bluuebunny/crossref_metadata_2025 huggingface dataset:
Developing European operational oceanography for Blue Growth, climate change
adaptation and mitigation, and ecosystem-based management
Authors: She Jun , Allen Icarus , Buch Erik , Crise Alessandro , Johannessen Johnny A. , Le Traon Pierre-Yves , Lips Urmas , Nolan Glenn , Pinardi Nadia , Reißmann Jan H. , Siddorn John , Stanev Emil , Wehde Henning
Published: July 2016

Abstract. Operational approaches have been more and more widely developed and used for providing marine data and information services for different socio-economic sectors of the Blue Growth and to advance knowledge about the marine environment. The objective of operational oceanographic research is to develop and improve the efficiency, timeliness, robustness and product quality of this approach. This white paper aims to address key scientific challenges and research priorities for the development of operational oceanography in Europe for the next 5–10 years. Knowledge gaps and deficiencies are identified in relation to common scientific challenges in four EuroGOOS knowledge areas: European Ocean Observations, Modelling and Forecasting Technology, Coastal Operational Oceanography and Operational Ecology. The areas “European Ocean Observations” and “Modelling and Forecasting Technology” focus on the further advancement of the basic instruments and capacities for European operational oceanography, while “Coastal Operational Oceanography” and “Operational Ecology” aim at developing new operational approaches for the corresponding knowledge areas.
17O NMR and Raman Spectroscopies of Green Tea Infusion with Nanomaterial to Investigate Their Properties
Authors: Zhou Changyan , Zhang Huiping , Yan Ying , Zhang Xinya
Published: July 2016

17O NMR and Raman spectrograms of green tea infusions with nanomaterial were investigated. Different green tea infusions were prepared by steeping tea powder with different concentrations of nanomaterial aqueous solution. The tea infusions were tested with 17O NMR and Raman spectroscopies. The 17O NMR results showed that line width increased to 90 in the tea infusions after nanomaterial was added as a result of the effects of the self-association of Ca2+ and tea polyphenol. The results of Raman spectroscopy showed that, in tea infusions, the enhancement of C─C and C─O stretching vibrations suggest an increase in the number of effective components in water.
Analysis of Vitamin D2 and Vitamin D3 in Fortified Milk Powders and Infant and Nutritional Formulas by Liquid Chromatography–Tandem Mass Spectrometry: Single-Laboratory Validation, First Action 2016.05
Authors: Gill Brendon D , Abernethy Grant A , Green Rebecca J , Indyk Harvey E
Published: July 2016

A method for the determination of vitamin D2 and vitamin D3 in fortified milk powders and infant and adult nutritional formulas is described. Samples are saponified at high temperature and lipid-soluble components are extracted into isooctane. A portion of the isooctane layer is transferred and washed, and an aliquot of 4-phenyl-1,2,4-triazoline-3,5-dione is added to derivatize the vitamin D to form a high-molecular-mass, easily ionizable adduct. The vitamin D adduct is then re-extracted into a small volume of acetonitrile and analyzed by RPLC. Detection is by tandem MS, using multiple reaction monitoring. Stable isotope-labeled vitamin D2 and vitamin D3 internal standards are used for quantitation to correct for losses in extraction and any variation in derivatization and ionization efficiencies. A single-laboratory validation of the method using AOAC Stakeholder Panel on Infant Formula and Adult Nutritionals (SPIFAN) kit samples was performed and compared with parameters defined according to the vitamin D Standard Method Performance Requirements (SMPR®). Linearity was demonstrated over the range specified in the SMPR, with the LOD being estimated at below that required. Method spike recovery (vitamin D2, 97.0–99.2%; and vitamin D3, 96.0–101.0%) and RSDr (vitamin D3, 1.5–5.2%) were evaluated and compared favorably with limits in the vitamin D SMPR. Acceptable bias for vitamin D3 was demonstrated against both the certified value for National Institute of Standards and Technology 1849a Standard Reference material (P(α = 0.05) = 0.25) and AOAC INTERNATIONAL reference method 2002.05 (P(α = 0.05) = 0.09). The method was demonstrated to meet the requirements of the vitamin D SMPR as defined by SPIFAN, and was recently approved for Official First Action status by the AOAC Expert Review Panel on SPIFAN Nutrient Methods.
Análise da cobertura vegetal e uso das terras em unidades geoambientais, nos municípios de Castelo do Piauí e Juazeiro do Piauí, Nordeste, Brasil
Authors: Dos Santos Francílio de Amorim , De Aquino Cláudia Maria Sabóia
Published: July 2016

É essencial a utilização do geoprocessamento para mapeamento das unidades geoambientais e sensoriamento remoto para análise da cobertura das terras, principalmente, em Áreas Suscetíveis à Desertificação (ASD), tais como os municípios de Castelo do Piauí e Juazeiro do Piauí. Desse modo, o presente estudo propôs-se a identificar as unidades geoambientais presentes nos municípios de Castelo do Piauí e Juazeiro do Piauí e analisar, por meio das imagens do satélite Landsat 5 TM e do sensoriamento remoto, o estado da cobertura vegetal e o uso das terras nas referidas unidades. Foram identificadas cinco unidades geoambientais, tomando como base os Modelos Digitais de Elevação (MDE) e técnicas de geoprocessamento, a saber: i) Superfície Pedimentada Dissecada em Morros/Colinas e Formas Tabulares de Juazeiro do Piauí; ii) Patamares Estruturais da Bacia do rio Poti; iii) Vale da Bacia do rio Poti; iv) Superfície Pedimentada Dissecada em Morros/Colinas e Formas Tabulares de Castelo do Piauí e v) Rebordos Cuestiformes Conservados do Interior da Bacia Sedimentar do Maranhão/Piauí. Os dados do NDVI, da cobertura e do uso das terras apontaram correlação entre si e evidenciaram que as referidas unidades geoambientais apresentaram aumento nos valores das classes de maior proteção da cobertura vegetal, na redução das atividades agropecuárias e no aumento da caatinga arbustiva e caatinga arbórea. Amplia-se assim o conhecimento sobre a dinâmica ambiental da área em estudo com vista ao seu ordenamento territorial.
Mudança estrutural e diversificação da produção agropecuária no Espírito Santo
Authors: Galeano Edileuza Vital
Published: July 2016

