bluuebunny/crossref_metadata_2025 huggingface dataset:
Searching for the Sustainably Profitable Stocks: Evidence on S&P 500 Companies
Authors: Chiang Gengnan , Liu Chin-Chi
Published: January 2017

Using a balanced panel dataset of 214 firms from S&P 500 during 2001-2012, the main purpose of this study is to search for the possibility of the sustainably profitable stocks by utilizing a nonlinear panel smooth transition regression (PSTR) model. We document three important empirical findings on this study. First, we show that the concurrent total asset growth rate and the change in EPS positively correlate with the market adjusted stock returns, while one-year lagged market-to-book asset ratio (MBA) had negative impact on market adjusted stock returns. Second, we find that most value stocks remained in the same regime over the sample period and the annual average market-adjusted return of these value stocks is 7.80%, approximately 10.56% higher than growth stocks. Third, we further report that 116 valued firms in our sample are most likely to be sustainably profitable stocks over the entire sample period and the annual average market-adjusted return of these stocks is 6.53%. Especially now, with an investment environment that has been somewhat ungenerous in offering returns, we expect these interesting findings provide rich implications for institutional investors to design profitable and effective investment strategies.
A Research on the Belt and Road Initiatives and Strategies of RMB Internationalization
Authors: Lin Xuejun , Xiao Yefen , Liang Yuan , Zhang Xiaowen
Published: January 2017

Some problems exist in current international monetary system, such as dollar dominance and frequent fluctuation of exchange rate, which are not conducive to the development of trade, investment and global economy. Financial crises break out frequently. So we should reform the international monetary system and create a multi-polar international monetary system to regulate dollar conduct by mutual competitions. RMB internationalization is not only favorable to the stability of the world's currency, but also good to China's own development. The Belt and Road Initiative has been bringing more opportunities for the internationalization of the RMB. The Belt and Road Initiative aims to strengthen economic cooperation between China and its neighboring countries and promotes the regional economic prosperity. This strategy provides a good opportunity for China to develop trade, increase investment and expand financial markets. So RMB should take advantage of this opportunity to improve the proportion of RMB trade settlement, increase the amount of RMB investment and financing and accelerate the circulation of RMB, and then steadily push forward the process of RMB internationalization under the premise of controlling risks.
On a Non Logsymplectic Logarithmic Poisson Structure with Poisson Cohomology Isomorphic to the Associated Logarithmic Poisson Cohomology
Authors: Dongho Joseph
Published: January 2017

The main purpose of this article is to show that there are non logsymplectic Poisson structures whose Poisson cohomology groups are isomorphic to corresponding logarithmic Poisson cohomology groups.
Finale and Future: The 2CUL Technical Services Strategic Alliance
Authors: Harcourt Kate , LeBlanc Jim
Published: January 2017

The Columbia and Cornell University Libraries’ partnership (2CUL) is now in its sixth year. Its composite acronym (2CUL), which condenses a doubling of the two participating libraries’ initial letters, summarizes its vision: a broad integration of library activities in many areas—including collection development, acquisitions and cataloging, e-resources and digital management, digital preservation, and reciprocal offsite use of collections. A key component in the partnership was the 2CUL Technical Services Integration, an initiative funded by a generous three-year grant from the Andrew W. Mellon Foundation, which ended on December 31, 2015. In this paper, the third in a series, the authors report on the final year of this grant-funded project and reflect on the results of the two institutions’ attempt to achieve deep, operational integration within technical services.1 In presenting an honest appraisal of the project’s challenges and vicissitudes, the authors hope that their experiences and insights will help other libraries plan their own collaborative ventures.
Book Review: Managing eBook Metadata in Academic Libraries: Taming the Tiger
Authors: Fairall Jennifer
Published: January 2017

This volume is part of the Chandos Information Professional Series, designed to provide easy-to-read and practical coverage of subjects that are of interest to librarians. The book is written for newer librarians and librarians transferred to technical services, but it is meant to be useful to anyone working with e-books and the metadata associated with them. The approach of the book is to guide the reader through the various definitions, concepts, and approaches related to metadata management so that they can be applied in the reader’s library. This is not a how-to guide on managing e-books, but rather a guide to help the reader examine the metadata and e-book environment at their own library and create their own management plan using the principles, practices, guidelines, and standards presented in the book.
Book Review: Metadata
Authors: Miraglia Elizabeth
Published: January 2017

The second edition of Qin and Zheng’s Metadata is a welcome and thorough update of an already valuable text. The authors have expanded on the first edition in a way that reflects a detailed understanding of an often complex subject. Metadata are a constantly shifting landscape with new schema and tools emerging and fading at an amazing pace. Qin and Zheng deal with the subject deftly, providing content that is clearly situated in its own context that will serve as ample reference material even in such a fast-paced landscape. In addition, the book is complemented by valuable online content that includes a metadata tutorial, chapter outlines, and exercises. The website includes a section with similar content to the first edition of the book, allowing users to compare the structure of both editions and to benefit from additional practice exercises. Additionally, the links available in the online appendixes are invaluable for readers, providing an extensive reference source for further research and work in metadata.
Método canguru: benefícios e desafios experienciados por profissionais de saúde
Authors: Gesteira Elaine Cristina Rodrigues , Braga Patrícia Pinto , Nagata Marina , Santos Luiza Ferreira Cantão dos , Hobl Camila , Ribeiro Barbára Gomes
Published: January 2017

