bluuebunny/crossref_metadata_2025 huggingface dataset:
Trend-Tracking Trading Strategy Based on Improved RSI: A Case Study of Chinese CSI 300 Stock Index Futures
Authors: Ma Jishan , Liao Hongyan
Published: July 2017

In European and American developed countries, quantitative trading is gradually replacing artificial transactions to occupy an important position in the market, and their daily turnover in the market is particularly evident. China securities market and derivatives market started late, and have a relatively obvious difference from abroad, especially in Western countries, in the level of quantitative transactions in mature capital markets. With the improvement of China’s market trading varieties, China’s quantization will develop very rapidly. In this paper, according to the characteristics of China’s CSI 300 Index Futures, we improve trend-tracking trading model based on the improved RSI. Firstly, we apply the wavelet transform for denoising of the price series, then improve RSI, and use the improved RSI and the denoised price series to establish an exit strategy and approach strategy. The strategy is excellent in practical application. In 1 minute K-line data back-test of CSI 300 index futures from 2010 to 2012, the return on invest has reached up to 102 million Yuan, and the ROI risk ratio is 2.61.
The fossil Osmundales (Royal Ferns)—a phylogenetic network analysis, revised taxonomy, and evolutionary classification of anatomically preserved trunks and rhizomes
Authors: Bomfleur Benjamin , Grimm Guido W. , McLoughlin Stephen
Published: July 2017

The Osmundales (Royal Fern order) originated in the late Paleozoic and is the most ancient surviving lineage of leptosporangiate ferns. In contrast to its low diversity today (less than 20 species in six genera), it has the richest fossil record of any extant group of ferns. The structurally preserved trunks and rhizomes alone are referable to more than 100 fossil species that are classified in up to 20 genera, four subfamilies, and two families. This diverse fossil record constitutes an exceptional source of information on the evolutionary history of the group from the Permian to the present. However, inconsistent terminology, varying formats of description, and the general lack of a uniform taxonomic concept renders this wealth of information poorly accessible. To this end, we provide a comprehensive review of the diversity of structural features of osmundalean axes under a standardized, descriptive terminology. A novel morphological character matrix with 45 anatomical characters scored for 15 extant species and for 114 fossil operational units (species or specimens) is analysed using networks in order to establish systematic relationships among fossil and extant Osmundales rooted in axis anatomy. The results lead us to propose an evolutionary classification for fossil Osmundales and a revised, standardized taxonomy for all taxa down to the rank of (sub)genus. We introduce several nomenclatural novelties: (1) a new subfamily Itopsidemoideae (Guaireaceae) is established to containItopsidema,Donwelliacaulis, andTiania; (2) the thamnopteroid generaZalesskya,Iegosigopteris, andPetcheropterisare all considered synonymous withThamnopteris; (3) 12 species ofMillerocaulisandAshicaulisare assigned to modern genera (tribe Osmundeae); (4) the hitherto enigmaticAurealcaulisis identified as an extinct subgenus ofPlenasium; and (5) the poorly knownOsmundites tuhajkulensisis assigned toMillerocaulis. In addition, we considerMillerocaulis stipabonettioruma possible member ofPalaeosmundaandMillerocaulis estipularisas probably constituting the earliest representative of the (Todea-)Leptopterislineage (subtribe Todeinae) of modern Osmundoideae.
Distribuição dos casos de hanseníase com incapacidade física no estado da Paraíba de 2001 a 2011 The distribution of leprosy cases with physical disability in the state of Paraiba, Brazil, from 2001 to 2011
Authors: Nascimento Rosa Emília Malta Uchôa , Brito Karen Krystine Gonçalves de , Santana Emanuelle Malzac Freire de , Silva Miriam Alves da , Oliveira Simone Helena dos Santos , Soares Maria Júlia Guimarães Oliveira
Published: July 2017

Objetivo: Identificar o padrão espacial da ocorrência de incapacidades físicas por hanseníase no estado da Paraíba, entre os anos de 2001 a 2011. Métodos: Realizou-se um estudo ecológico, retrospectivo, de base documental, que apresenta como unidade de análise as microrregiões do estado da Paraíba, a partir de dados agregados. Foram analisados 3.408 casos de hanseníase com incapacidade física, e sua distribuição a partir da construção de tabelas e mapa temático. Resultados: Os resultados evidenciaram altas taxas de detecção de casos com grau de incapacidade física I ou II nas microrregiões de Cajazeiras, Guarabira, Esperança, Itaporanga, João Pessoa e Seridó Oriental. Apenas a microrregião do Seridó Ocidental não teve registro de casos. Conclusão: Sugere-se com este estudo que há uma maior necessidade de vigilância nas áreas endêmicas da Paraíba com o intuito de enfatizar as ações de saúde para estas regiões.
O papel da atenção primária de saúde na constituição das redes de cuidado em saúde mental The role of primary attention in health on the constitution of the network care in mental health
Authors: Bezerra Barbosa Valquiria FARIAS , Cavalcanti Anielly , Alcântara Maria Clara de Araújo , Pedroza Robervam de Moura , Ferreira Shimmeny Hilka Vasconcelos
Published: July 2017

