bluuebunny/crossref_metadata_2025_split huggingface dataset:
Under‐Fives Child Mortality and Child Abuse‐Related Deaths in the Former USSR: Is there an Under‐Reporting of Abuse‐Related Deaths?
Authors: Pritchard Colin , Mirza Saalim 
Published: October 2014

The study explores the former Union of Soviet Socialist Republics (USSR) countries’ under‐fives child mortality rates (CMR) and child abuse‐related deaths (CARD) since the end of the Soviet Union, and asks whether there has been an ‘under‐reporting’ of CARD? World Health Organization under‐fives mortality rates per million (pm) were extracted for 1988–90 and compared with 2008–10 for CMR and confirmed and possible CARD.Possible CARD are undetermined deaths (UnD) and ill‐defined signs and symptoms (IDSS) deaths as these categories have been linked to under‐reporting of CARD. CMR and CARD odds ratios were calculated and correlated to determine the possible under‐reporting of CARD. Seven countries met the United Nations International Children's Education Fund (UNICEF) objective of reducing CMR; five halving their previous USSR rate. The Russian CARD rate at 29 pm is the highest, but six countries’ rates were less than ten pm. UnD increased in Kazakhstan 13‐fold, Belarus eight times, Ukraine seven times and Russia more than four times. IDSS deaths trebled in Belarus, and rose more than 25 per cent in Kazakhstan, Georgia and Ukraine. CARD significantly correlated with UnD but not with CMR.Odds ratios of CMR to all three CARD categories were substantial, more than 4.1:1 in Belarus, Kazakhstan, Russia and Ukraine, indicating possible under‐reporting of CARD.Despite CMR improvements, this first‐ever study of the former USSR countries should alert the authorities of Belarus, Kazakhstan, the Russian Federation and Ukraine to the extent of possible child abuse. Copyright © 2014 John Wiley & Sons, Ltd.‘Seven countries met the UNICEF objective of reducing CMRKey Practitioner Messages:This first‐ever study of child mortality and child abuse deaths in the former USSR found improvements in child mortality but unrecognised child protection issues.Child homicides ostensibly fell in every country but Russia.Major rises in undetermined and ill‐defined deaths in Belarus, Kazakhstan, Russia and Ukraine are indicative of under‐reporting but did not occur in the other former USSR countries.There is an urgent need to focus upon violence against children as either child abuse is not recognised, or it is being deliberately ignored.‘Either child abuse is not recognised, or it is being deliberately ignored’
Current Parental Attitudes Towards Upbringing Practices in Finland and Sweden 30 Years after the Ban on Corporal Punishment
Authors: Ellonen Noora , Jernbro Carolina , Janson Staffan , Tindberg Ylva , Lucas Steven 
Published: October 2014

Thirty years have now passed since Sweden and Finland, as the first countries in the world, enacted national legislation against corporal punishment. This study examines the current attitudes towards corporal punishment among Finnish and Swedish parents of newborn to 12‐year‐old children. Differences between the countries in parents’ attitudes towards upbringing practices in relation to socio‐demographic background factors were also analysed. The study was based on identical survey data collected separately in Finland and Sweden in 2011 and later merged for analysis. The survey included questions regarding parental behaviour and attitudes towards upbringing practices. Data were analysed using univariate tests (chi‐2) and logistic regression. The analysis showed that a significantly larger proportion of Finnish parents approved of slapping or hitting their children compared to Swedish parents (OR = 6.20). Swedish parents, on the other hand, approved of shaking more than Finnish parents (OR = 0.54). Furthermore, a larger proportion of Finnish parents had positive attitudes towards non‐violent types of punishments compared to Swedish parents. The socio‐demographic background factors did not explain the differences between the countries. Cultural factors that may plausibly influence these attitudes are discussed. Copyright © 2014 John Wiley & Sons, Ltd.Key Practitioner Messages:

Even in countries with a long‐standing ban on corporal punishment of children, there is reason to elucidate parents’ attitudes.
It is important to understand cultural factors, especially views on violent behaviour.
Even when a majority of parents have some knowledge about children's rights, its full meaning needs to be promoted through a general programme.
Preventive work against corporal punishment needs to take parents’ attitudes into account.
Children's right to a non‐violent childhood should be advocated at all levels of society.
‘A significantly larger proportion of Finnish parents approved of slapping or hitting their children compared to Swedish parents’‘Children's right to a non‐violent childhood should be advocated at all levels of society’
Synthesis of LiNi0.5Mn1.5O4 Hollow Microspheres and Their Lithium‐Storage Properties
Authors: Luo Haifeng , Nie Ping , Shen Laifa , Li Hongshen , Deng Haifu , Zhu Yaoyao , Zhang Xiaogang 
Published: October 2014