Objetivo: conhecer os benefícios e os desafios experienciados por profissionais de saúde acerca do método canguru. Método: pesquisa exploratória, descritiva, de natureza qualitativa, que utilizou a Teoria das Representações Sociais e como método de análise o Discurso do Sujeito Coletivo com 22 profissionais de saúde de um Centro de Terapia Intensiva Neonatal e Pediátrica por meio de entrevistas semiestruturadas realizadas no período de novembro e dezembro de 2012. Resultados: emergiram oito discursos do sujeito coletivo, sendo que quatro sinalizaram os benefícios do método para o recém-nascido e família, os demais apontaram os desafios encontrados na experiência do método. Conclusão: adequações na estrutura física, aprimoramento de recursos humanos e comprometimento dos gestores são aspectos-chave para a consolidação do Método Canguru. Este estudo poderá contribuir nas reflexões de profissionais de saúde, entre eles, os da enfermagem, visando a melhoria de suas práticas assistenciais.
Situação da cobertura vacinal de imunobiológicos no período de 2009-2014
Authors: Dalla Nora Taís Trombetta , Paz Adriana Aparecida , Linch Graciele Fernanda da Costa , Pelegrini Alisia Helena Weis , Wachter Marta Ziziane Dorneles
Published: January 2017

Objetivo: verificar a situação das coberturas vacinais nas três esferas político-administrativas no período de 2009-2014. Método: estudo de série histórica, utilizando dados do Departamento de Informática do Sistema Único de Saúde: Tuberculose, Rota Vírus Humano, Hepatite B, Poliomielite, Febre Amarela e Tríplice Viral. Resultados: no Brasil se constatou que as coberturas são estáveis, mantendo os imunobiológicos acima da meta durante o período. No Estado houve aumento da cobertura vacinal de todos imunobiológicos a partir de 2013. O município gaúcho acompanhou o delineamento do País e do Estado nas coberturas no período de 2009-2011, decaindo nos últimos dois anos. Conclusões: as coberturas vacinais analisadas estiveram em sua maioria semelhantes entre as três esferas, no entanto de 2012 para 2013, a cobertura do município caiu. A heterogeneidade de coberturas aponta como necessária a definição de estratégias capazes de direcionar as ações de enfermagem à prevenção das doenças imunopreveníveis.
A PREVALÊNCIA DE SINTOMAS DEPRESSIVOS EM MULHERES ENCARCERADAS DO MUNICÍPIO DE PIMENTA BUENO-RO
Authors: Lizardo de Assis Cleber , Vitória Eloísa Ádria Rodrigues
Published: January 2017

A população carcerária feminina vem aumentando e estudos apontam uma maior prevalência de transtornos mentais em mulheres, em especial, nesse espaço. Objetiva-se identificar sintomas depressivos na população feminina em cumprimento de pena de prisão na Casa de Detenção do Município de Pimenta Bueno-RO. Método: Amostra de 17 mulheres, foi aplicado um questionário sócio-demográfico e o BDI-II – Inventario de Depressão de Beck. Resultados e discussão: 76,47% das mulheres apresentaram sintomas depressivos; nos primeiros doze meses e após trinta e sete meses há um alto índice de mulheres com depressão, além de outras variáveis levantadas. Conclusão: privação de liberdade e tempo de reclusão, associados a posição social e econômica desfavorável, baixa escolaridade e falta de qualificação profissional, problemas pessoais, constituem fatores de risco que podem contribuir para desenvolver e/ou intensificar sintomas depressivos em mulheres encarceradas.
REPRESENTAÇÕES SOCIAIS DA INFÂNCIA INDÓCIL: análise dos registros nos livros de ocorrência em uma escola municipal de Santa Maria/RS
Authors: Luft Sibila
Published: January 2017

Este artigo apresenta os resultados obtidos na pesquisa de Doutorado desenvolvida na Linha de Pesquisa “Educação Especial”, do Programa de Pós-Graduação em Educação do Centro de Educação da UFSM, que objetivou conhecer as conhecer as representações produzidas no espaço escolar sobre os alunos indóceis, a partir da análise dos livros de ocorrência. A pesquisa foi de cunho qualitativo, sendo efetuada uma análise documental, nos livros de registro de ocorrência, envolvendo alunos dos anos iniciais de uma escola da rede municipal de Ensino Fundamental da cidade Santa Maria/RS, onde analisamos 743 registros, em 5 livros. A coleta ocorreu no período de junho a julho de 2011, com a utilização de diário de campo e fotocópia do material. Para a análise e interpretação dos dados coletados, utilizamos a análise de conteúdo (BARDIM, 1977/2011), e com o aporte teórico da Teoria das Representações Sociais, buscamos conhecer as representações formadas, e seu impacto nas práticas de in/exclusão. No contexto pesquisado, os alunos que apresentam questões de ordem comportamental, indisciplina, agressões a colegas, desacato à professora, são os mais vulneráveis à exclusão do espaço escolar. As medidas e procedimentos adotados pela escola em relação à infância indócil vão desde a exclusão de forma fracionada, por dias (um, dois, três, cinco, sete); ameaças de exclusão, representada na forma de transferência dirigida para outra escola; a ameaça de exclusão de projetos sociais bem como a negação da participação de assistir aula de determinadas disciplinas. A abordagem interdisciplinar pode abrir caminhos e possibilidades, visando a contribuir para as discussões e pesquisas sobre esta temática em questão, crucial para o investimento no campo das Políticas Públicas em Educação, contribuindo, assim, para a permanência destas demandas de alunos na escola, minimizando impactos da exclusão escolar, o que a pesquisa evidenciou como ainda presente.
GESTÃO DE TURISMO DE EVENTOS: CARACTERIZAÇÃO E REFLEXÕES SOBRE OS EVENTOS DA REGIÃO CENTRAL DO RIO GRANDE DO SUL/BRASIL
Authors: Dotto Dalva Maria Righi , Pons Monica Elisa Dias , Remedi José Martinho Rodrigues , Cerezer Lilian Coradini
Published: January 2017

