bluuebunny/crossref_metadata_2025 huggingface dataset:
Sustentabilidade ambiental nos hotéis, contribuição teórica e metodológica
Authors: Da Rosa Fabricia Silva , Silva Luana Caroline
Published: December 2016

A sustentabilidade ambiental é um assunto multidisciplinar e sua abrangência tem chamado a atenção de pesquisadores de várias áreas do saber. Nesta perspectiva, destaca-se a gestão ambiental em empresas hoteleiras, por dois aspectos, primeiramente a importância econômica dos hotéis que constituem um elemento-chave do setor de turismo, e em segundo lugar, a atividade gera impactos ambientais que necessitam ser gerenciados. Dessa maneira, compreende-se que cabe investigar como o tema é tratado no meio acadêmico. Nesse sentido, o objetivo da presente pesquisa, de natureza exploratório-descritiva, consiste no mapeamento do tema gestão da sustentabilidade em hotéis, segundo as delimitações postas pelos pesquisadores. Para cumprir tal propósito, utilizou-se o processo Knowledge Development Process – Constructivist (ProKnow-C). Ao final do levantamento, identificaram-se 13 artigos publicados em periódicos internacionais alinhados às delimitações postas pelos pesquisadores. Na montagem do Portfólio Bibliográfico (PB), evidenciaram-se: (i) aspectos de relevância e aderência dos artigos ao tema; (ii) propostas e resultados obtidos nas pesquisas; (iii) contribuição teórica e metodológica das pesquisas divulgadas nos artigos do PB. Os resultados revelam que o tema é relevante e atual, que carece de processo estruturado para avaliar a gestão ambiental afim de apoiar decisões gerenciais.
Atributos determinantes na decisão de compra e satisfação dos clientes: um estudo em estabelecimentos que comercializam comida de rua
Authors: Loriato Hannah Nicchio , Pelissari Anderson Soncini
Published: December 2016

Os atributos de um produto podem variar substancialmente na importância que eles têm para diferentes consumidores, assim a partir da concepção de que há diferentes graus de importância em relação aos atributos e que essa importância influência na decisão de compra. Este artigo tem como objetivo identificar quais atributos são determinantes para os consumidores na tomada de decisão de compra em estabelecimentos que comercializam comida de rua. Trata-se de um estudo de natureza qualitativa e quantitativa. Na fase qualitativa foi realizada uma entrevista semiestruturada com 16 clientes e analisada por meio da análise de conteúdo. Para o levantamento dos dados na fase quantitativa foi realizado um survey, com a aplicação de 200 questionários. A análise desta fase quantitativa foi realizada com a utilização do Excel e do SPSS, com emprego de técnicas de estatística multivariada. Os resultados indicaram que o serviço oferecido é o constructo considerado determinante para a decisão de compra dos clientes. Esta pesquisa propicia a ampliação desse escopo de pesquisas no país, bem como contribui para os empreendedores no setor de street food que buscam estratégias para se manterem firmes no mercado.
The Atmospheric Circulation Reconstructions over the Earth (ACRE) initiative ACRE China workshop: Recovery, digitization, and analysis of pre‐mid‐twentieth century climate observational data in East Asia workshop on 23–24 August, Beijing, China
Authors: Williamson F. , Ren Guoyu , Allan Rob
Published: December 2016

This commentary discusses a recent workshop designed to explore the extant historic instrumental record of weather observations for China, East Asia, and the China Seas region; to uncover new sources of observations; and to work on joint initiatives for their recovery and inclusion in open access data sets. The workshop was funded by the UK Newton Fund's Climate Science for Service Partnership China. It was organized by the Atmospheric Circulation Reconstructions over the Earth China, the China Meteorological Administration (CMA), the Beijing Climate Centre, and the China University of Geosciences (Wuhan) and held at CMA offices in Beijing.
Facile Preparation of the Porous PDMS Oil‐Absorbent for Oil/Water Separation
Authors: Yu Cunlong , Yu Cunming , Cui Liying , Song Zhiyang , Zhao Xinyu , Ma Ying , Jiang Lei
Published: December 2016