AbstractHigh‐voltage LiNi0.5Mn1.5O4 hollow microspheres have been synthesized through a facile solid‐state method. X‐ray diffraction and scanning electron microscopy results reveal that the as‐prepared LiNi0.5Mn1.5O4 microspheres are constructed with nanometer‐sized primary particles. The effects of the precursors on the morphologies and electrochemical properties of LiNi0.5Mn1.5O4 materials are systematically investigated. Electrochemical test results demonstrate that the materials with large porosity and smaller second particles exhibit higher reversible capacity as well as better cycle stability and rate capacities. LiNi0.5Mn1.5O4 prepared from MnCO3 precursors delivers high reversible capacities of 135.5, 147.5, and 132.1 mAh g−1 at 0.1, 0.5, and 2 C, respectively. Even at a high rate of 5 C, the electrode retains 93.4 % of the initial capacity at 0.1 C. Moreover, the electrode shows excellent cycle stability with a discharge capacity of 110 mAh g−1 at 1 C after 80 cycles at elevated temperature. The extremely attractive electrochemical properties are closely related to the unique structure and chemistry of the synthesized material.
Enhancing the Electrochemical and Electronic Performance of CVD‐Grown Graphene by Minimizing Trace Metal Impurities
Authors: Iost Rodrigo M. , Crespilho Frank N. , Zuccaro Laura , Yu Hak Ki , Wodtke Alec M. , Kern Klaus , Balasubramanian Kannan 
Published: October 2014

AbstractThe presence of unwanted impurities in graphene is known to have a significant impact on its physical and chemical properties. Similar to carbon nanotubes, any trace metals present in graphene will affect the electrocatalytic properties of the material. Here, we show by direct electroanalysis that traces of copper still remain in transferred CVD (chemical vapor deposition)‐grown graphene (even after the usual copper etching process) and strongly influence its electrochemical properties. Subsequently, we use a real‐time electrochemical etching procedure to remove more than 90 % of the trace metal impurities, with a clear improvement in both the electrochemical and electronic‐transport properties of monolayer graphene.
Aromaticity and Stability of Azaborines
Authors: Baranac‐Stojanović Marija 
Published: October 2014

AbstractThe influence of the relative boron and nitrogen positions on aromaticity of the three isomeric 1,2‐, 1,3‐, and 1,4‐azaborines has been investigated by computing the extra cyclic resonance energy, NICS(0)πzz index and by visualizing the π‐electron (de)shielding pattern as a response of the π system to a perpendicular magnetic field. The origin of the known stability trend, in which the 1,2‐/1,3‐isomer is the most/least stable, was examined by using an isomerization energy decomposition analysis. The 1,3‐arrangement of B and N atoms creates a charge separation in the π‐electron system, which was found to be responsible for the lowest stability of 1,3‐azaborine. This charge separation can, in turn, be considered as a driving force for the strongest cyclic π‐electron delocalization, making this same isomer the most aromatic. Despite the well‐known fact that the BN bond attenuates electron delocalization due to large electronegativity difference between the atoms, the 1,4‐B,N relationship reduces aromaticity to a greater extent by making the π‐electron delocalization more one‐directional (from N to B) than cyclic. Thus, 1,4‐azaborine was found to be the least aromatic. Its lower stability with respect to the 1,2‐isomer was explained by the larger exchange repulsion.
The ortho‐Substituent Effect on the Ag‐Catalysed Decarboxylation of Benzoic Acids
Authors: Grainger Rachel , Cornella Josep , Blakemore David C. , Larrosa Igor , Campanera Josep M. 
Published: October 2014

AbstractA combined experimental and computational investigation on the Ag‐catalysed decarboxylation of benzoic acids is reported herein. The present study demonstrates that a substituent at the ortho position exerts dual effects in the decarboxylation event. On one hand, ortho‐substituted benzoic acids are inherently destabilised starting materials compared to their meta‐ and para‐substituted counterparts. On the other hand, the presence of an ortho‐electron‐withdrawing group results in an additional stabilisation of the transition state. The combination of both effects results in an overall reduction of the activation energy barrier associated with the decarboxylation event. Furthermore, the Fujita–Nishioka linear free energy relationship model indicates that steric bulk of the substituent can also exert a negative effect by destabilising the transition state of decarboxylation.
Current Status on Plastic Scintillators Modifications
Authors: Bertrand Guillaume H. V. , Hamel Matthieu , Sguerra Fabien 
Published: October 2014