São recorrentes os estudos, os levantamentos e a elaboração de planos para o turismo, nas diferentes instâncias do setor público e privado. No Rio Grande do Sul, a Secretaria Estadual de Esporte, Turismo e Lazer (SETEL) divide o Estado em regiões para definir com mais precisão as políticas públicas e a organização do setor. Com ênfase no tema turismo de eventos e utilizando como recorte geográfico a região Central do Rio Grande do Sul, este estudo foi realizado através de uma pesquisa exploratória, com abordagem de investigação qualitativa e objetivou sistematizar os eventos divulgados pela SETEL, com análise por município e região e, mais especificamente, verificar os principais aspectos referentes a identificação dos organizadores, tipos de eventos, abrangência, periodicidade e a categorização dos municípios realizada pelo Ministério de Turismo. Os resultados da pesquisa demonstraram que há poucos organizadores de eventos que utilizam essa importante ferramenta gratuita de divulgação e atração de turistas disponibilizada através do website da SETEL. Também se constatou que a maioria dos eventos tem periodicidade anual, que há uma concentração maior no segundo semestre e que as parcerias entre setor público e privado para a realização de eventos ainda é incipiente na região estudada.
UM ESTUDO SOBRE PROGRAMA BOLSA FAMÍLIA (PBF): O CASO DOS MUNICÍPIOS QUE INTEGRAM A ASSOCIAÇÃO DOS MUNICÍPIOS DA ZONA DA PRODUÇÃO (AMZOP)
Authors: Munaretto Lorimar Francisco , Silva Juliana De Fátima da
Published: January 2017

O estudo teve por objetivo verificar e descrever a situação dos municípios de abrangência da AMZOP, em relação ás famílias inscritas no cadastro único para programas sociais do governo federal (CADÚNICO) e beneficiários no recebimento do programa bolsa família (PBF). Trata-se de um estudo que possui uma abordagem metodológica do tipo quanti-qualitativa e quanto aos objetivos a pesquisa é do tipo descritiva. Os dados primários foram obtidos por meio de entrevistas com os responsáveis do Centro de Referência de Assistência Social dos 42 (quarenta e dois) municípios que integram a AMZOP. Os resultados indicam que 17,79% dos inscritos no CADÚNICO, possuem renda de até R$ 77,00 por mês, o qual fica dentro de uma faixa de renda definida como de pobreza e extrema pobreza. Em relação ao PBF, os resultados indicam que em 20 municípios sua população apresenta dependência, acima da média nacional de 21,64%. Estes municípios apresentam o número de beneficiários do PBF, que variam entre 21,65% a 32,96% de sua população. O município de Jaboticaba é o que possui o maior número de famílias dependentes no recebimento do PBF. São 507 famílias. Já o município de Barra Funda é o município que possui apenas 13 famílias.Palavras-chave: Programa Bolsa Família (PBF), Municípios, AMZOP.
QUALIDADE DE VIDA NO TRABALHO E ENVOLVIMENTO DO TRABALHADOR: UMA ANÁLISE EM UMA COOPERATIVA DE ASSISTÊNCIA À SAÚDE
Authors: Nazario Mitally , Klimeck Kálien Alves
Published: January 2017

A busca pela melhoria do bem estar dos funcionários nas organizações impulsiona estudos sobre a qualidade de vida no trabalho, assim, este estudo teve como objetivo avaliar a qualidade de vida e o envolvimento com o trabalhado dos colaboradores dos setores administrativos de uma cooperativa de assistência à saúde. Para isso, realizou-se uma pesquisa descritiva, quantitativa, com 35 funcionários do setor administrativo da cooperativa de assistência em saúde. O questionário utilizado baseou-se no modelo Walton (1973) para analisar a qualidade de vida no trabalho, e no modelo de Salanova (2005), para avaliar o envolvimento do trabalhador. A análise de dados indicou que, em geral, os trabalhadores apresentam altos índices de satisfação em relação aos indicadores de qualidade de vida no trabalho e um alto grau de envolvimento com o trabalho. Além disso, observou-se que as características do perfil dos trabalhadores influenciam na sua percepção sobre esses fatores.
ANÁLISE DA INSERÇÃO DOS BACHARÉIS E TECNÓLOGOS EM COOPERATIVISMO NO MERCADO DE TRABALHO
Authors: Abrantes Daniel Mederios
Published: January 2017

O presente artigo tem como objetivo identificar até que ponto os egressos formados nos cursos de Tecnólogo em Cooperativismo, Administração com Habilitação em Administração de Cooperativas, Gestão de Cooperativas e Cooperativismo da Universidade Federal de Viçosa (UFV) estão adaptados às demandas do mercado de trabalho. Para cumprimento deste objetivo foi utilizado como metodologia o levantamento bibliográfico, documental e a aplicação de um questionário com 44 egressos dos cursos. Os resultados foram submetidos a uma análise, discutidos e constatados com a bibliografia. Apesar da pouca bibliografia encontrada a respeito da atuação destes profissionais, os resultados obtidos nesta pesquisa indicam o quão hábil a formação do curso oferecido pela Universidade Federal de Viçosa tem sido valorizada no mercado de trabalho. O diploma dos cursos estudados também tem permitido a seus egressos a admissão na carreira acadêmica, fato que indica que o curso oferece um bom conteúdo teórico além da visão prática a respeito da gestão de organizações cooperativas e do terceiro setor. Como considerações finais do trabalho é possível entender que, o conteúdo ministrado no curso é condizente com as exigências do mercado de trabalho, bem como da academia.
Computer Integrated Manufacturing of Polyurethane Foams Steered by Measured and Calculated Data in Comparison
Authors: Horacek Heinrich
Published: January 2017