O presente trabalho analisa as mudanças ocorridas na agropecuária do Estado do Espírito Santo entre os anos de 2006 e 2014 relativo à composição do valor da produção deste setor. Foram utilizados o índice de diversificação e o índice de mudança estrutural. Os resultados do índice de diversificação indicam que houve melhora no índice; embora o índice de mudança estrutural tenha indicado que as mudanças foram ainda pouco significativas.
[Pegylation and interferons in multiple sclerosis]
Authors: Centonze Diego , Puma Elisa , Saleri Cecilia , Vestri Giulia , Iannazzo Sergio , Santoni Laura , Giuliani Luigi , Canonico Pier Luigi
Published: July 2016

Pegylation is a procedure used for drug development since the 1970s and consists of the conjugation of a polyethylene glycol molecule (PEG) to a drug. PEG has shown to be safe and effective in improving the pharmacokinetic and pharmacodynamic profile of drugs. Recently, a 20 kDa linear chain of PEG was conjugated to interferon beta-1a with the aim to offer a new treatment option to relapsing-remitting multiple sclerosis (RRMS) patients. Due to a prolonged bioavailability, this new drug can be administered less frequently (every two weeks) than the other interferons beta available, thus allowing to hypothesize a better adherence to the treatment, which, in turn, should result in better clinical and economic outcomes. A phase III clinical trial has proven its effectiveness compared to placebo in RRMS patients, as well as a safety profile comparable to that found in other interferon beta preparations. The immunogenicity of this new molecule is < 1%, thus minimizing the suppression or reduction of interferon beta biological activity that could come from the development of Neutralizing Antibodies (NAbs).[Article in Italian]
The Early Career Hydrogeologists' Network (ECHN-IAH): empowering young hydrogeologists at a national and international level
Authors: Re Viviana , Di Sipio Eloisa
Published: July 2016

Not available.
Estabelecimento de vínculo com a mãe adolescente: vislumbrando o cuidado à criança Bond creating with the teenage mother: glimpsing child care
Authors: Brasil Eysler Gonçalves Maia , Queiroz Maria Veraci Oliveira , Cunha Janice Mayara Holanda , Magalhães Simone da Silveira , Maia Eyslane Gonçalves
Published: July 2016

RESUMO OBJETIVO: Descrever as relações e a formação de vínculo do enfermeiro com a mãe adolescente na consulta de puericultura vislumbrando o cuidado de si e da criança. MÉTODOS: Estudo qualitativo, realizado de fevereiro a maio de 2011 em uma Unidade Básica de Saúde de Fortaleza-CE, utilizando a observação sistemática e a entrevista semiestruturada. Participaram cinco enfermeiros e três mães adolescentes que acompanhavam os filhos neste serviço. As informações colhidas das entrevistas foram submetidas à análise de conteúdo de Bardin, da qual emergiram as categorias: Relações interpessoais e estabelecimento de vínculo com a mãe adolescente-vislumbrando o cuidado à criança; Responsabilidade compartilhada. RESULTADOS: Categoria 1: A consulta de enfermagem em puericultura promove o vínculo do enfermeiro entre a mãe, à criança e a família. Categoria 2: O enfermeiro reforça a co-responsabilidade com a mãe adolescente porque muitas vezes a família se excede nos cuidados ao filho. CONCLUSÃO: Receber com respeito e dignidade foi referido como importante estratégia profissional para acolher e estabelecer o vínculo com a adolescente.
Padrões mínimos para assistência de enfermagem segura a usuários de bebidas alcoólicas Minimum standards for safe nursing care for users of alcoholic beverages
Authors: Rosa Natalina Maria da , Antunes Flavia , Santana Cleiton José , Mazzola Jocimara Costa , Santos Silvino Michele Cristina , Félix de Oliveira Magda Lúcia
Published: July 2016

Objetivo: elaborar padrões mínimos para assistência de enfermagem às pessoas intoxicadas por álcool e atendidas em unidades de atenção às urgências. Método: investigação documental, construída a partir da experiência dos autores como integrantes da equipe assistencial de enfermagem de um centro de assistência toxicológica, alicerçada em revisão de literatura. Resultados: foram apresentados em duas unidades: breve revisão bibliográfica sobre segurança do paciente e de usuários de bebidas alcoólicas atendidos em serviços de urgência, e descrição de padrões mínimos de assistência inicial de enfermagem, necessários à segurança de usuários de bebida alcoólica, em três aspectos: clínico/biológico, psicoemocional e social. Conclusão: A padronização apresentada, além de normatizar a prática de enfermagem, melhora a execução de programas assistenciais em centros de assistência toxicológica.Descritores: Assistência de enfermagem; Segurança; Bebidas Alcoólicas.
A família no cuidado ao idoso após o acidente por quedas The family in the care process of an elderly after a fall accident
Authors: Mirapalheta Pereira-Llano Patricia , Dos Santos Fernanda , Canilha Tortelli Rodrigues Mônica , Aurélio Matos Lemões Marcos , Lange Celmira , Sidney Costa Santos Silvana
Published: July 2016

