscopies, to share electrons across the NDI stacks. Thermally driven motions between the neighboring NDI units in the oligorotaxanes influence the passage of electrons through the NDI stacks in a manner reminiscent of the conformationally gated charge transfer observed in DNA.
Metal‐Only Lewis Pairs by Reversible Insertion of Ruthenium and Osmium Fragments into Metal–Boron Double Bonds
Authors: Bertsch Stefanie , Bertermann Rüdiger , Braunschweig Holger , Damme Alexander , Dewhurst Rian D. , Phukan Ashwini K. , Saalfrank Christian , Vargas Alfredo , Wennemann Benedikt , Ye Qing 
Published: March 2014

AbstractNew metal‐only Lewis pairs (MOLPs: Ru→Cr and Os→Cr) are prepared by the insertion of a zerovalent ruthenium or osmium complex into chromium–boron double bonds of borylene complexes. The reaction creates new borylene complexes (the first ever for osmium), and is crystallization‐controlled; re‐dissolving the complexes results in regeneration of the starting materials. A mechanism is proposed based on DFT calculations, along with a computational study of the unusual MOLPs.
Peapod‐Type Nanocomposites through the In Situ Growth of Gold Nanoparticles within Preformed Hexaniobate Nanoscrolls
Authors: Adireddy Shiva , Carbo Cecilia E. , Rostamzadeh Taha , Vargas Jose M. , Spinu Leonard , Wiley John B. 
Published: March 2014

AbstractA facile in situ method to grow Au nanoparticles (NPs) in hexaniobate nanoscrolls is applied to the formation of plasmonic Au@hexaniobate and bifunctional plasmonic‐magnetic Au‐Fe3O4@hexaniobate nanopeapods (NPPs). Utilizing a solvothermal treatment, rigid multiwalled hexaniobate nanoscrolls and partially filled Fe3O4@hexaniobate NPPs were first fabricated. These nanostructures were then used as templates for the controlled in situ growth of Au NPs. The resulting peapod structures exhibited high filling fractions and long‐range uniformity. Optical measurements showed a progressive red shift in plasmonic behavior between Au NPs, Au NPPs, and Au‐Fe3O4 NPPs; magnetic studies found that the addition of gold in the Fe3O4@hexaniobate NPPs reduced interparticle coupling effects. The development of this approach allows for the routine bulk preparation of noble‐metal‐containing bifunctional nanopeapod materials.
Multi‐Objective Molecular De Novo Design by Adaptive Fragment Prioritization
Authors: Reutlinger Michael , Rodrigues Tiago , Schneider Petra , Schneider Gisbert 
Published: March 2014

AbstractWe present the development and application of a computational molecular de novo design method for obtaining bioactive compounds with desired on‐ and off‐target binding. The approach translates the nature‐inspired concept of ant colony optimization to combinatorial building block selection. By relying on publicly available structure–activity data, we developed a predictive quantitative polypharmacology model for 640 human drug targets. By taking reductive amination as an example of a privileged reaction, we obtained novel subtype‐selective and multitarget‐modulating dopamine D4 antagonists, as well as ligands selective for the sigma‐1 receptor with accurately predicted affinities. The nanomolar potencies of the hits obtained, their high ligand efficiencies, and an overall success rate of 90 % demonstrate that this ligand‐based computer‐aided molecular design method may guide target‐focused combinatorial chemistry.