Polyurethane foams were manufactured under continuous measurements of isocyanate content, temperature, expansion and viscosity. Parallel model calculations were executed based on the driving force of 50kJ/mole heat of reaction of the energy rich isocyanate group and on thermodynamic balances of weight and heat of formation as well as on a kinetic model using a first order reaction for the isocyanate consumption and a relation for the viscosity dependent on conversion and on a viscosity constant. The agreement between continuous measured and calculated data was satisfying. The parameters isocyanate content, temperature, expansion and viscosity controlled and steered the variables of the production plant, like dosage of components, temperature and conveyer speed. The kinetic model was also valid for polyurethane foams with additives, which did not react with components of foam, like flame retardants or pigments. The thermodynamic balances of weight and heat predicted residues and consumed heats by degradation under fire, which correlated with those measured by TGA and DSC. The target was to establish computer integrated manufacturing without continuous measurements but by mere model calculation. This was possible with the knowledge of the first order velocity constant and the viscosity constant.
Optimizing Activators Regenerated by Electron Transfer for Atom Transfer Radical Polymerization of Methyl Methacrylate Initiated by Ethyl 2-bromopropionate
Authors: Chen Mingsen , Zhou Hongwang , Li, Xiaofang , Zhou Li , Zhang Faai
Published: January 2017

In this study, we used ethyl 2-bromopropionate (EBrP) as an initiator of activators regenerated by electron transfer for atom transfer radical polymerization (ARGET ATRP) of methyl methacrylate (MMA). We investigated in detail the effect on polymerization of different kinds of reducing agents and ligands, the amounts of the reducing agent and catalyst, and reaction temperature. We determined the molecular weight and dispersity of the polymers by gel permeation chromatography (GPC). The results reveal glucose to be the best reducing agent for this system. The monomer conversion increased with increases in the reaction temperature and in the feeding amounts of the reducing agent and catalyst. The optimum amount of the reducing agent and minimal amount of catalyst required depend on the particular system. For example, we polymerized MMA with 200 ppm of catalyst and 15-fold of glucose/CuCl2 resulting in a PMMA with high Mn (Mn,GPC = 48 700, Mn,theo = 48 500) and low dispersity (1.27). The first-order kinetics show that the molecular weights increased linearly with the monomer conversion and are consistent with the theoretical values, the chain extension reaction and end group analysis results also demonstrate that the characteristics of polymerization process belong to a typical “living”/controlled radical polymerization. Moreover, 1H-NMR analysis results indicate the stereoregularity of the polymer is given priority over syndiotactic architecture and the effect of the type of ligand on the stereoregularity is very slight.
Morphological Characterization of Buds Being Donors of Apex for Molecular Confirmation of Differentiation of Meristem into Permanent Tissues of Stone Fruit Trees (Prunus sp.)
Authors: Mićić Nikola , Đurić Gordana
Published: January 2017

Molecular confirmation of the process of differentiation of meristematic tissue of plants is primarily based on histomorphological characterization of the tissues carrying these processes. For perennial plants – fruit trees, the knowledge of these processes is important to define runtime type and pomotechnical treatments but also to identify the genes responsible for determination of the apices into a generative phase of differentiation. Which apex extraction techniques will be applied depends on the structure of buds, i.e. whether an apex differentiates only into generative elements – pure flower buds, or the differentiation goes into two directions: differentiation of leaf primordium with axillar meristematic dome and differentiation of generative elements of flowers in the peak or lateral zone of an apex – mixed buds. The fruit trees of the genus Prunus have purely flower buds and for this purpose the whole apex is taken, between protection – cover leaves, on lateral positions of all collateral buds at shoot nodes. The moment of initiation of determination and the dynamics of differentiation of generative buds are different at different type of shoots on a tree. It is therefore necessary to know the shoots growth cessation time which is in correlation with apex determination. Fruit trees of the genus Prunus are ending the growth of shoots by rejection of shoot peaks, and the cast away time depends on the type, length and the position of shoots.
State of Heavy Metals Pollution of Flooded Agricultural Land in the North Part of Republic of Srpska
Authors: Predić Tihomir , Nikić Nauth Petra , Radanović Bojana , Predić Alen
Published: January 2017

This paper presents the results of the research of soil contamination in flooded area located at the confluence of Bosna and Sava rivers. The sampling was performed according to a network of points Etrs89 reference European Network based on grid points of 500 m x 500 m. The total number of soil samples was 31 and 13 samples of sediment-mud. In the soil samples and sediment-mud samples various parameters were analyzed: pH H2O and 1 M KCl, humus (method by Tjurin), and the readily available phosphorus and potassium (AL method). The interpretation of total content of heavy metals in the soil was conducted according to Dutch Soil Remediation Circular (2009). The samples were analyzed for the total content of heavy metals: Pb, Cd, Cr, Ni, Zn, Cu (aqua regia digestion, AAS) and the elevated concentrations of Ni. However, Ni content in mud was from 240.5 mg/kg to 294.5 mg/kg, in soil it was from 128.9 mg/kg to 452.1 mg/kg. All mud samples were alkaline, and 79% of soil samples were alkaline and of neutral reaction. The analysis indicated that the flood in May 2014 was not caused by soil contamination with heavy metals, which however contributed to the increase of the overall content of these elements in the soil.
Comparative Evaluation of Einkorn Accessions (Triticum monococcum L.) of Some Main Agricultural Characters
Authors: Uzundzalieva Katya , Desheva Gergana , Valchinova Evgenia , Kyosev Bozhidar
Published: January 2017