Objetivo: conhecer o cuidado familiar dedicado ao idoso após o acidente por quedas.Método:abordagem qualitativa e o método utilizado foi inserção ecológica,fundamentada na Teoria dos Sistemas Ecológicos. Resultados: identificou-se que a família executa um importante papel para recuperação do idoso fragilizado, sendo que ela oferece suporte afetivo necessário para o desenvolvimento desse grupo. As intercorrências que acometem os idosos, nesse caso, o acidente por quedas, faz com que as famílias se aproximem, promovendo, assim, uma reestruturação do vínculo familiar e das atividades desenvolvidas por cada membro constituinte desse núcleo. Conclusão: concluí-seque conhecer o cuidado familiar dedicado ao idoso após acidente por queda instrumentaliza e auxilia os profissionais de saúde a direcionarem seu olhar para além dos indivíduos, buscando compreender a funcionalidade familiar como um componente essencial do planejamento assistencial para o alcance do sucesso terapêutico.
Cuidado em saúde às pessoas com transtorno mental na Rede de Atenção Psicossocial Health care to people with mental disorders in the network for psychosocial care
Authors: Demarco Daiane de Aquino , Jardim Vanda Maria da Rosa , Kantorski Luciane Prado
Published: July 2016

Objetivo: Descrever o cuidado em saúde às pessoas com transtorno mental na Rede de Atenção Psicossocial. Métodos: Estudo quantitativo, transversal, descritivo, realizado com 1595 usuários de Centros de Atenção Psicossocial nos três estados da região Sul do Brasil, em 2011. Os dados foram digitados no programa estatístico Epi-info 6.04 e a análise foi realizada no STATA 9.0. Resultados: O percentual de usuários que possuem morbidades não psiquiátricas corresponde a 45,3%. Entre as morbidades não psiquiátricas a hipertensão e a diabetes estão entre as mais referidas. Quanto ao local de atendimento das morbidades não psiquiátricas, a maioria dos participantes informou ser atendido nas Unidades Básicas de Saúde. Conclusão: O transtorno mental é apenas uma das necessidades de cuidado, por isso, é importante pensar esse cuidado para além do transtorno, tendo como foco principal a pessoa e sua complexidade.
Expectativas sociais vivenciadas pelo adulto jovem com a doença renal crônica Social expectations experienced by young adults with chronic kidney disease
Authors: Viegas Aline da Costa , Muniz Rosani Manfrin , Schwartz Eda , Dos Santos Bianca Pozza , Matos Michele Rodrigues , Monfrin Xênia Martins
Published: July 2016

Objetivo: Apontar as expectativas sociais vivenciadas pelo adulto jovem com a doença renal crônica. Métodos: Trata-se de um estudo qualitativo, exploratório e descritivo, utilizando-se da perspectiva teórica de Geertz e Leininger. Foi realizado no período de junho a agosto de 2013, com oito adultos jovens que estavam em tratamento hemodialítico. Resultados: Percebeu-se que a vida dos informantes estava relacionada com as expectativas sociais referentes a essa etapa, com influência dos valores, crenças, normas e modo de viver. Dessa maneira, evidenciou-se que a vida do adulto jovem foi constituída pelo desejo de formação da família, de realizar atividades laborais, de estudos e de lazer. Considerações finais: Como a etapa vivenciada pelo adulto jovem consiste em um período marcado por acontecimentos e realizações, havendo decisões e escolhas importantes, salienta-se a necessidade de uma atenção profissional humana, acolhedora e compreensiva.
Perfil socioeconômico de Trabalhadores Rurais portadores de neoplasia Socioeconomic profile of Rural Workers cancer sufferers
Authors: Silva Adrielle Chermont  da , Camponogara Silviamar , Viero Cibelle Mello , Menegat Robriane Prosdocimi , Dias Gisele Loise , Miorin Jeanini Dalcol
Published: July 2016

Objetivo: Traçar o perfil socioeconômico dos trabalhadores rurais portadores de neoplasia internados em um hospital universitário. Método: estudo do tipo descritivo com abordagem quantitativa, realizado entre agosto de 2013 a janeiro de 2014, através de busca nos prontuários e busca ativa por pacientes internados e que estivessem dentro dos critérios de inclusão. Os dados foram analisados por meio de estatística descritiva. Resultados: Foram entrevistados 59 trabalhadores rurais, advindos de diferentes municípios interioranos, que trabalhavam com variados tipos de cultivos agrícolas. Grande parcela dos entrevistados relatou fazer uso de agrotóxicos, não utilizando EPI. O tipo predominante de neoplasia encontrada foram as neoplasias do sistema digestório. Conclusões: o uso de agrotóxicos é uma realidade para os trabalhadores investigados, levando à exposição a riscos ocupacionais. Os trabalhadores da saúde necessitam implementar estratégias de atenção à saúde desses trabalhadores, no intuito de auxiliar na minimização dos riscos de exposição ocupacional aos agrotóxicos.
A workflow for reproducing mean benthic gas fluxes
Authors: Fulweiler Robinson W. , Emery Hollie E. , Maguire Timothy J.
Published: July 2016