Objetivo: Caracterizar as práticas e estratégias de Cuidado à Saúde Mental desenvolvidas pelas equipes de atenção primária área urbana, Pesqueira, PE. Métodos: Estudo descritivo, exploratório, de abordagem qualitativa, desenvolvido mediante entrevistas semiestruturadas com profissionais de saúde e usuários da rede de atenção primária à saúde. Protocolo de pesquisa aprovado pela CONEP com CAAE 33110114.5.0000.5203. Resultados: Os usuários com transtorno mental e/ou sofrimento psíquico são atendidos, principalmente, nas unidades de saúde da família e unidades básicas de saúde, sendo, então, referenciados para o CAPS. As estratégias e práticas de Cuidado em saúde mental variam de acordo com a experiência de cada profissional e são centradas na consulta médica, prescrição e controle da medicação. Conclusão: Devido à recente implantação do CAPS, a rede de atenção psicossocial do município apresenta problemas de estruturação e coligação entre os diferentes pontos de assistência, a exemplo da dificuldade de estabelecimento de fluxo de referência e contra-referência.
Fatores que influenciam a escolha do tipo de parto na percepção das puérperas Factors that influence the choice of birth type regarding the perception of puerperal women
Authors: Feitosa Rubia Mara Maia , Pereira Ruana Daniela , Souza Tamara Jéssica Costa de Paula , Freitas Rodrigo Jácob Moreira de , Cabral Sarah Azevedo Rodrigues , Souza Lázaro Fabrício de França
Published: July 2017

Objetivo: Compreender, a partir da percepção das puérperas, os fatores que influenciam na escolha ao tipo de parto. Métodos: Trata-se de uma pesquisa do tipo qualitativo e descritivo, realizado no Hospital da Mulher Parteira Maria Correia, município de Mossoró/RN. Foram entrevistadas 14 parturientes. Os dados foram analisados de acordo com a Técnica do Discurso do Sujeito Coletivo. A pesquisa foi submetida ao Comité de Ética em Pesquisa da Universidade Potiguar, aprovado, sob o número do CAAE: 38520214.0.0000.5296. Resultados: As puérperas apontam o desejo de um parto sem intercorrências e com recuperação rápida. São significativas as influências do “medo da dor” e das experiências individuais e de outras mulheres para a escolha da via de parto. Conclusão: Ressalta-se a relevância do acesso ao pré-natal de qualidade, com ações que proporcionem escolhas seguras, esclarecendo dúvidas e anseios da futura mãe, tranquilizando-a para o momento do parto. Descritores: Mulheres, Parto, Hospital.
Autoestima e fatores associados às condições sociais em idosos Self esteem and factors associated with social conditions in the elderly
Authors: Meira Saulo Sacramento , Vilela Alba Benemérita Alves , Casotti Cezar Augusto , Da Silva Doane Martins
Published: July 2017

Objetivo: avaliar a autoestima e sua associação com as condições sociais em idosos corresidentes no Vale do Jequitinhonha, Minas Gerais. Métodos: Estudo epidemiológico, tipo inquérito domiciliar de base populacional, realizado com 279 idosos, residentes na zona urbana e rural do município de Salto da Divisa-MG, sem déficit cognitivo segundo critérios do Mini Exame do Estado Mental. Para obter os dados utilizou-se a Escala de Autoestima de Rosenberg e o questionário Brazil Old Age Schedule. Os dados foram tabulados e analisados no SPSS®. Para verificar a associação utilizou-se o teste do qui-quadrado de Pearson (X2), com nível de significância de 5%. Resultados: Quanto a autoestima, 22,9% apresentaram alta, 69,5% normal e 7,5% baixa autoestima. Diferenças significativas foram identificadas entre a autoestima e as variáveis escolaridade (p=0,005) e satisfação com os coabitantes (p=0,048). Conclusão: Na população pesquisada, possuir escolaridade e as relações interpessoais em domicílio se configurou como fatores protetores para a boa autoestima.
A vivência de enfermeiras na condição de familiar acompanhante The experience of nurses as an accompanying family member
Authors: Flores Rosiele Gomes , Beuter Margrid , Leite Marinês Tambara , Venturini Larissa , Casarolli Ana Cristina Geiss , Bruinsma Jamile Lais
Published: July 2017

Objetivo: Descrever a vivência de enfermeiros na condição de familiar acompanhante de paciente hospitalizado. Métodos: Estudo qualitativo realizado com nove enfermeiras que atuam em um hospital público e de ensino, na região Sul, do Brasil. Os dados foram produzidos por meio de Dinâmicas de Criatividade e Sensibilidade e analisados seguindo os pressupostos da análise de discurso, em sua corrente francesa. Resultados: Da análise dos dados produzidos emergiram os temas: O conhecimento profissional como fator interveniente: da frustração ao enfrentamento; ser enfermeiro, estar na condição de acompanhante e a tomada de decisões; e os desafios do enfermeiro na condição de acompanhante. Conclusão: A vivência como familiar acompanhante repercutiu ambiguidades ao “eu profissional e o “eu familiar”, suscitando ponderações tanto na vida profissional quanto na pessoal das enfermeiras, o que desencadeou reflexões e modificações em suas práxis.
Aplicabilidade das ações preconizadas pelo método canguru Share applicability recommended by kangaroo method
Authors: Stelmak Alessandra Patricia , Freire Márcia Helena de Souza
Published: July 2017

Objetivo:Identificar a prevalência das ações preconizadas pelo MC, na prática de cuidados ao recém-nascido pré-termo e/ou baixo peso, pela equipe de enfermagem de uma unidade de terapia intensiva neonatal que é referência estadual para o MC. Método: Pesquisa descritiva quantitativa, realizada através da aplicação de um questionário estruturado com 37 profissionais de enfermagem de nível médio, em Unidade de Terapia Intensiva Neonatal, de fevereiro a abril de 2014. Resultados: o acolhimento, o incentivo ao toque, o aleitamento materno e o controle ambiental são as ações mais executadas pela equipe, apresentando cada uma 97% de aplicabilidade prática, e como ações menos executadas, a troca de fralda em decúbito lateral (83%), e o banho envolto em cueiros (58%). Conclusão: Esta equipe realiza as ações humanizadas de cuidado conforme preconizados pelo MC, e compreende a importância desses cuidados para o desenvolvimento infantil dos recém-nascidos. Existe necessidade de processo de educação permanente em serviço.
Internações por condições sensíveis à atenção primária após a implantação da estratégia saúde da família no município de Petrópolis/RJ Hospitalizations due to primary care sensitive conditions after family health strategy implementation on Petrópolis/RJ
Authors: Scudese Camilla Zarlotti , Scudese Estêvão , Senna Gilmar Weber , Tonini Teresa , Lopes Taís , Pestana Carlos
Published: July 2017