A set of 15 landraces was estimated by seven agronomical characters. The analysis of variance showed that the most relative variable character during the period of study was the grain yield, followed by the spike length and the thousand kernel weight. The accessions with the shortest stem were B3000126 (90 cm) and B3000128 (95 cm), while B4E0040 and B3000130 had dense and long spikes. The highest thousand kernel weight was observed in B3E0024 (37.66 g), followed by B3000126 (36.60 g). B3000024 and B3000082 possessed high production potential. PC-analysis was applied to arrange accessions by their similarity. The first two factors explained 68.533 % of total variation. The first factor had an important role to justify alteration of length of vegetative growth phase, number of spikelets per spike, plant height and the thousand kernel weight. The second factor justified 27.603 % of total variance. Cluster analysis based on the two factors grouped the landraces into six groups.
PKCθ links proximal T cell and Notch signaling through localized regulation of the actin cytoskeleton
Authors: Britton Graham J , Ambler Rachel , Clark Danielle J , Hill Elaine V , Tunbridge Helen M , McNally Kerrie E , Burton Bronwen R , Butterweck Philomena , Sabatos-Peyton Catherine , Hampton-O’Neil Lea A , Verkade Paul , Wülfing Christoph , Wraith David Cameron
Published: January 2017

Notch is a critical regulator of T cell differentiation and is activated through proteolytic cleavage in response to ligand engagement. Using murine myelin-reactive CD4 T cells, we demonstrate that proximal T cell signaling modulates Notch activation by a spatiotemporally constrained mechanism. The protein kinase PKCθ is a critical mediator of signaling by the T cell antigen receptor and the principal costimulatory receptor CD28. PKCθ selectively inactivates the negative regulator of F-actin generation, Coronin 1A, at the center of the T cell interface with the antigen presenting cell (APC). This allows for effective generation of the large actin-based lamellum required for recruitment of the Notch-processing membrane metalloproteinase ADAM10. Such enhancement of Notch activation is critical for efficient T cell proliferation and Th17 differentiation. We reveal a novel mechanism that, through modulation of the cytoskeleton, controls Notch activation at the T cell:APC interface thereby linking T cell receptor and Notch signaling pathways.
Structure of the active form of human origin recognition complex and its ATPase motor module
Authors: Tocilj Ante , On Kin Fan , Yuan Zuanning , Sun Jingchuan , Elkayam Elad , Li Huilin , Stillman Bruce , Joshua-Tor Leemor
Published: January 2017

Binding of the Origin Recognition Complex (ORC) to origins of replication marks the first step in the initiation of replication of the genome in all eukaryotic cells. Here, we report the structure of the active form of human ORC determined by X-ray crystallography and cryo-electron microscopy. The complex is composed of an ORC1/4/5 motor module lobe in an organization reminiscent of the DNA polymerase clamp loader complexes. A second lobe contains the ORC2/3 subunits. The complex is organized as a double-layered shallow corkscrew, with the AAA+ and AAA+-like domains forming one layer, and the winged-helix domains (WHDs) forming a top layer. CDC6 fits easily between ORC1 and ORC2, completing the ring and the DNA-binding channel, forming an additional ATP hydrolysis site. Analysis of the ATPase activity of the complex provides a basis for understanding ORC activity as well as molecular defects observed in Meier-Gorlin Syndrome mutations.
Ultrasmall CuCo2S4 Nanocrystals: All‐in‐One Theragnosis Nanoplatform with Magnetic Resonance/Near‐Infrared Imaging for Efficiently Photothermal Therapy of Tumors
Authors: Li Bo , Yuan Fukang , He Guanjie , Han Xiaoyu , Wang Xin , Qin Jinbao , Guo Zheng Xiao , Lu Xinwu , Wang Qian , Parkin Ivan P. , Wu Chengtie
Published: January 2017

Copper‐based ternary bimetal chalcogenides have very promising potential as multifunctional theragnosis nanoplatform for photothermal treatment of tumors. However, the design and synthesis of such an effective platform remains challenging. In this study, hydrophilic CuCo2S4 nanocrystals (NCs) with a desirable size of ≈10 nm are synthesized by a simple one‐pot hydrothermal route. The as‐prepared ultrasmall CuCo2S4 NCs show: 1) intense near‐infrared absorption, which is attributed to 3d electronic transitions from the valence band to an intermediate band, as identified by density functional theory calculations; 2) high photothermal performance with a photothermal conversion efficiency up to 73.4%; and 3) capability for magnetic resonance (MR) imaging, as a result of the unpaired 3d electrons of cobalt. Finally, it is demonstrated that the CuCo2S4 NCs are a promising “all‐in‐one” photothermal theragnosis nanoplatform for photothermal cancer therapy under the irradiation of a 915 nm laser at a safe power density of 0.5 W cm−2, guided by MR and infrared thermal imaging. This work further promotes the potential applications of ternary bimetal chalcogenides for photothermal theragnosis therapy.
Efficient Synthesis of (R)‐2‐Chloro‐1‐(2,4‐dichlorophenyl)ethanol with a Ketoreductase from Scheffersomyces stipitis CBS 6045
Authors: Shang Yue‐Peng , Chen Qi , Kong Xu‐Dong , Zhang Yu‐Jun , Xu Jian‐He , Yu Hui‐Lei
Published: January 2017

By enzyme screening, a ketoreductase cloned from Scheffersomyces stipitis CBS 6045 and named SsCR was identified that could catalyze the asymmetric hydrogenation of a variety of aromatic ketones. SsCR exhibited a specific activity of 65 U mg−1 protein and excellent enantioselectivity (99.9% ee) towards the hydrophobic substrate 2‐chloro‐1‐(2,4‐dichlorophenyl)ethanone, which is an intermediate in the synthesis of common antifungal agents such as miconazole, econazole and sertaconazole. The kinetic parameter kcat/Km was 4.51×103 s−1 mM−1, showing the great catalytic efficiency of SsCR towards this substrate. Molecular dynamic simulation results shed light on the higher substrate binding free energy change for this substrate relative to other substrates. Based on the good catalytic properties of SsCR, (R)‐2‐chloro‐1‐(2,4‐dichlorophenyl)ethanol could be obtained with a space‐time yield (STY) of up to 268 g L−1 d−1 without any additional cofactor required in the reductive reaction process. On scaling up the bioreaction, the (R)‐alcohol was isolated with 88.2% yield and 99.9% ee. The environmental factor (E factor) of this reaction was 7.25 when process water was excluded.