Long‐term data sets provide unique opportunities to examine temporal variability of key ecosystem processes. The need for such data sets is becoming increasingly important as we try to quantify the impact of human activities across various scales and in some cases, as we try to determine the success of management interventions. Unfortunately, long‐term benthic flux data sets for coastal ecosystems are rare and curating them is a challenge. If we wish to make our data available to others now and into the future, however, then we need to provide mechanisms that allow others to understand our methods, access the data, reproduce the results, and see updates as they become available. Here we use techniques, learned through the EarthCube Ontosoft Geoscience Paper of the Future project, to develop best practices to allow us to share a long‐term data set of directly measured net sediment N2 fluxes and sediment oxygen demand at two sites in Narragansett Bay, Rhode Island (USA). This technical report describes the process we used, the challenges we faced, and the steps we will take in the future to ensure transparency and reproducibility. By developing these data and software sharing tools we hope to help disseminate well‐curated data with provenance as well as products from these data, so that the community can better assess how this temperate estuary has changed over time. We also hope to provide a data sharing model for others to follow so that long‐term estuarine data are more easily shared and not lost over time.
Time‐of‐flight mass spectrographs—From ions to neutral atoms
Authors: Möbius E. , Galvin A. B. , Kistler L. M. , Kucharek H. , Popecki M. A.
Published: July 2016

After their introduction to space physics in the mid 1980s time‐of‐flight (TOF) spectrographs have become a main staple in spaceborne mass spectrometry. They have largely replaced magnetic spectrometers, except when extremely high mass resolution is required to identify complex molecules, for example, in the vicinity of comets or in planetary atmospheres. In combination with electrostatic analyzers and often solid state detectors, TOF spectrographs have become key instruments to diagnose space plasma velocity distributions, mass, and ionic charge composition. With a variety of implementation schemes that also include isochronous electric field configurations, TOF spectrographs can respond to diverse science requirements. This includes a wide range in mass resolution to allow the separation of medium heavy isotopes or to simply provide distributions of the major species, such as H, He, and O, to obtain information on source tracers or mass fluxes. With a top‐hat analyzer at the front end, or in combination with deflectors for three‐axis stabilized spacecraft, the distribution function of ions can be obtained with good time resolution. Most recently, the reach of TOF ion mass spectrographs has been extended to include energetic neutral atoms. After selecting the arrival direction with mechanical collimation, followed by conversion to ions, adapted TOF sensors form a new branch of the spectrograph family tree. We review the requirements, challenges, and implementation schemes for ion and neutral atom spectrographs, including potential directions for the future, while largely avoiding overlap with complementary contributions in this special issue.
Ocean worlds in the outer solar system
Authors: Nimmo F. , Pappalardo R. T.
Published: July 2016

Many outer solar system bodies are thought to harbor liquid water oceans beneath their ice shells. This article first reviews how such oceans are detected. We then discuss how they are maintained, when they formed, and what the oceans' likely characteristics are. We focus in particular on Europa, Ganymede, Callisto, Titan, and Enceladus, bodies for which there is direct evidence of subsurface oceans. We also consider candidate ocean worlds such as Pluto and Triton.
Biomaterials for Abrogating Metastasis: Bridging the Gap between Basic and Translational Research
Authors: Conde João , Shomron Noam , Artzi Natalie
Published: July 2016

Herein lies the issue of how to best approach cancer metastasis therapeutics in a focused, directed and efficacious manner. The lack of standardized means to efficiently deliver therapeutic cargo to metastatic sites calls for a paradigm shift in the way we view and treat metastasis. It is crucial to leverage the potential of nanomedicine to differentially combat cancer spread at each stage of the disease (primary tumor growth and formation of metastases) while considering the optimal administration route. We propose to implement three possible strategies to treat cancer as a function of disease type and state, while leveraging the advancement in materials design and in particular nanotechnology: (1) local primary tumor abrogation; (2) primary tumor re‐programming to prevent metastasis; and (3) combination (local and systemic) therapy when metastasis has already transpired. Herein, we highlight potential means to bridge the gap between basic and translational research as related to metastasis therapy.
Dose response of task‐specific upper limb training in people at least 6 months poststroke: A phase II, single‐blind, randomized, controlled trial
Authors: Lang Catherine E. , Strube Michael J. , Bland Marghuretta D. , Waddell Kimberly J. , Cherry‐Allen Kendra M. , Nudo Randolph J. , Dromerick Alexander W. , Birkenmeier Rebecca L.
Published: July 2016

Objective

The objectives of this work were to (1) determine whether higher doses of motor therapy in chronic poststroke hemiparesis result in better outcomes, compared to lower doses, and (2) evaluate potential modifiers of the dose‐response relationship.

Methods

Eighty‐five adults with upper extremity paresis ≥6 months poststroke were randomized to one of four dose groups in this single‐blind, parallel, randomized, control trial. The dosing parameter manipulated was amount of task‐specific training, as indexed by the number of task repetitions. Groups received 3,200, 6,400, 9,600, or individualized maximum (IM) repetitions, during 1‐hour sessions, 4 days/week for 8 weeks. The intervention was an individualized, progressive, task‐specific upper‐limb training program designed to improve upper‐limb functional motor capacity. The primary outcome was the slope of the Action Research Arm Test (ARAT) during the intervention. Effects of dose and potential modifiers of the dose‐response relationship were evaluated with hierarchical linear models.

Results

ARAT scores for the 3,200, 9,600, and IM groups improved over time as indicated by slopes (ΔARAT/week, mean ± standard errors) of 0.40 ± 0.15, 0.31 ± 0.16, and 0.66 ± 0.14, respectively (p < 0.05). The slope of the 6,400 group was smaller (−0.05 ± 0.15) and significantly different from the 3,200 and IM groups (p < 0.001). Initial motor capacity, neglect, and other tested characteristics did not modify the dose‐response relationship.