Objetivo: Quantificar as internações por condições sensíveis à atenção primária (ICSAP), comparando-as com a taxa bruta de internações e analisar sua frequência junto à cobertura do Programa Saúde da Família (PSF) em Petrópolis-RJ. Métodos: Após consulta no SIH-SUS, obteve-se a taxa bruta de ICSAP entre 1999-2013. Foi estabelecida a razão entre a soma destas internações e o número de residentes no município, multiplicado por mil. O coeficiente de correlação de Pearson foi utilizado para a análise de correlação entre as variáveis. Resultados: Houve redução de 54,4% nas ICSAP no período estudado. Observamos uma redução das CSAP sobre o total de internações de 19,9%, para 16,5%. A redução na taxa de ICSAP apresentou forte correlação com o aumento da cobertura do PSF. Conclusão: As mudanças ocorridas são significativas e estimulam o aprofundamento do estudo da eficácia das estratégias como o PSF sobre a redução das ICSAP em diferentes municípios. Descritores: Saúde Pública; Atenção Primária à Saúde; Estratégia Saúde da Família; Planos e Programas de Saúde; Avaliação de Programas e Projetos de Saúde; Hospitalização.
Ficha de avaliação clínica de membros inferiores para prevenção do pé diabético Clinical evaluation form of lower members for diabetic foot prevention
Authors: Mello Rodrigo da Fontoura de Albuquerque , Pires Maria Lúcia Elias , Kede Jorge
Published: July 2017

Objetivo: Elaborar ficha de avaliação clínica (FAC) dos membros inferiores (MIs) para prevenção do pé diabético (PD). Métodos: Partindo de revisão da literatura, elaborou-se uma FAC com 4 fases: as fases1 e 2contemplam o exame clínico (anamnese e exame físico, respectivamente) com ênfase na avaliação dos pés e na pesquisa de  fatores de risco para úlceras; a fase 3  avalia o autocuidado com os pés e a  fase 4 descreve as principais orientações para este cuidado. Resultados: Após a realização das fases 1 e 2  segueuma classificação de risco de ulceração dos pés. A fase 3 avalia com dez questões os cuidados com os pés e a  fase 4 apresentadez orientações educacionais para prevenção do PD. Conclusão: A FAC proposta possibilita detectar e intervir precocemente no risco de ulceração nos pés. Descritores: Pé diabético, Neuropatia diabética, Doença vascular periférica, Prevenção, Cuidado com os pés
Hsp70 – a master regulator in protein degradation
Authors: Fernández‐Fernández María Rosario , Gragera Marcos , Ochoa‐Ibarrola Lissette , Quintana‐Gallardo Lucía , Valpuesta José María
Published: July 2017

Proteostasis, the controlled balance of protein synthesis, folding, assembly, trafficking and degradation, is a paramount necessity for cell homeostasis. Impaired proteostasis is a hallmark of ageing and of many human diseases. Molecular chaperones are essential for proteostasis in eukaryotic cells, and their function has traditionally been linked to protein folding, assembly and disaggregation. More recent findings suggest that chaperones also contribute to key steps in protein degradation. In particular, Hsp70 has an essential role in substrate degradation through the ubiquitin–proteasome system, as well as through different autophagy pathways. Accumulated knowledge suggests that the fate of an Hsp70 substrate is dictated by the combination of partners (cochaperones and other chaperones) that interact with Hsp70 in a given cell context.
Passive remote sensing of altitude and optical depth of dust plumes using the oxygen A and B bands: First results from EPIC/DSCOVR at Lagrange‐1 point
Authors: Xu Xiaoguang , Wang Jun , Wang Yi , Zeng Jing , Torres Omar , Yang Yuekui , Marshak Alexander , Reid Jeffrey , Miller Steve
Published: July 2017

We presented an algorithm for inferring aerosol layer height (ALH) and optical depth (AOD) over ocean surface from radiances in oxygen A and B bands measured by the Earth Polychromatic Imaging Camera (EPIC) on the Deep Space Climate Observatory (DSCOVR) orbiting at Lagrangian‐1 point. The algorithm was applied to EPIC imagery of a 2 day dust outbreak over the North Atlantic Ocean. Retrieved ALHs and AODs were evaluated against counterparts observed by Cloud‐Aerosol Lidar with Orthogonal Polarization (CALIOP), Moderate Resolution Imaging Spectroradiometer, and Aerosol Robotic Network. The comparisons showed 71.5% of EPIC‐retrieved ALHs were within ±0.5 km of those determined from CALIOP and 74.4% of EPIC AOD retrievals fell within a ± (0.1 + 10%) envelope of MODIS retrievals. This study demonstrates the potential of EPIC measurements for retrieving global aerosol height multiple times daily, which are essential for evaluating aerosol profile simulated in climate models and for better estimating aerosol radiative effects.
Relativistic electron dynamics produced by azimuthally localized poloidal mode ULF waves: Boomerang‐shaped pitch angle evolutions
Authors: Hao Y. X. , Zong Q.‐G. , Zhou X.‐Z. , Rankin R. , Chen X. R. , Liu Y. , Fu S. Y. , Spence H. E. , Blake J. B. , Reeves G. D.
Published: July 2017