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Regioselective Enzymatic Carboxylation of Bioactive (Poly)phenols
Authors: Plasch Katharina , Resch Verena , Hitce Julien , Popłoński Jarosław , Faber Kurt , Glueck Silvia M.
Published: January 2017

In order to extend the applicability of the regioselective enzymatic carboxylation of phenols, the substrate scope of o‐benzoic acid (de)carboxylases has been investigated towards complex molecules with an emphasis on flavouring agents and polyphenols possessing antioxidant properties. o‐Hydroxycarboxylic acid products were obtained with perfect regioselectivity, in moderate to excellent yields. The applicability of this method was proven by the regioselective bio‐carboxylation of resveratrol on a preparative scale with 95% yield.

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Falsch‐positiver Treffer im Fragment‐basierten Wirkstoffdesign: Lass Dich nicht auf die falsche Fährte locken!
Authors: Cramer Jonathan , Schiebel Johannes , Wulsdorf Tobias , Grohe Kristof , Najbauer Eszter Eva , Ehrmann Frederik R. , Radeva Nedyalka , Zitzer Nina , Linne Uwe , Linser Rasmus , Heine Andreas , Klebe Gerhard
Published: January 2017

Die wachsende Beliebtheit Fragment‐basierter Strategien zur Entwicklung neuer Wirkstoffe macht es notwendig, falsch‐positive Treffer aus affinitätsbasierten Screening‐Kampagnen frühzeitig zu erkennen. Die geringe Größe und niedrige Affinität von Fragmenten bewirkt, dass viele der verwendeten Methoden an den Rand ihrer Nachweisgrenze gelangen. Die unbeabsichtigte Verfolgung einer falschen Fährte kann jedoch zu einem erheblichen Verlust an Zeit und Ressourcen führen. Diese Arbeit untersucht die Ursache für irreführende Ergebnisse aus affinitätsbasierten Screening‐Experimenten für ein Fragment, das von mehreren Methoden als hochpotenter Binder der Aspartylprotease Endothiapepsin (EP) identifiziert wurde. Die biologische Aktivität dieses Moleküls resultiert hauptsächlich aus der spontanen Bildung einer neuen Verbindung durch weitläufige Umlagerung eines heterocyclischen Grundgerüstes. Der neu gebildete Ligand bindet an EP durch induzierte Anpassung des Proteins, wobei die Ausbildung bemerkenswerter elektrostatischer Wechselwirkungen resultiert. Es zeigt sich, dass strukturelle Informationen für die Identifizierung dieses falsch‐positiven Treffers unabdingbar waren.
Odd–Even Alternation in Tautomeric Porous Organic Cages with Exceptional Chemical Stability
Authors: Bera Saibal , Basu Arghya , Tothadi Srinu , Garai Bikash , Banerjee Subhrashis , Vanka Kumar , Banerjee Rahul
Published: January 2017

Amine‐linked (C−NH) porous organic cages (POCs) are preferred over the imine‐linked (C=N) POCs owing to their enhanced chemical stability. In general, amine‐linked cages, obtained by the reduction of corresponding imines, are not shape‐persistent in the crystalline form. Moreover, they require multistep synthesis. Herein, a one‐pot synthesis of four new amine‐linked organic cages by the reaction of 1,3,5‐triformylphloroglucinol (Tp) with different analogues of alkanediamine is reported. The POCs resulting from the odd diamine (having an odd number of −CH2 groups) is conformationally eclipsed, while the POCs constructed from even diamines adopt a gauche conformation. This odd–even alternation in the conformation of POCs has been supported by computational calculations. The synthetic strategy hinges on the concept of Schiff base condensation reaction followed by keto–enol tautomerization. This mechanism is the key for the exceptional chemical stability of cages and facilitates their resistance towards acids and bases.
Stereocontrolled Total Synthesis of (−)‐Stemaphylline
Authors: Varela Ana , Garve Lennart K. B. , Leonori Daniele , Aggarwal Varinder K.
Published: January 2017

Homologation of readily available α‐boryl pyrrolidines with metal carbenoids is especially challenging even when good leaving groups (Cl−) are employed. By performing a solvent switch from Et2O to CHCl3, efficient 1,2‐metalate rearrangement of the intermediate boronate occurs with both halide and ester leaving groups. The methodology was used in the total synthesis of the Stemona alkaloid (−)‐stemaphylline in just 11 steps (longest linear sequence), with high stereocontrol (>20:1 d.r.) and 11 % overall yield. The synthesis also features a late‐stage lithiation–borylation reaction with a tertiary amine containing carbenoid.
Breaking the Tetra‐Coordinated Framework Rule: New Clathrate Ba8M24P28+δ (M=Cu/Zn)
Authors: Dolyniuk Juli‐Anna , Zaikina Julia V. , Kaseman Derrick C. , Sen Sabyasachi , Kovnir Kirill
Published: January 2017

A new clathrate type has been discovered in the Ba/Cu/Zn/P system. The crystal structure of the Ba8M24P28+δ (M=Cu/Zn) clathrate is composed of the pentagonal dodecahedra common to clathrates along with a unique 22‐vertex polyhedron with two hexagonal faces capped by additional partially occupied phosphorus sites. This is the first example of a clathrate compound where the framework atoms are not in tetrahedral or trigonal‐pyramidal coordination. In Ba8M24P28+δ a majority of the framework atoms are five‐ and six‐coordinated, a feature more common to electron‐rich intermetallics. The crystal structure of this new clathrate was determined by a combination of X‐ray and neutron diffraction and was confirmed with solid‐state 31P NMR spectroscopy. Based on chemical bonding analysis, the driving force for the formation of this new clathrate is the excess of electrons generated by a high concentration of Zn atoms in the framework. The rattling of guest atoms in the large cages results in a very low thermal conductivity, a unique feature of the clathrate family of compounds.
Gold‐Catalyzed [3+2]/Retro‐[3+2]/[3+2] Cycloaddition Cascade Reaction of N‐Alkoxyazomethine Ylides
Authors: Sugita Shoichi , Takeda Norihiko , Tohnai Norimitsu , Miyata Mikiji , Miyata Okiko , Ueda Masafumi
Published: January 2017