AbstractRecent developments of plastic scintillators are reviewed, from 2000 to March 2014, distributed in two different chapters. First chapter deals with the chemical modifications of the polymer backbone, whereas modifications of the fluorescent probe are presented in the second chapter. All examples are provided with the scope of detection of various radiation particles. The main characteristics of these newly created scintillators and their detection properties are given.
Dramatic Shape Modulation of Surfactant/Diacetylene Microstructures at the Air–Water Interface
Authors: Jiang Hao , Jelinek Raz 
Published: October 2014

AbstractLangmuir monolayers constitute a powerful platform for self‐assembly and organization of amhiphilic molecules. Controlling the structural features of condensed domains formed within Langmuir monolayers, however, is a challenging task. The formation of remarkably diverse condensed microstructures is demonstrated in binary monolayers comprising of a surfactant (octadecylmelamine) and a diacetylene monomer. The mole ratio between the two constituents and composition of the aqueous subphases (specifically pH and which dissolved metal ions are present) dramatically modulated the shapes and dimensions of microstructures formed at the air–water interface. The self‐assembled microstructures could be transferred from the water surface onto solid substrates, and subsequently further served as templates for gold coating, yielding electrically conductive microwires.
Imidazolo‐dC Metal‐Mediated Base Pairs: Purine Nucleosides Capture Two Ag+ Ions and Form a Duplex with the Stability of a Covalent DNA Cross‐Link
Authors: Mei Hui , Ingale Sachin A. , Seela Frank 
Published: October 2014

Abstract8‐Phenylimidazolo‐dC (phImidC, 2) forms metal‐mediated DNA base pairs by entrapping two silver ions. To this end, the fluorescent “purine” 2′‐deoxyribonucleoside 2 has been synthesised and converted into the phosphoramidite 6. Owing to the ease of nucleobase deprotonation, the new Ag+‐mediated base pair containing a “purine” skeleton is much stronger than that derived from the pyrrolo‐ [3,4‐d]pyrimidine system (phPyrdC, 1). The silver‐mediated phImidC–phImidC base pair fits well into the DNA double helix and has the stability of a covalent cross‐link. The formation of such artificial metal base pairs might not be limited to DNA but may be applicable to other nucleic acids such as RNA, PNA and GNA as well as other biopolymers.
Lewis and Brønsted Acid Cocatalyzed Reductive Deoxyallenylation of Propargylic Alcohols with 2‐Nitrobenzenesulfonylhydrazide
Authors: Liu Zhaohong , Liao Peiqiu , Bi Xihe 
Published: October 2014

AbstractReductive deoxyallenylation of sterically hindered tertiary propargylic alcohols was realized on reaction with 2‐nitrobenzenesulfonylhydrazide (NBSH) by the combined use of Lewis and Brønsted acid catalysts. This method features a broad substrate scope, mild reaction conditions, and good functional‐group tolerance, and affords various mono‐, di‐, and trisubstituted allenes in good‐to‐excellent yields. The synthetic utility of this method was demonstrated by the synthesis of 2H‐chromenes and 1,2‐dihydroquinolines.
Template‐Free Synthesis of Core–Shell TiO2 Microspheres Covered with High‐Energy {116}‐Facet‐Exposed N‐Doped Nanosheets and Enhanced Photocatalytic Activity under Visible Light
Authors: Chen Qifeng , Ren Baosheng , Zhao Yubao , Xu Xun , Ge Heyi , Guan Ruifang , Zhao Jincai 
Published: October 2014