We present an analysis of “boomerang‐shaped” pitch angle evolutions of outer radiation belt relativistic electrons observed by the Van Allen Probes after the passage of an interplanetary shock on 7 June 2014. The flux at different pitch angles is modulated by Pc5 waves, with equatorially mirroring electrons reaching the satellite first. For 90° pitch angle electrons, the phase change of the flux modulations across energy exceeds 180° and increasingly tilts with time. Using estimates of the arrival time of particles of different pitch angles at the spacecraft location, a scenario is investigated in which shock‐induced ULF waves interact with electrons through the drift resonance mechanism in a localized region westward of the spacecraft. Numerical calculations on particle energy gain with the modified ULF wavefield reproduce the observed boomerang stripes and modulations in the electron energy spectrogram. The study of boomerang stripes and their relationship to drift resonance taking place at a location different from the observation point adds new understanding of the processes controlling the dynamics of the outer radiation belt.
Electron dynamics surrounding the X line in asymmetric magnetic reconnection
Authors: Zenitani Seiji , Hasegawa Hiroshi , Nagai Tsugunobu
Published: July 2017

Electron dynamics surrounding the X line in magnetopause‐type asymmetric reconnection is investigated using a two‐dimensional particle‐in‐cell simulation. We study electron properties of three characteristic regions in the vicinity of the X line. The fluid properties, velocity distribution functions (VDFs), and orbits are studied and cross‐compared. On the magnetospheric side of the X line, the normal electric field enhances the electron meandering motion from the magnetosheath side. The motion leads to a crescent‐shaped component in the electron VDF, in agreement with recent studies. On the magnetosheath side of the X line, the magnetic field line is so stretched in the third dimension that its curvature radius is comparable with typical electron Larmor radius. The electron motion becomes nonadiabatic, and therefore the electron idealness is no longer expected to hold. Around the middle of the outflow regions, the electron nonidealness is coincident with the region of the nonadiabatic motion. Finally, we introduce a finite‐time mixing fraction (FTMF) to evaluate electron mixing. The FTMF marks the magnetospheric side of the X line, where the nonideal energy dissipation occurs.
Generation of parallel and quasi‐perpendicular EMIC waves and mirror waves by fast magnetosonic shocks in the solar wind
Authors: Lee K. H.
Published: July 2017

This paper presents a simulation study on the generation of electromagnetic ion cyclotron (EMIC) waves and mirror waves associated with fast magnetosonic shocks in the solar wind or the bow shock ahead of the magnetosphere. Strong fast magnetosonic shocks are often observed in these regions. In the shock downstream region, hydrogen ions (H+) and helium ions (He++) are strongly heated to high ion beta and large temperature anisotropy. The helium ions have a bunch distribution in the perpendicular velocity phase space in the immediate downstream region. These conditions can lead to generation of strong EMIC waves and mirror waves, which are often identified in satellite observations. In the simulations with a background magnetic field being in the simulation plane, the dominant EMIC waves are left‐handed polarized and propagate parallel to the background field. The nearly perpendicular (~85°) EMIC waves of right‐handed polarization excited at large wave numbers (kVA1/ΩH1 ≈ 3) show weak but nonnegligible wave energy. The effect of minor helium ions on wave excitation is found to be small. Mirror waves grow to large amplitudes when both the downstream ion beta and temperature anisotropy are high. Various wave modes are identified by ω − k dispersion analysis. For the cases with a background magnetic field making a large angle with the simulation plane, the mirror waves dominate, and nonlinear coalescence of mirror waves is clearly observed downstream.
Purely Organic Dyes with Thermally Activated Delayed Fluorescence—A Versatile Class of Indicators for Optical Temperature Sensing
Authors: Steinegger Andreas , Klimant Ingo , Borisov Sergey M.
Published: July 2017

Carbazole‐substituted dicyanobenzenes and anthraquinone based intramolecular charge‐transfer dyes, two classes of organic thermally activated delayed fluorescence (TADF) emitters developed for organic light‐emitting diode (OLED) technology, are prepared and investigated for their suitability for optical oxygen and temperature sensing. The new materials do not offer any improvement compared to the state‐of‐the‐art probes in respect to oxygen sensing. In contrast, due to very high temperature dependency of the TADF decay times, the new dyes are particularly advantageous for optical thermometry. Contrary to many state‐of‐the‐art optical thermometers, the dyes show only moderate decrease of TADF intensity at increased temperatures. The dyes immobilized into a nearly oxygen impermeable poly(vinylidene chloride‐co‐acrylonitrile) matrix feature excellent temperature sensitivity in the investigated temperature range (278–323 K) with 1.4–3.7% K−1 change of TADF lifetime at 298 K. Indicator‐loaded cell penetrating cationic nanoparticles are prepared for biological applications and feature sensitivities from 2.2 to 2.8% K−1 change of TADF lifetime at 298 K. Moreover, fiber‐optic minisensors enable fast monitoring of temperature fluctuations in small sample volumes. The outcome of our work demonstrates the high potential of organic TADF emitters for optical temperature sensing and imaging.
Yttrium–Benzyl Complexes Bearing Chiral Iminophosphonamide Ligands: Synthesis and Application in Catalytic Asymmetric Amine‐Silane Dehydrocoupling Reactions
Authors: Li Nan , Guan Bing‐Tao
Published: July 2017

A series of novel iminophosphonamide ligands with chiral diamine moieties were designed and synthesized. Yttrium–benzyl compounds bearing these chiral iminophosphonamide ligands showed high reactivity and selectivity on the first catalytic asymmetric cross‐dehydrogenative coupling of amines with prochiral silanes under mild conditions. A stable silylamine–boron derivative was synthesized in up to 23% ee, as determined by chiral HPLC analysis. By employing this catalyst system, catalytic kinetic resolution of an axially chiral silane and further in situ allylation were achieved in good yields and enantioselectivities.