A novel cascade reaction has been developed for the synthesis of 2,6‐methanopyrrolo[1,2‐b]isoxazoles based on the gold‐catalyzed generation of an N‐allyloxyazomethine ylide. This reaction involves sequential [3+2]/retro‐[3+2]/[3+2] cycloaddition reactions, thus providing facile access to fused and bridged heterocycles which would be otherwise difficult to prepare using existing synthetic methods. Notably, this reaction allows the efficient construction of three C−C bonds, one C−O bond, one C−N bond and one C−H bond, as well as the cleavage of one C−C bond, one C−O bond and one C−H bond in a single operation. The intermolecular cycloaddition of an N‐allyloxyazomethine ylide and the subsequent application of the product to the synthesis of tropenol is also described.
Visible‐Light‐Mediated Remote Aliphatic C−H Functionalizations through a 1,5‐Hydrogen Transfer Cascade
Authors: Shu Wei , Nevado Cristina
Published: January 2017

A redox‐neutral, light‐mediated functionalization of unactivated C(sp3)−H bonds via iminyl radicals is presented here. A 1,5‐H transfer followed by the functionalization of a C(sp2)−H bond takes place in aqueous media producing a variety of elaborated fused ketones. Mechanistic investigations have revealed 1,5‐H transfer as the reversible, rate‐determining step in this transformation. Divergent scaffolds are also accessible via C(sp3)−N bond formation upon a careful choice of the reaction additives.
Biosynthesis of the Carbonylmethylene Structure Found in the Ketomemicin Class of Pseudotripeptides
Authors: Kawata Junpei , Naoe Taiki , Ogasawara Yasushi , Dairi Tohru
Published: January 2017

We recently discovered novel pseudotripeptides, the ketomemicins, which possess a C‐terminal pseudodipeptide connected with a carbonylmethylene instead of an amide bond, through heterologous expression of gene clusters identified in actinobacteria. The carbonylmethylene structure is a stable isostere of the amide bond and its biological significance has been shown in several natural and synthetic products. Despite the biological importance of these compounds, little is known about how the carbonylmethylene structure is biosynthesized. In this work, we fully characterized the biosynthetic machinery of the pseudodipeptide. An aldolase, dehydratase, PLP‐dependent glycine‐C‐acetyltransferase, and dehydrogenase were involved in the formation of the pseudodipeptide, with malonyl‐CoA and phenylpyruvate as starter substrates.
Solution Synthesis, Structure, and CO2 Reduction Reactivity of a Scandium(II) Complex, {Sc[N(SiMe3)2]3}−
Authors: Woen David H. , Chen Guo P. , Ziller Joseph W. , Boyle Timothy J. , Furche Filipp , Evans William J.
Published: January 2017

The first crystallographically characterizable complex of Sc2+, [Sc(NR2)3]− (R=SiMe3), has been obtained by LnA3/M reactions (Ln=rare earth metal; A=anionic ligand; M=alkali metal) involving reduction of Sc(NR2)3 with K in the presence of 2.2.2‐cryptand (crypt) and 18‐crown‐6 (18‐c‐6) and with Cs in the presence of crypt. Dark maroon [K(crypt)]+, [K(18‐c‐6)]+, and [Cs(crypt)]+ salts of the [Sc(NR2)3]− anion are formed, respectively. The formation of this oxidation state of Sc is also indicated by the eight‐line EPR spectra arising from the I=7/2 45Sc nucleus. The Sc(NR2)3 reduction differs from Ln(NR2)3 reactions (Ln=Y and lanthanides) in that it occurs under N2 without formation of isolable reduced dinitrogen species. [K(18‐c‐6)][Sc(NR2)3] reacts with CO2 to produce an oxalate complex, {K2(18‐c‐6)3}{[(R2N)3Sc]2(μ‐C2O4‐κ1O:κ1O′′)}, and a CO2− radical anion complex, [(R2N)3Sc(μ‐OCO‐κ1O:κ1O′)K(18‐c‐6)]n.
Compatibilization of polyhedral oligomeric silsesquioxane for polypropylene–titanium dioxide composites and effect of the processing temperature
Authors: Li Xiao , Mao Hongda , Liu Yuansen , Nie Min , Wang Qi
Published: January 2017

Polyhedral oligomeric silsesquioxanes (POSSs), with inorganic cores, offer excellent mechanical properties and have external organic substituents. On the basis of their hybrid organic−inorganic characteristics, which allow for a tunable reaction or miscibility with various materials, in this study, we introduced a bifunctional POSS as a novel rigid compatibilizer for polypropylene (PP)–titanium dioxide (TiO2) composites and evaluated its compatibilizing effects at different processing temperatures. The results show that the attached hydroxyl and isobutyl groups allowed for the reaction with TiO2 and miscibility with the PP matrix. However, at lower processing temperatures, POSS existed in the form of solid particles, and its interfacial absorption was too poor for sufficient coverage of the TiO2 surface; this resulted in a weak compatibilization effect on the PP–TiO2 composite. When the processing temperature was increased to 240 °C, the solid POSS turned into a liquid and thus had strong mobility; this was favorable for the diffusion of TiO2 onto the surface and the construction of a strong interfacial phase. Because the rigid characteristic of POSS made a positive contribution to the performances of the composites, the PP–TiO2 composites prepared at higher processing temperatures exhibited better mechanical properties, with the maximum increases occurring in the compositions containing 5 wt % POSS. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44766
Chemically modified cellulose nanofibril as an additive for two‐component polyurethane coatings
Authors: Virtanen Sanna , Jämsä Saila , Talja Riku , Heikkinen Harri , Vuoti Sauli
Published: January 2017