AbstractCore–shell TiO2 microspheres possess a unique structure and interesting properties, and therefore, they have received much attention. The high‐energy facets of TiO2 also are being widely studied for the high photocatalytic activities they are associated with. However, the synthesis of the core–shell structure is difficult to achieve and requires multiple‐steps and/or is expensive. Hydrofluoric acid (HF), which is highly corrosive, is usually used in the controlling high‐energy facet production. Therefore, it is still a significant challenge to develop low‐temperature, template‐free, shape‐controlled, and relative green self‐assembly routes for the formation of core–shell‐structured TiO2 microspheres with high‐energy facets. Here, we report a template‐ and hydrofluoric acid free solvothermal self‐assembly approach to synthesize core–shell TiO2 microspheres covered with high‐energy {116}‐facet‐exposed nanosheets, an approach in which 1,4‐butanediamine plays a key role in the formation of nanosheets with exposed {116} facets and the doping of nitrogen in situ. In the structure, nanoparticle aggregates and nanosheets with {116} high‐energy facets exposed act as core and shell, respectively. The photocatalytic activity for degradation of 2,4,6‐tribromophenol and Rhodamine B under visible irradiation and UV/Vis irradiation has been examined, and improved photocatalytic activity under visible light owing to the hierarchical core–shell structure, {116}‐plane‐oriented nanosheets, in situ N doping, and large surface areas has been found.
Inclusion of Two Different Guest Molecules within a Rationally Designed Macrocyclic Boronic Ester in Organic Solvent
Authors: Kikuchi Yuji , Ono Kosuke , Johmoto Kohei , Uekusa Hidehiro , Iwasawa Nobuharu 
Published: October 2014

AbstractThe inclusion of two different guest molecules in a macrocyclic boronic ester in organic solvent utilizing only π‐stacking interactions has been successfully realized. For this purpose, a new tetrol which has an appropriate distance between two 1,2‐diol units for the inclusion of two aromatic molecules is designed and synthesized. Simple mixing of the new tetrol with 2,7‐pyrenediboronic acid in the presence of pyrene‐4,5‐quinone efficiently affords the desired macrocyclic boronic ester, which is found by 1H NMR spectroscopy, ESI‐MS, and isothermal titration calorimetry studies to include one molecule each of a dinitronaphthalimide derivative and pyrene. Furthermore, inclusion of two planar molecules within the macrocyclic boronic ester is revealed by X‐ray analysis.
Unlocking the pH‐Responsive Degradability of Fumaramic Acid Derivatives Using Photoisomerization
Authors: Choi Wonmin , Kang Sunyoung , Mok Yeongbong , Park Euddeum , Song Youngjun , Choi So Jung , Lee Yan 
Published: October 2014

AbstractFumaramic acid derivatives can be converted into their cis isomer maleamic acid derivatives under UV illumination, and these maleamic acid derivatives show pH‐responsive degradability at acidic pH only after the preceding photoisomerization. The rate of the tandem photoisomerization–degradation of fumaramic acid derivatives can be finely controlled by changing the substituents on the double bond. Photoisomerization‐based unlocking of the pH‐responsive degradability of fumaramic acid derivatives has strong potential for the development of multisignal‐responsive smart materials in biomedical applications.
System with Potential Dual Modes of Metal–Ligand Cooperation: Highly Catalytically Active Pyridine‐Based PNNH–Ru Pincer Complexes
Authors: Fogler Eran , Garg Jai Anand , Hu Peng , Leitus Gregory , Shimon Linda J. W. , Milstein David 
Published: October 2014

AbstractMetal–ligand cooperation (MLC) plays an important role in catalysis. Systems reported so far are generally based on a single mode of MLC. We report here a system with potential for MLC by both amine–amide and aromatization–dearomatization ligand transformations, based on a new class of phosphino–pyridyl ruthenium pincer complexes, bearing sec‐amine coordination. These pincer complexes are effective catalysts under unprecedented mild conditions for acceptorless dehydrogenative coupling of alcohols to esters at 35 °C and hydrogenation of esters at room temperature and 5 atm H2. The likely actual catalyst, a novel, crystallographically characterized monoanionic de‐aromatized enamido–RuII complex, was obtained by deprotonation of both the NH and the methylene proton of the N‐arm of the pincer ligand.
Identification of Structural Features of 2‐Alkylidene‐1,3‐Dicarbonyl Derivatives that Induce Inhibition and/or Activation of Histone Acetyltransferases KAT3B/p300 and KAT2B/PCAF
Authors: Castellano Sabrina , Milite Ciro , Feoli Alessandra , Viviano Monica , Mai Antonello , Novellino Ettore , Tosco Alessandra , Sbardella Gianluca 
Published: October 2014