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Advanced Porous Carbon Materials for High‐Efficient Lithium Metal Anodes
Authors: Ye Huan , Xin Sen , Yin Ya‐Xia , Guo Yu‐Guo
Published: July 2017

Metallic lithium is considered as a competitive anode candidate for rechargeable Li batteries due to its ultrahigh theoretical specific capacity of 3860 mA h g−1. However, hurdles regarding the uneven Li deposition, unstable solid electrolyte interphase formation, and infinite change of relative dimensions challenge its practical application. Porous carbons (PCs), due to their high conductivity and stable electrochemistry, have been demonstrated feasible as host materials for stable plating of Li to address the above issues. This research news focuses on the recent progress in the development of advanced PC host materials for stable Li metal anode. It also provides perspectives regarding a rational design of PC for Li plating.
Hoch fluoreszierende Pyridiniumbetaine für die Lichtsammlung
Authors: Xu Jingjing , Zhang Bolong , Jansen Marina , Goerigk Lars , Wong Wallace W. H. , Ritchie Chris
Published: July 2017

Die Ergebnisse experimenteller und theoretischer Untersuchungen der Eigenschaften von Pyridiniumenolaten werden vorgestellt, und ihre potenzielle Nutzbarkeit in Lichtsammelanwendungen, insbesondere lumineszierenden Solarkonzentratoren (LSCs), wird demonstriert. Synthesen, Strukturen, photophysikalische Charakterisierung und wellenfunktionsbasierte quantenchemische Studien für fünf Cyclobetaine werden präsentiert und die Leistungsfähigkeit einer LSC‐Apparatur, die eines dieser Cyclobetaine enthält, wird mit dem aktuellen Stand der Technik verglichen.
Divergent Asymmetric Synthesis of Polycyclic Compounds via Vinyl Triazenes
Authors: Kossler David , Perrin Florian G. , Suleymanov Abdusalom A. , Kiefer Gregor , Scopelliti Rosario , Severin Kay , Cramer Nicolai
Published: July 2017

Vinyl triazenes were obtained by enantioselective [2+2] cycloaddition reactions of bicyclic alkenes with 1‐alkynyl triazenes in the presence of a RuII catalyst with a chiral cyclopentadienyl ligand. These triazenes serve as unique vinyl cation surrogates. Under acidic conditions, the triazene functionality can be replaced with a variety of groups, including halides, alkoxides, sulfoxides, amides, arenes, and heteroarenes, thus providing efficient access to a pool of chiral polycyclic compounds.
Highly Fluorescent Pyridinium Betaines for Light Harvesting
Authors: Xu Jingjing , Zhang Bolong , Jansen Marina , Goerigk Lars , Wong Wallace W. H. , Ritchie Chris
Published: July 2017

We report the findings of our experimental and theoretical investigations into the properties of pyridinium enolates and their potential utility in light‐harvesting applications, such as in luminescent solar concentrators (LSCs). We present the synthesis, structures, photophysical characterization, and wavefunction‐based quantum‐chemical studies of five cyclobetaines. The performance of an LSC device incorporating one of these cyclobetaines is shown to be comparable to state‐of‐the‐art devices.
Structural studies and biological activity evaluation of Pd(II), Pt(II) and Ru(II) complexes containing N‐phenyl, N`‐(3‐triazolyl)thiourea
Authors: Mansour Ahmed M.
Published: July 2017

[MCl(H2L)(OH2)]·1.5H2O (M = Pd(II) (1) and Pt(II) (2)) and [Ru(H2L)2(OH2)2]·3H2O (3) (H3L: N‐phenyl, N`‐(3‐triazolyl)thiourea) were synthesized, characterized and tested for their antibacterial activities against Staphylococcus aureus and Escherichia coli bacteria. The thiourea derivative is coordinated to Mn+ ions as a mono‐negatively N,S‐bidentate ligand via the enolization of C = S group and triazole N center. The density functional theory calculations reveal that presence of a water molecule in a trans position to triazole ring increased the stability of d8 metal ions complexes via the formation of strong Cl…NH intramolecular H‐bond. The cis‐Ru(II)‐isomer with two isoenergetically H2L− molecules are more stable than the trans‐analog. Coordination of H3L to Ru(II) ion did not alter the toxicity of the free ligand, while the interaction with the d8 metal ions gave rise to inactive compounds.
Melt linear viscoelastic rheological analysis to assess the microstructure of polyamide 6–acrylonitrile butadiene styrene terpolymer immiscible blends via the application of fractional Zener and Coran models
Authors: Aminjafari Mahboobeh , Entezam Mehdi , Sadeghi Morteza , Masoumi Mahmood , Khonakdar Hossein Ali , Jafari Seyed Hassan
Published: July 2017

In this study, the melt linear viscoelastic rheological properties of polyamide 6 (PA6)–acrylonitrile butadiene styrene terpolymer (ABS) immiscible blends were analyzed with the help of Coran and fractional Zener models (FZMs) to assess the microstructure of the blends. For this purpose, dynamic shear flow experiments and scanning electron microscopy investigations were performed. The nonzero value of the elastic modulus of the spring element (Ge) of the FZM for ABS‐rich blends was explained by the formation of a networklike structure because of the agglomeration of the rubber phases of the ABS matrix, whereas for the PA6‐rich blends with a high content of ABS, the interactions and/or interconnectivity of the ABS dispersed phase led to a nonzero value of Ge. The value of the fitting parameter of the Coran model (f) was near to 0.5 for the 50/50 blend; this was fully in agreement with the formed cocontinuous morphology for this blend composition. On the other hand, the f value for the blends with a matrix–droplet‐type morphology was near to zero for the PA6‐rich blends; this indicated the lower continuity of the ABS dispersed phase as a harder phase compared to the PA6 soft matrix, whereas the f value was near to 1 for ABS‐rich blends. This confirmed the formation of an interconnected networklike structure for this series of blends. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45423.
Quartz crystal resonator study of glass transitions in polyvinylbutyral (PVB) films
Authors: Du Xianbin , Tang Xuefeng , Fang Jiajie , Zhu Da‐Ming
Published: July 2017