The increasing demand for the use of sustainable materials in industrial applications has created an urge to develop technologies that enable the use of biopolymers such as cellulose for the improvement of properties of commercial products. In this study, the potential of the silyl functionalized cellulose nanofibrils (CNF) as a reinforcing additive for the water‐ and solvent‐based two‐component polyurethane (PU) lacquer coatings was evaluated. The addition of the silylated CNF improved the abrasion resistance, strength, and elasticity of the PU coatings. When using the silylated CNF as an additive, the adhesion of the PU coatings was retained. The oxygen permeation rate of the silylated CNF films was strongly influenced by the nature of the solvent. The silylated CNF showed potential as a reinforcing additive even at low loadings in the two‐component PU lacquers. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44801.
Do protected areas mitigate the effects of fisheries‐induced evolution on parental care behaviour of a teleost fish?
Authors: Twardek William M. , Elvidge Chris K. , Wilson Alexander D.M. , Algera Dirk A. , Zolderdo Aaron J. , Lougheed Stephen C. , Cooke Steven J.
Published: January 2017

While the use of aquatic protected areas that exclude angling might be considered an evolutionarily enlightened management approach to dealing with fisheries‐induced evolution (FIE), there is little empirical data on the effectiveness of this approach at maintaining the diversity of phenotypic traits within protected areas.

In species with paternal care, including largemouth bass (Micropterus salmoides), active nest‐guarding and aggression towards potential brood predators by males may render these individuals particularly vulnerable to capture by angling because of increased propensity to attack fishing lures/bait near their nests. Relative levels of aggression by these males during the parental care period correlates with their vulnerability to angling year round. Selective removal of more aggressive individuals by anglers should drive population‐average phenotypes towards lower levels of aggression.

To assess the effectiveness of protected areas at mitigating FIE, the parental care behaviours of wild, free‐swimming male bass were compared during the early nesting period for bass within and outside protected areas in a lake in eastern Ontario. Nesting males within long‐standing aquatic protected areas closed to fishing for >70 years were more aggressive towards bluegill sunfish (Lepomis macrochirus), a potential nest predator, and patrolled larger areas around their nests compared with bass outside of sanctuaries. Males within protected areas were also more likely to strike at artificial fishing lures and were more prone to capture during angling events.

Collectively, the findings suggest that the establishment of protected areas may promote phenotypic diversity such as more attentive and vigorous parental care, relative to areas open to angling. The extent to which this phenomenon occurs in other species and systems is likely to depend on the reproductive strategies of fish and their spatial ecology compared with protected area boundaries, and habitat quality within protected areas.
Split luciferase complementation assay for the analysis of G protein‐coupled receptor ligand response in Saccharomyces cerevisiae
Authors: Fukutani Yosuke , Ishii Jun , Kondo Akihiko , Ozawa Takeaki , Matsunami Hiroaki , Yohda Masafumi
Published: January 2017

The budding yeast Saccharomyces cerevisiae is equipped with G protein‐coupled receptors (GPCR). Because the yeast GPCR signaling mechanism is partly similar to that of the mammalian system, S. cerevisiae can be used for a host of mammalian GPCR expression and ligand‐mediated activation assays. However, currently available yeast systems require several hours to observe the responses because they depend on the expression of reporter genes. In this study, we attempted to develop a simple GPCR assay system using split luciferase and β‐arrestin, which are independent of the endogenous S. cerevisiae GPCR signaling pathways. We applied the split luciferase complementation assay method to S. cerevisiae and found that it can be used to analyze the ligand response of the human somatostatin receptor in S. cerevisiae. On the contrary, the response of the pheromone receptor Ste2 was not observed by the assay. Thus, the split luciferase complementation should be free from the effect of the endogenous GPCR signaling. Biotechnol. Bioeng. 2017;114: 1354–1361. © 2017 Wiley Periodicals, Inc.
A novel approach to characterize host cell proteins associated with therapeutic monoclonal antibodies
Authors: Thomson Andrew S. , Mai Shing , Byrne Michael P.
Published: January 2017

Recombinant monoclonal antibody (mAb) products are widely produced in the pharmaceutical industry using Chinese hamster ovary (CHO) cells. Host cell proteins (HCPs) are one of many process‐related impurities generated during the production of mAb products. The multi‐analyte HCP enzyme linked immunosorbent assay (ELISA) is the industry standard accepted assay to measure clearance of HCPs from recombinant protein therapeutics. While similar platform processes are used for expression and purification, varying amounts of HCPs are found in final drug substances for different mAb products. Through the use of novel ELISA formats, an HCP‐mAb product interaction was identified using a variety of ELISAs to investigate the underlying protein–protein interaction. This result provides evidence to explain why some mAb products have HCPs that are not cleared during purification. This ELISA technique can be used as a high‐throughput screening tool to identify conditions to improve clearance of difficult HCPs during downstream processing purification. In addition, an interaction was observed to occur between anti‐CHO HCP antibodies and mAb products. However, this interaction only occurs under denaturing conditions, and does not interfere with the HCP quantitation obtained by ELISA, and it was demonstrated that the cross‐reactive anti‐CHO HCP antibodies can be removed by affinity purification. Biotechnol. Bioeng. 2017;114: 1208–1214. © 2017 Wiley Periodicals, Inc.