Interpretation

Overall, treatment effects were small. There was no evidence of a dose‐response effect of task‐specific training on functional capacity in people with long‐standing upper‐limb paresis poststroke. Ann Neurol 2016;80:342–354
Formation and Reversible Morphological Transition of Bicontinuous Nanospheres and Toroidal Micelles by the Self‐Assembly of a Crystalline‐b‐Coil Diblock Copolymer
Authors: Presa‐Soto David , Carriedo Gabino A. , de la Campa Raquel , Presa Soto Alejandro
Published: July 2016

We herein report the formation of two complex nanostructures, toroidal micelles and bicontinuous nanospheres, by the self‐assembly of the single structurally simple crystalline‐b‐coil diblock copolymer poly[bis(trifluoroethoxy)phosphazene]‐b‐poly(styrene), PTFEP‐b‐PS, in one solvent (THF) and without additives. The nature of these nanostructures in solution was confirmed by DLS and cryo‐TEM experiments. The two morphologies are related by means of a new type of reversible morphological evolution, bicontinuous‐to‐toroidal, triggered by changes in the polymer concentration. WAXS experiments showed that the degree of crystallinity of the PTFEP chains located at the core of the toroids was higher than that in the bicontinuous nanospheres, thus indicating that the final morphology of the aggregates is mostly determined by the ordering of the PTFEP core‐forming blocks.
Biodegradable nanocomposites based on starch/polycaprolactone/compatibilizer ternary blends reinforced with natural and organo‐modified montmorillonite
Authors: Guarás M. P. , Alvarez V. A. , Ludueña L. N.
Published: July 2016

In this article, biodegradable polymer/clay nanocomposites were prepared. The matrices used were based on blends of Polycaprolactone (PCL) and Anhydride‐Functional Polycaprolactone (PCL‐gMA) with Thermoplastic Starch (TPS). Nanocomposites films based on PCL/TPS and PCL/PCL‐g‐MA/TPS blends reinforced with 1 and 3 wt % of natural montmorillonite and two organo‐modified ones were prepared by melt intercalation followed by compression molding. The study was designed focusing on packaging applications. Grafting maleic anhydride onto PCL was efficient to improve PCL/TPS compatibility but did not modify matrix/nanoclay interaction. Matrix compatibilization and nanoclays increased the Younǵs modulus and slightly decreased the maximum stress of the TPS/PCL matrix. Nanoclay functionalization improved nanoclay dispersion in the blends but it was not reflected in mechanical properties improvements. The water adsorption of the compatibilized matrix was reduced after clay incorporation. A slight decrease in the biodegradation rate was observed with the addition of nanoclay. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 44163.
Improved Electrochromic Performance of Poly(3,4‐ethylenedioxythiophene) by Incorporating a Three‐Dimensionally Ordered Macroporous Structure
Authors: Zhang Hangchuan , Qu Huiying , Lv Haiming , Hou Shuai , Zhang Kun , Zhao Jiupeng , Li Xingang , Frank Endres , Li Yao
Published: July 2016

In this paper, three‐dimensionally ordered macroporous (3DOM) poly(3,4‐ethylenedioxythiophene) (PEDOT) films were electropolymerized from an ionic liquid, 1‐butyl‐3‐methylimidazolium hexafluorophosphate ([Bmim]PF6). The electrochromic performances of the 3DOM PEDOT films were studied. The 3DOM films exhibited high transmittance modulation (41.2 % at λ=580 nm), high ionic fast switching speeds (0.7 and 0.7 s for coloration and bleaching, respectively), and enhanced cycling stability relative to that exhibited by the dense PEDOT film. The relationship between the declining behavior of the transmittance modulation and the nanostructure of the film was investigated. A three‐period decay process was proposed to understand the declining behavior. The 3D interconnected macroporous nanostructure is beneficial for fast ion and electron transportation, high ion accessibility, and maintenance of structure integrity, which result in enhanced cycling stability and fast switching speeds.
Silver‐Catalyzed Isocyanide–Isocyanide [3+2] Cross‐Cycloaddition Involving 1,2‐Group Migration: Efficient Synthesis of Trisubstituted lmidazoles
Authors: Wang Hongwei , Kumar Rapolu Kiran , Yu Yang , Zhang Lin , Liu Zhaohong , Liao Peiqiu , Bi Xihe
Published: July 2016

Imidazole ring is an important five‐membered aromatic heterocycle that is widely present in natural products and synthetic molecules. The isocyanide–isocyanide [3+2] cross‐cycloaddition reaction constitutes a straightforward method to access imidazoles starting from the easily available chemicals. So far, only three successive reports are known and all lead to the formation of 1,4‐disubstituted imidazoles. Here, we report the first isocyanide–isocyanide [3+2] cross‐cycloaddition reaction allowing for the formation of 1,4,5‐trisubstituted imidazoles under silver catalysis. An unexpected 1,2‐migration of sulfonyl, alkoxycaybonyl, and carbamoyl groups took place during the cyclization process that is responsible for the formation of trisubstituted imidazoles. This report displayed a mechanistically novel synthetic method toward a variety of imidazole derivatives, which are otherwise difficult to access by conventional methods.
The characterization of plant species using first‐derivative fluorescence spectra
Authors: Yang Jian , Shi Shuo , Gong Wei , Du Lin , Sun Jia , Song Shalei
Published: July 2016

Plants are one of the most important parts of the ecological system and demand a reliable method for accurate classification. In this study, the first‐derivative fluorescence spectral curves (FDFSCs) based on laser‐induced fluorescence technology were proposed for the characterization of plant species. The measurement system is mainly composed of a spectrometer, an excitation light source (the two excitation wavelengths are 460 and 556 nm, respectively), and an intensified charge‐coupled device camera. FDFSCs were calculated from the deviation between the fluorescence values at each wavelength, plus and minus one band, divided by the wavelength range. Principal component analysis was utilized to analyze the FDFSCs by extracting the main attributes and reducing the dimensionality of variables. A support vector machine was used to evaluate FDFSC performance for the identification of plant species. Plant species that are difficult to distinguished by the naked eye, can be identified effectively using the proposed FDFSCs. For the 556 nm and 460 nm excitation wavelengths, the overall identification rates of the six plant species evaluated were 93.3% and 91.7%, respectively. Experimental results demonstrated that the combination of the FDFSCs with multivariate analysis could provide a simple and reliable method for the characterization of plant species.
Mechanistic Study of Ni/CeO2‐catalyzed CO2/CH4 Reaction Using Flow and Static Methods
Authors: Kang Jin‐Gyu , Roh Joong‐Seok , Kim Ji‐Yeong , Lee Sung‐Han , Choi Joong‐Gill
Published: July 2016