Glass transitions in polyvinylbutyral (PVB) films deposited on a gold substrate have been studied using a quartz crystal resonator technique by measuring the resonant frequency shift and resonant peak broadening of the quartz crystal coated with a PVB film. Using the measured frequency shift and peak broadening of the resonance of the quartz crystal due to changes in the coated PVB film, the storage moduli of the film were derived. The results show rapid drops in the storage moduli of the PVB films at temperature closer to that of glass transition of bulk PVB. The transitions at different frequencies were assessed by simultaneously measuring the resonance of the quartz crystal at multiple harmonics. No significant change in the glass transition temperature at multiple harmonics was observed. The results of the storage moduli for PVB films of different thickness show that glass transition temperatures in the films decrease with the film thickness; the decrease become more noticeable as the film thickness is less than 500 nm where the characteristic of changing of storage moduli become distinctly different from that in thicker film and in bulk materials. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45433.
Electrical and morphological properties of microinjection molded polypropylene/carbon nanocomposites
Authors: Zhou Shengtai , Hrymak Andrew , Kamal Musa
Published: July 2017

A series of different carbon (carbon black, carbon nanotubes, and graphite nanoplatelets) filled polypropylene nanocomposites were prepared by melt blending, then followed by compression molding or microinjection molding (µIM). Direct current electrical conductivity measurements and melt rheology tests were utilized to detect the percolated structure for compression molded polypropylene/carbon nanocomposites. For µIM, a rectangular mold insert which has a three‐step decrease in thickness along the flow direction was adopted to study the effect of abrupt changes in mold geometry on the electrical and morphological properties of subsequent micromoldings (µ‐moldings). Results indicated that the µ‐moldings exhibited a higher percolation threshold when compared with their compression molded counterparts. This is largely due to the severe shearing conditions that prevail in the µIM process. The morphology of µ‐moldings containing different carbon fillers was examined using scanning electron microscopy. The development of corresponding microstructure is found to be strongly dependent on the types of carbon fillers used in µIM, which is crucial to the enhancement of electrical conductivity for the resulting µ‐moldings. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45462.
Linking morphology changes to barrier properties of polymeric packaging for microwave‐assisted thermal sterilized food
Authors: Zhang Hongchao , Bhunia Kanishka , Munoz Nydia , Li Li , Dolgovskij Michail , Rasco Barbara , Tang Juming , Sablani Shyam S.
Published: July 2017

It is a priority to develop polymeric packaging that can withstand microwave‐assisted thermal sterilization (MATS) and maintain the quality of low‐acid foods during long‐term storage. In this study, we explored changes in the morphology of pouch films with two multi‐layer structures. The films are based on barrier layers of metal oxide‐coated poly(ethylene terephthalate) (PET) (film A) and ethylene vinyl alcohol (EVOH) (film B). A 8‐oz model food in pouches was processed with MATS (F0 = 9.0 min) and stored at 23, 35 and 45 °C for up to 12 months. Findings reveal that the oxygen barrier of film A was influenced by the coating and crystallinity of PET. The oxygen barrier of film B was primarily affected by the moisture content of the EVOH polymer. Results also show that changes in barrier properties depended on storage temperature. Recrystallization in polymer might be an important morphological change that occurs during storages. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45481.
In vitro evidence for the participation of Drosophila melanogaster sperm β‐N‐acetylglucosaminidases in the interactions with glycans carrying terminal N‐acetylglucosamine residues on the egg's envelopes
Authors: Intra Jari , Veltri Concetta , De Caro Daniela , Perotti Maria Elisa , Pasini Maria Enrica
Published: July 2017

Fertilization is a complex and multiphasic process, consisting of several steps, where egg‐coating envelope's glycoproteins and sperm surface receptors play a critical role. Sperm‐associated β‐N‐acetylglucosaminidases, also known as hexosaminidases, have been identified in a variety of organisms. Previously, two isoforms of hexosaminidases, named here DmHEXA and DmHEXB, were found as intrinsic proteins in the sperm plasma membrane of Drosophila melanogaster. In the present work, we carried out different approaches using solid‐phase assays in order to analyze the oligosaccharide recognition ability of D. melanogaster sperm hexosaminidases to interact with well‐defined carbohydrate chains that might functionally mimic egg glycoconjugates. Our results showed that Drosophila hexosaminidases prefer glycans carrying terminal β‐N‐acetylglucosamine, but not core β‐N‐acetylglucosamine residues. The capacity of sperm β‐N‐acetylhexosaminidases to bind micropylar chorion and vitelline envelope was examined in vitro assays. Binding was completely blocked when β‐N‐acetylhexosaminidases were preincubated with the glycoproteins ovalbumin and transferrin, and the monosaccharide β‐N‐acetylglucosamine. Overall, these data support the hypothesis of the potential role of these glycosidases in sperm–egg interactions in Drosophila.
Recruitment of orbitofrontal cortex during unpredictable threat among adults at risk for affective disorders
Authors: Kirlic Namik , Aupperle Robin L. , Misaki Masaya , Kuplicki Rayus , Alvarez Ruben P.
Published: July 2017

Background

Mood and anxiety disorders are characterized by altered prefrontal‐amygdala function and increased behavioral inhibition (BI) in response to potential threat. Whether these alterations constitute a vulnerability or a symptom of illness remains unclear. The medial orbitofrontal cortex (mOFC) is thought to play a central role in estimating probability and cost of threat, in turn informing selection of subsequent behaviors. To better understand the behavioral and neural processes that may be associated with risk for psychopathology, we used a virtual reality paradigm to examine behavioral and neural responses of psychiatrically healthy adults with familial history of affective disorders during anticipation of unpredictable threat.