AbstractDysregulation of the activity of lysine acetyltransferases (KATs) is related to a variety of diseases and/or pathological cellular states; however, their role remains unclear. Therefore, the development of selective modulators of these enzymes is of paramount importance, because these molecules could be invaluable tools for assessing the importance of KATs in several pathologies. We recently found that diethyl pentadecylidenemalonate (SPV106) possesses a previously unobserved inhibitor/activator activity profile against protein acetyltransferases. Herein, we report that manipulation of the carbonyl functions of a series of analogues of SPV106 yielded different activity profiles against KAT2B and KAT3B (pure KAT2B activator, pan‐inhibitor, or mixed KAT2B activator/KAT3B inhibitor). Among the novel compounds, a few derivatives may be useful chemical tools for studying the mechanism of lysine acetylation and its implications in physiological and/or pathological processes.
Size‐Induced Chiral Discrimination Switching by (S)‐(−)‐2(α‐Hydroxyethyl)Benzimidazole‐Derived Azacrowns
Authors: Pandey Anita D. , Mohammed Hasan , Pissurlenkar Raghuvir R. S. , Karnik Anil V. 
Published: October 2014

Abstract(S)‐(−)‐2‐(α‐Hydroxyethyl)benzimidazole (1)‐derived diastereomeric monoaza‐[18]crown‐6 compounds 5 and 6 were synthesised with an additional chiral centre bearing a phenyl ring. The aim was to achieve enhanced enantioselective discrimination, compared with monoaza‐[15]crown‐5 (7). Surprisingly, reversal of enantioselective binding for chiral guest enantiomers between the two differently sized [15]crown‐5 and [18]crown‐6 azacrowns were discovered; all three were prepared from the same parent compound, 1. To complete the observations, another [18]crown‐6‐sized azacrown (10) without an additional chiral centre was synthesised from 1 and screened for its enantioselective binding abilities towards the chiral guest enantiomers investigated; these results corroborated the observations. Single‐crystal XRD analysis and molecular docking studies revealed that changes to the conformational aspects of [18]crown‐6 and [15]crown‐5 azacrowns were the major contributing factors to this peculiar behaviour.
Synthesis, Characterisation and Modelling of a Ferromagnetically Coupled Chromium(III) Dimer: Di‐μ‐hydroxobis[tetrakis(isothiocyanato)chromate(III)]
Authors: Morsing Thorbjørn J. , Weihe Høgni , Bendix Jesper 
Published: October 2014

AbstractA rare example of a ferromagnetically coupled dinuclear chromium(III) complex, the di‐μ‐hydroxobis[tetrakis(isothiocyanato)chromate(III)] anion, is reported. This complex has been synthesised from the oxo‐bridged acetonitrile complex [(CH3CN)5CrOCr(NCCH3)5](BF4)4 and isolated as the solvated tetraphenylphosphonium salt, (Ph4P)4[(SCN)4Cr(OH)2Cr(NCS)4]·2CH3CN (1). From magnetometry the coupling constant, J, was determined to be –5.17 cm–1 (in an H = JSA·SB scheme). The X‐band EPR spectra were measured in the temperature range 2–305 K and the data were modelled. The spectra, which are very rich, are the first reported for a ferromagnetically coupled Cr‐diol, and they allow for detailed modelling that encompasses zero‐field splittings (ZFS) and fourth‐order spin‐Hamiltonian parameters for the coupled system. The structural parameters that determine the magnitude and sign of the exchange coupling were studied with broken‐symmetry DFT. These results are discussed in terms of and compared to existing angular overlap model (AOM)‐based magneto‐structural correlations. This furnishes qualitative as well as quantitative insight into the coupling mechanisms.
Synthesis and Structural Characterization of 2:1 [α/Aza]‐oligomers
Authors: Zhou Zhou , Deng Cheng , Abbas Cécile , Didierjean Claude , Averlant‐Petit Marie‐Christine , Bodiguel Jacques , Vanderesse Régis , Jamart‐Grégoire Brigitte 
Published: October 2014

AbstractThe design of a new β‐turn inducer is correlated to the discovery of new foldamers. In this paper, we report the liquid phase synthesis of 2:1 [α/aza]‐oligomers using a convergent Boc strategy. The NMR, FTIR, restrained molecular dynamics and X‐ray diffraction analyses show that 2:1 [α/aza]‐oligomers adopt a C=O(i)···H–N(i + 2) hydrogen‐bonded helical conformation.
Antibacterial Drug Release Electrochemically Stimulated by the Presence of Bacterial Cells – Theranostic Approach
Authors: Gamella Maria , Guz Nataliia , Mailloux Shay , Pingarrón José M. , Katz Evgeny 
Published: October 2014

AbstractA modified electrode with bioaffinity to E. coli bacterial cells was used to detect bacteria presence on its surface and to produce an electrical signal triggering antibacterial drug release from another coupled electrode. The Sense‐and‐Treat system was realized in two different versions and suggested as the first step to future theranostic applications where bacteria presence results in automatic antibacterial treatment.