Ni/CeO2
catalysts with different Ni loadings (5, 7, 10, 12, and 14 wt% Ni) were prepared by an impregnation method and examined for the CO2 reforming of methane using flow and static reactors. Their catalytic activities and selectivities were measured under CO2/CH4/Ar (=5/5/40 cm3/min) flow at 450–800°C using a flow reactor system with an on‐line gas chromatography. At fixed temperature, the CO2 and CH4 conversions varied only slightly with the Ni wt%, whereas the H2/CO ratio increased with increasing Ni wt%. The conversions increased with temperature, reaching 98% at 800°C. The H2/CO ratio varied with temperature in the range of 450–800°C, from less than 1 below 550°C to close to 1 at 550–600°C and then back to less than 1 above 600°C. The apparent activation energies were determined to be 43.1 kJ/mol for the CO2 consumption and 50.2 kJ/mol for the CH4 consumption based on the rates measured for the reforming reaction over 5 wt% Ni/CeO2 catalyst at 550–750°C. Additionally, the catalytic reforming reaction at low pressure (40 Torr) was investigated by a static reactor system by using a differential photoacoustic cell, in which the rates were measured from the CO2 photoacoustic signal data at early reaction times over the temperature range of 460–610°C. Apparent activation energies of 25.5–30.1 kJ/mol were calculated from the CO2 disappearance rates. The CO2 adsorption on the Ni/CeO2 catalyst was investigated by the CO2 photoacoustic spectroscopy and Fourier transform infrared spectroscopy. Feasible side reactions during the catalytic CO2/CH4 reaction were suggested on the basis of the kinetic and spectroscopic results.
Synthesis of Tetrasubstituted Thieno[3,2‐b]pyridin‐5(4H)‐one Derivatives as a Heterocyclic Scaffold for Multisite‐specific Fluorous Fluorescent Tagging and Fluorous Solid‐Phase Extraction
Authors: Jeon Moon‐Kook , Yi Su‐Jin , Son Seung Uk
Published: July 2016

Tetrasubstituted thieno[3,2‐b]pyridin‐5(4H)‐one derivatives were selected as a highly functionalized heterocyclic scaffold for a multisite‐specific tagging process utilizing a previously devised fluorous fluorescent tag system. A suitable synthetic method was established for the 7‐alkoxy‐2,4,6‐trisubstituted‐thieno[3,2‐b]pyridin‐5(4H)‐one derivatives, and incorporating t‐butoxycarbonyl‐functionalized building blocks into the reaction sequence produced precursors that could be used in the tagging process. Fluorous solid‐phase extraction facilitated the purification of the tagged target compounds after a series of reactions, including t‐Bu deprotection/N‐hydroxysuccinimidyl ester formation/amidation.
Efficacy of topotecan in pretreated metastatic poorly differentiated extrapulmonary neuroendocrine carcinoma
Authors: Apostolidis Leonidas , Bergmann Frank , Jäger Dirk , Winkler Eva Caroline
Published: July 2016

Therapeutic options for metastatic poorly differentiated neuroendocrine carcinoma (NEC) after prior platinum‐based chemotherapy are limited. Topotecan is an approved second‐line chemotherapy for small cell lung cancer (SCLC). NEC is often considered to show a biological behavior similar to SCLC. The aim of this study was to analyze the efficacy of topotecan in pretreated metastatic NEC patients. We performed a retrospective analysis of all patients treated with topotecan for metastatic NEC who presented at our center between January 2005 and December 2014 (n = 30). All 30 patients had received at least a platinum and etoposide containing regimen as prior chemotherapy. Median proliferation rate (Ki67) was 80%. As best response to topotecan five patients showed a stable disease, two patients a partial remission, resulting in a disease control rate of 23%. Of the remaining 23 patients, 14 (47%) showed a progressive disease, nine (30%) died before radiologic response could be evaluated. Median progression‐free (PFS) and overall survival (OS) after start of topotecan was 2.1 and 4.1 months, respectively. In the subgroup analysis, patients with unknown primary (vs. those with a known primary) showed a significantly prolonged PFS of 3.5 months (vs. 1.9, P = 0.0107) and OS of 6.7 months (vs. 2.6 months, P = 0.0168). Grade 3/4 hematotoxicity was observed in 60% of patients. Topotecan shows only moderate antitumor activity in metastatic NEC. Disease control rate is lower than reported for SCLC. However, antitumor activity of topotecan seems higher in patients with unknown primary.
Essential‐Oil Variability in a Collection of Ocimum basilicum L. (Basil) Cultivars
Authors: Maggio Antonella , Roscigno Graziana , Bruno Maurizio , De Falco Enrica , Senatore Felice
Published: July 2016