Methods

Twenty psychiatrically healthy adults with high familial risk for affective disorders and 20 low‐risk matched controls underwent functional magnetic resonance imaging concurrent with a paradigm in which they explored virtual contexts associated with the threat of shock or safety from shock. Subjective anxiety ratings, skin conductance, exploratory behavior, and neural responses were examined for threat versus safe conditions.

Results

High‐risk adults evidenced greater right mOFC activation, as well as greater BI, compared to low‐risk adults. There were no significant group differences in subjective ratings or autonomic responses. Individuals exhibiting greater activity in the right mOFC showed greater BI and decreased skin conductance response.

Conclusions

These results suggest that BI and mOFC recruitment during anticipation of aversive outcomes may reflect a vulnerability for affective disorders. However, such a response may also serve as a compensatory response, protecting these high‐risk individuals from negative outcomes (i.e., increased physiological arousal). These results suggest that the OFC may play a central role in driving threat‐related behaviors and thus may be a target for efforts aimed at early detection or prevention.
A Novel Tropoloisoquinoline Alkaloid, Neotatarine, from Acorus calamus L.
Authors: Li Juan , Li Zhao‐Xing , Zhao Jian‐Ping , Wang Wei , Zhao Xiao‐Fang , Xu Bo , Li Lin , Zhang Lan , Ren Jie , Khan Ikhlas A. , Li Shun‐Xiang
Published: July 2017

A novel tropoloisoquinoline alkaloid, neotatarine (1), was isolated from the 95% ethanol extract of the rhizome parts of Acorus calamus L. The chemical structure was unambiguously elucidated by spectroscopic and single‐crystal X‐ray diffraction analysis. Neotatarine (1) exhibited significantly inhibitory activity against Aβ25 – 35 induced PC12 cell death with 2, 4 and 8 μm comparing with the assay control (P < 0.01).
Framing and managing cardiovascular risk in chronic kidney disease: from native to transplanted kidney
Authors: Dounousi E. , Duni A. , Marinaki S. , Boletis J. N.
Published: July 2017

Cardiovascular disease is the most common cause of death among chronic kidney disease (CKD) patients. As renal function declines, kidney‐specific risk factors for cardiovascular events emerge. The aim of this review is to provide an insight on classical as well as non‐traditional, kidney‐related cardiovascular risk factors with regard to different stages of CKD, including ESRD and renal transplantation, and address specific strategies of cardiovascular disease prevention. Main culprits related to increased cardiovascular risk in patients with CKD include renin–angiotensin system and sympathetic overactivity, endothelial dysfunction, chronic inflammation, and oxidative stress. The CKD associated metabolic bone disorder (CKD‐MBD), is associated with cardiovascular effects beyond the already established renal osteodystrophy and hyperparathyroidism. Higher circulating levels of phosphate and fibroblast growth factor 23 (FGF‐23) and low vitamin D levels have been linked to increased risk of cardiovascular disease in patients with CDK. Uremia‐related as well as renal replacement modality associated factors emerge in patients who initiate renal replacement therapy. Kidney transplant recipients (KTRs) have a lower risk of major cardiovascular events compared with dialysis patients, however conventional cardiovascular risk factors such as dyslipidemia, hypertension, and diabetes are amplified in KTRs, due to the use of immunosuppressive drugs which possess diabetogenic and atherogenic effects. Renal allograft dysfunction is a major risk factor for cardiovascular disease in this patient group. Prevention in the early stages of CKD and multifactorial aggressive interventions targeting established cardiovascular risk factors should be priority whereas future research and randomized clinical trials should assess new management approaches focusing on non‐classical risk factors.

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Acute arterial occlusion after total knee arthroplasty: a case report
Authors: Inomata Kei , Sekiya Ichiro , Otabe Koji , Nakamura Tomomasa , Horie Masafumi , Koga Hideyuki , Watanabe Toshifumi , Muneta Takeshi
Published: July 2017

Key Clinical Message

Popliteal artery occlusion after total knee arthroplasty is rare (0.03–0.17%) but can lead to amputation if overlooked. We should carefully assess vascular patency by Doppler ultrasound and ankle brachial pressure index (ABPI) measurement before and after total knee arthroplasty (TKA) operation.
Metal‐like Band Structures of Ultrathin Si {111} and {112} Surface Layers Revealed through Density Functional Theory Calculations
Authors: Tan Chih‐Shan , Huang Michael H.
Published: July 2017

Density functional theory calculations have been performed on Si (100), (110), (111), and (112) planes with tunable number of planes for evaluation of their band structures and density of states profiles. The purpose is to see whether silicon can exhibit facet‐dependent properties derived from the presence of a thin surface layer having different band structures. No changes have been observed for single to multiple layers of Si (100) and (110) planes with a consistent band gap between the valence band and the conduction band. However, for 1, 2, 4, and 5 Si (111) and (112) planes, metal‐like band structures were obtained with continuous density of states going from the valence band to the conduction band. For 3, 6, and more Si (111) planes, as well as 3 and 6 Si (112) planes, the same band structure as that seen for Si (100) and (110) planes has been obtained. Thus, beyond a layer thickness of five Si (111) planes at ≈1.6 nm, normal semiconductor behavior can be expected. The emergence of metal‐like band structures for the Si (111) and (112) planes are related to variation in Si−Si bond length and bond distortion plus 3s and 3p orbital electron contributions in the band structure. This work predicts possession of facet‐dependent electrical properties of silicon with consequences in FinFET transistor design.
Phototransformative Supramolecular Assembly of Amphiphilic Diarylethenes Realized by a Combination of Photochromism and Lower Critical Solution Temperature Behavior
Authors: Yotsuji Hajime , Higashiguchi Kenji , Sato Ryuma , Shigeta Yasuteru , Matsuda Kenji
Published: July 2017

Amphiphilic diarylethenes bearing octyloxycarbonyl and N‐octylcarbamoyl groups have been designed and synthesized. These ester‐ and amide‐linked compounds form micrometer‐sized supramolecular assemblies in water, and these assemblies exhibit photoinduced macroscopic morphological transformations upon alternate irradiation with UV and visible light. The ester‐linked diarylethene showed a transformation between colorless spheres and a red‐purple hazy fringe, whereas the microspheres of the amide‐linked diarylethene showed changes in color, size, and shape, but the spheres did not show division. TEM images revealed that the spheres of the open‐ring isomers have coacervate structures, with bicontinuous aqueous and organic phases. The closed‐ring isomers of the ester‐ and amide‐linked compounds were found to form nanofibers and thin layers, respectively. These compounds showed absorption spectral shifts at temperatures corresponding to the lower critical solution temperature (LCST) transition. This morphological transformation can be rationalized as the photoinduced phase transition between the high‐ and low‐temperature phases of the LCST transition. These results open up a new avenue for the design of phototransformative supramolecular assemblies based on a combination of photochromism and LCST behavior.
Expanded Indacene–Tetrathiafulvalene Scaffolds: Structural Implications for Redox Properties and Association Behavior
Authors: Petersen Johannes Fabritius , Frederickson Conerd K. , Marshall Jonathan L. , Rudebusch Gabriel E. , Zakharov Lev N. , Hammerich Ole , Haley Michael M. , Nielsen Mogens Brøndsted
Published: July 2017

Redox‐controlled dimerization of tetrathiafulvalene (TTF) derivatives is an important tool for achieving reversible assemblies. Herein, the synthesis and characterization of indacene–TTF hybrids, in which the central core is fused to naphtho or benzothieno units, are reported. The orientation of these units has a strong influence on the redox properties, with regard to the number of electrons involved in the first oxidation event and the ability of the oxidized forms to associate. The formation of mixed‐valence and π‐dimer complexes is turned off for those systems in which geometrical constraints provide nonplanar π‐systems. Introduction of bulky substituents presents another way of preventing association, as revealed by studies of indenofluorene and diindenoanthracene scaffolds with (triisopropylsilyl)ethynyl groups. Horner–Wadsworth–Emmons reactions present a general synthetic protocol to access superextended TTFs, by using diones of polycyclic conjugated hydrocarbons as substrates.
Isomer Selectivity in Low‐Energy Electron Attachment to Nitroimidazoles
Authors: Ribar Anita , Fink Katharina , Probst Michael , Huber Stefan E. , Feketeová Linda , Denifl Stephan
Published: July 2017

Low‐energy electrons effectively decompose the isomers 2‐nitroimidazole and 4(5)‐nitroimidazole by dissociative electron attachment (DEA) into a variety of fragment anions and radicals. The present study shows that a distinct selectivity for the two isomers occurs in the DEA reactions. Several new decay channels are observed for 2‐nitroimidazole, including a dominant one leading to the loss of molecular H2O by attachment of a low‐energy electron. In contrast, the loss of a single hydrogen atom is a much more efficient reaction in DEA to 4(5)‐nitroimidazole. Quantum chemical calculations were carried out to explain the pronounced isomer effect found in the DEA experiment. Although the free energies of the reactions are similar for the different isomers, the very different natures of the dipole‐bound states and valence‐bound anions lead to preference for or hindrance of a particular dissociation channel. Nitroimidazolic compounds are considered as radiosensitizing compounds in tumor radiation therapy. The enhanced formation of fragments, including the highly reactive hydroxyl radical, in DEA to 2‐nitroimidazole suggests that it may be a more efficient radiosensitizing agent than 4(5)‐nitroimidazoles.
Mechanisms of the Diterpene Cyclases β‐Pinacene Synthase from Dictyostelium discoideum and Hydropyrene Synthase from Streptomyces clavuligerus
Authors: Rinkel Jan , Rabe Patrick , Chen Xinlu , Köllner Tobias G. , Chen Feng , Dickschat Jeroen S.
Published: July 2017

Two diterpene cyclases, one from the social amoeba Dictyostelium discoideum and the other from the bacterium Streptomyces clavuligerus, with products containing a Z‐configured double bond between the original C2 and C3 of geranylgeranyl diphosphate, were extensively investigated for their mechanisms through isotopic labelling experiments. The participation of geranyllinalyl diphosphate, in analogy to the role of linalyl and nerolidyl diphosphate for mono‐ and sesquiterpene biosynthesis, as an intermediate towards diterpenes with a Z‐configured C2=C3 double bond is discussed.
Green Imidazolium Ionics–From Truly Sustainable Reagents to Highly Functional Ionic Liquids
Authors: Tröger‐Müller Steffen , Brandt Jessica , Antonietti Markus , Liedel Clemens
Published: July 2017

Invited for the cover of this issue is the group of Clemens Liedel at the Max Planck Institute of Colloids and Interfaces in Potsdam (Germany). The image depicts the connection the functional ionic liquids have to green chemistry and the environment. Read the full text of the article at 10.1002/chem.201701212.