Ocimum basilicum L. (Lamiaceae) is an aromatic plant of great tradition in the Mediterranean area. Its economic importance is growing up determining an expansion of cultivation. This paper evaluated the morphological traits, the chemical profiles, and antibacterial activity of 21 cultivars of basil belonging to ʻGenoveseʼ, ʻNapoletanoʼ, and ʻPurple basilʼ types. The cultivars were characterized by different growth rate and morphological traits. The chemical composition of the oils analyzed by GC and GC/MS analysis, supported by the PCA analysis, underlined the strong influence of chemotype. It is noteworthy that estragole, never present in Genovese and purple basil types, occurred in Napoletano type. The high presence of eugenol, methyl eugenol, and linalool in the majority of cultivars, belonging both to Genovese and to Napoletano types was registered. Of great interest resulted the composition of the purple basil ʻOpalʼ. All the samples tested exhibited similar antibiotic profiles with moderate antibacterial activity. The results enhanced the importance of determination of essential‐oil profile in the selection of cultivars characterized by diverse morphological traits and are useful for different purposes.
Molecular modeling studies of human immunodeficiency virus type 1 protease inhibitors using three‐dimensional quantitative structure‐activity relationship, virtual screening, and docking simulations
Authors: Tong Jianbo , Zhan Pei , Bai Min , Yao Tuanli
Published: July 2016

In this paper, two 3‐dimensional quantitative structure‐activity relationship models for 60 human immunodeficiency virus (HIV)‐1 protease inhibitors were established using random sampling analysis on molecular surface and translocation comparative molecular field vector analysis (Topomer CoMFA). The non–cross‐validation (r2), cross‐validation (q2), correlation coefficient of external validation (Q2ext), and F of 2 models were 0.94, 0.80, 0.79, and 198.84 and 0.94, 0.72, 0.75, and 208.53, respectively. The results indicated that 2 models were reasonable and had good prediction ability. Topomer Search was used to search R groups in the ZINC database, 20 new compounds were designed, and the Topomer CoMFA model was used to predicate the biological activity. The results showed that 18 new compounds were more active than the template molecule. So the Topomer Search is effective in screening and can guide the design of new HIV/AIDS drugs. The mechanism of action was studied by molecular docking, and it showed that the protease inhibitors and Ile50, Asp25, and Arg8 sites of HIV‐1 protease have interactions. These results have provided an insight for the design of new potent inhibitors of HIV‐1 protease.
Transition‐Metal‐Catalyzed Electrophilic Amination: Application of O‐Benzoylhydroxylamines in the Construction of the C−N Bond
Authors: Dong Xu , Liu Qing , Dong Yunhui , Liu Hui
Published: July 2016

Transition‐metal‐catalyzed electrophilic amination has been developed into a powerful tool for C−N bond construction. So far, O‐benzoylhydroxylamines are the most widely used electrophilic aminating reagents. Herein, we summarize the recent advances of O‐benzoylhydroxylamines involved in electrophilic amination catalyzed by transition metals. Several pioneering studies and some of the relevant mechanisms are discussed in this review.
A Red‐Emitting Luminescent Material Capable of Detecting Low Water Content in Organic Solvents
Authors: Wang Tianren , Li Huanrong
Published: July 2016

A new red‐emitting luminescent material was prepared from a gel formed by simply mixing EuCl3⋅6 H2O and 4′‐para‐phenylcarboxyl‐2,2′:6′,2′′‐terpyridine (Hcptpy) in a molar ratio of 1:2 in anhydrous ethanol at room temperature. It shows bright red luminescence dominated by the 5D0→7F2 transition of Eu3+, a long lifetime (1.16 ms), a high absolute quantum yield (48.2 %), and good thermostability (stable up to 500 °C). In addition, the luminescence of the material can be easily quenched by contact with water, which makes it suitable for detecting low contents of water (0.1–1.5 vol %) in common organic solvents such as diethyl ether and THF.
An Entry to Mixed NHC–Fischer Carbene Complexes and Zwitterionic Group 6 Metal Alkenyls
Authors: Sierra Miguel A. , Merinero Alba D. , Giner Elena A. , Gómez‐Gallego Mar , Ramírez de Arellano Carmen
Published: July 2016

The addition of NHCs to α,β‐unsaturated Cr0 and W0 (Fischer) carbene complexes is strongly dependent on the electrophilicity of the carbene carbon. Electrophilic alkoxy–carbene complexes quantitatively react with NHCs to yield stable zwitterionic (racemic) Cr0‐ and W0‐alkenyls with total regio‐ and E‐stereoselectivity. Less electrophilic aminocarbenes react with NHCs to promote the displacement of a CO ligand and yield “mixed” NHC/Fischer biscarbenes in a process that is unprecedented in group 6 metal–carbene chemistry. In fact, the compounds prepared, are some of the scarce examples of Fischer bisylidenes reported in the literature. The electrochemistry of the zwitterionic Cr0‐ and W0‐alkenylcomplexes made, show that these compounds have a strong reductor character, which is demonstrated in their reactions towards [Ph3C][PF6]. The oxidation processes lead to new types of cationic Fischer mono‐ and biscarbene complexes having a charged NHC fragment in their structures, in a new example of the use of electron‐transfer reactions as a method to prepare novel group 6 (Fischer) carbene complexes.
Switching the Photochromic Activity of Acenaphthylene Derivatives through a Tandem Nucleophile‐Promoted Addition Reaction
Authors: Lambruschini Chiara , Banfi Luca , Guanti Giuseppe
Published: July 2016

New acenaphthylene‐based dithienylethenes have been prepared. Surprisingly they did not show photochromism. However, they readily underwent a tandem addition of a nucleophile and an electrophile, leading to a small library of dearomatized colourless analogues, which, on the contrary, were endowed with photochromic activity. In the absence of the electrophile, the intermediate obtained by C‐attack readily aromatizes to give, surprisingly, a final product of direct aromatic nucleophilic substitution, which was not photochromically active.
ChemInform Abstract: Metal—Organic Frameworks as Catalysts for Oxidation Reactions
Authors: Dhakshinamoorthy Amarajothi , Asiri Abdullah M. , Garcia Hermenegildo
Published: July 2016

Review: 78 refs.
Vapour‐liquid equilibrium and distillation scheme for the hydrochloric acid‐ethanol‐water ternary mixture
Authors: López Vélez José Sebastián , Dobrosz‐Gómez Izabela , Gómez García Miguel Ángel
Published: July 2016

This work reports the Vapour‐Liquid Equilibrium (VLE) data, at 78 kPa, for a HCl‐ethanol‐water ternary mixture at low HCl content (x ≤ 0.137, which corresponds to HCl usual commercial form). The data were adjusted using the electrolyte‐NRTL activity model. The obtained predictions presented an absolute average deviation of 0.853 %. Next, this model was used to construct the residue curve map of the HCl‐ethanol‐water mixture. The analysis of its topology provided a fundamental understanding of the ternary mixture behaviour upon distillation process. Four different separation regions were identified. Finally, based on the residue curve map, a distillation column was designed to accomplish three design constraints: HCl‐water commercial product composition, maximum ethanol recovery for recycle, and minimum energetic duty in the reboiler.
Multicomponent Petasis‐borono Mannich Preparation of Alkylaminophenols and Antimicrobial Activity Studies
Authors: Neto Íris , Andrade Joana , Fernandes A. S. , Pinto Reis Catarina , Salunke Jagadish K. , Priimagi Arri , Candeias Nuno R. , Rijo Patrícia
Published: July 2016

In this work we report the antibacterial activity of alkylaminophenols. A series of such compounds was prepared by a multicomponent Petasis‐borono Mannich reaction starting from salicylaldehyde and its derivatives. The obtained compounds were tested against a large panel of microorganisms, Gram‐positive and Gram‐negative bacteria, and a yeast. Among the several tertiary amine derivatives tested, indoline‐derived aminophenols containing a nitro group at the para‐phenol position showed considerable activity against bacteria tested with minimal inhibitory concentrations as low as 1.36 μm against Staphyloccocus aureus and Mycobacterium smegmatis. Cytotoxicity of the new para‐nitrophenol derivatives was observed only at concentrations much higher than those required for antibacterial activity.
Structure, Function, and Inhibition of Staphylococcus aureus Heptaprenyl Diphosphate Synthase
Authors: Desai Janish , Liu Yi‐Liang , Wei Hongli , Liu Weidong , Ko Tzu‐Ping , Guo Rey‐Ting , Oldfield Eric
Published: July 2016

We report the first structure of heptaprenyl diphosphate synthase from Staphylococcus aureus (SaHepPPS), together with an investigation of its mechanism of action and inhibition. The protein is involved in the formation of menaquinone, a key electron transporter in many bacteria, including pathogens. SaHepPPS consists of a “catalytic ” subunit (SaHepPPS‐2) having two “DDXXD” motifs and a “regulatory” subunit (SaHepPPS‐1) that lacks these motifs. High concentrations of the substrates, isopentenyl diphosphate and farnesyl diphosphate, inhibit the enzyme, which is also potently inhibited by bisphosphonates. The most active inhibitors (Ki∼200 nm) were N‐alkyl analogues of zoledronate containing ∼C6 alkyl side chains. They were modestly active against S. aureus cell growth, and growth inhibition was partially “rescued” by the addition of menaquinone‐7. Because SaHepPPS is essential for S. aureus cell growth, its structure is of interest in the context of the development of menaquinone biosynthesis inhibitors as potential antibiotic leads.
Intramolecular Charge Transfer and Solvation of Photoactive Molecules with Conjugated Push–Pull Structures
Authors: Zhu Huaning , Wang Xian , Ma Renjun , Kuang Zhuoran , Guo Qianjin , Xia Andong
Published: July 2016

A comparative investigation on the photophysical properties and solvation‐related ICT dynamics of three push–pull compounds containing different donors including carbazole, triphenylamine and phenothiazine, was performed. The steady‐state spectra and theoretical calculations show the charge transfers from the central donors to the acceptors at each side. The characterization of the extent of charge transfer was determined by various means, including estimation of the dipole moment, the electron density distribution of HOMO and LUMO, CDD and change in Gibb's free energy, which show the charge transfer strength to be in the order PDHP > BDHT > PDHC. This suggests that the electron‐donating ability of the donor groups plays a crucial role in the charge transfer in these compounds. The TA data show the excited‐state relaxation dynamics follow a sequential model: FC→ICT→ICT′→S0, and are affected by the solvent polarity. The results presented here demonstrate that the compound with a higher degree of ICT characteristic interacts more strongly with stronger polar solvent molecules, which can accelerate the solvation and spectral evolution to lower energy levels. The A–π‐D–π‐A architectures with prominent ICT characteristics based on carbazole, triphenylamine and phenothiazine might be potential scaffolds for light‐harvesting and photovoltaic devices. These results are of value for understanding structure–property relationships and the rational design of functional materials for photoelectric applications.
Sublimation‐like behavior of cardiac dynamics in heart failure: A malignant phase transition?
Authors: Goldberger Ary L. , Henriques Teresa S. , Mariani Sara
Published: July 2016

An abrupt transition from sinus rhythm to atrial fibrillation (AF) is common in patients with chronic heart failure (CHF). We propose a conceptual framework for viewing this malignant transition in terms of a type of sublimation marked by the switch from highly periodic sinus interbeat interval dynamics characteristic of CHF to a state of random disorganization with AF. Sublimation of physical substances involves an increase in entropy via heat transfer. In contrast, the disease‐related sublimation‐like behavior involves a loss of information content, associated decreases in cardiac bioenergetic capacity and in multiscale entropy. © 2016 Wiley Periodicals, Inc. Complexity 21: 24–32, 2016