Nowadays, oily wastewater and spilled oil have caused great threats on both ecosystem and human life. To address these severe problems, considerable efforts have been possessed on developing novel oil/water separation materials. The porous oil‐absorbent materials, especially the porous polydimethylsiloxane (PDMS) with excellent properties of easy fabrication and inherent hydrophobicity, have attracted tremendous attentions from worldwide. The conventional methods using salt or sugar as sacrificial template and water as solvent have been widely adopted to fabricate the porous PDMS sponge. Due to the inherent hydrophobicity of PDMS, the solvent of water hardly penetrates into the inside of PDMS, which results in the difficult and incomplete remove of the hard template. In this contribution, the 3D interconnected porous PDMS sponge is facilely prepared by utilizing a modified technique with the citric acid monohydrate as hard template and ethanol as solvent. The proposed approach is capable of removing the hard template efficiently and thoroughly, which demonstrates promising utilizations in practical applications.
Spontaneous Buckling of Multiaxially Flexible and Stretchable Interconnects Using PDMS/Fibrous Composite Substrates
Authors: Rogel Régis , Borgne Brice Le , Mohammed‐Brahim Tayeb , Jacques Emmanuel , Harnois Maxime
Published: December 2016

An original strategy is described to address a critical issue for flexible and stretchable electronics. For the first time, buckling of prestrain‐free stiff film (spontaneous buckling) is achieved on composite substrate benefiting from fibrous nature of daily life substrates such as paper, textiles or bandage. This new strategy allows the processing of microstructures which are directly embedded in a fibrous substrate during fabrication process. Multiaxially compressive strain due to fibrous material shrinkage is strong enough to induce multiaxially stiff film buckling. Moreover, additional fibrous material prestretching leads to enhance the buckling effect allowing buckled ribbons use as interconnections. As a result, 80% maximum elongation is obtained before interconnections mechanical and electrical failure.
A sensor of m‐cresol nanopolymer/Pt‐electrode film for detection of lead ions by potentiometric methods
Authors: Sayyah El‐Said M. , Shaban Mohamed , Rabia Mohamed
Published: December 2016

A sensor of m‐cresol polymer film‐coated platinum electrode has been fabricated for the detection of lead (II) ions (Pb2+) in aqueous solutions. The study was carried out by the simple potentiometric method by measuring its potentiometric response slope and was confirmed by the cyclic voltammetry technique. The effects of the polymer film thicknesses and the pH of Pb2+ solution on the response of the sensor were studied. Moreover, the stability, sensitivity, and selectivity of the m‐cresol sensor were studied. The best thickness of polymer film was about three cyclic voltammetric runs. This film has Nernstian response slope of 26.5 mV/decade with a detection limit of 1.0 × 10−7 M at 293 K by the simple potentiometric method. Also, it has a sensitivity of 1.1 × 10−6/AM with a detection limit of 7.0 × 10−7 M by the cyclic voltammetry method. Moreover, the sensor is selective to Pb2+ ions in the presence of other ions, such as Na+, K+, Mg2+, Ca2+, Co2+, Ni2+, and Zn2+. Also, the highest response of the sensor to the Pb2+ ions is achieved over a pH range of 4.0–5.3. The lifetime of the sensor is more than 1 month. The sensor was applied on two natural samples, and the results were compared to the analyses of the atomic absorption spectrophotometer.
Cerium Oxide Decorated Polymer Nanofibers as Effective Membrane Reinforcement for Durable, High‐Performance Fuel Cells
Authors: Breitwieser Matthias , Klose Carolin , Hartmann Armin , Büchler Andreas , Klingele Matthias , Vierrath Severin , Zengerle Roland , Thiele Simon
Published: December 2016

High‐power, durable composite fuel cell membranes are fabricated here by direct membrane deposition (DMD). Poly(vinylidene fluoride‐co‐hexafluoropropylene) (PVDF‐HFP) nanofibers, decorated with CeO2 nanoparticles are directly electrospun onto gas diffusion electrodes. The nanofiber mesh is impregnated by inkjet‐printed Nafion ionomer dispersion. This results in 12 µm thin multicomponent composite membranes. The nanofibers provide membrane reinforcement, whereas the attached CeO2 nanoparticles promote improved chemical membrane durability due to their radical scavenging properties. In a 100 h accelerated stress test under hot and dry conditions, the reinforced DMD fuel cell shows a more than three times lower voltage decay rate (0.39 mV h−1) compared to a comparably thin Gore membrane (1.36 mV h−1). The maximum power density of the DMD fuel cell drops by 9%, compared to 54% measured for the reference. Impedance spectroscopy reveals that ionic and mass transport resistance of the DMD fuel cell are unaffected by the accelerated stress test. This is in contrast to the reference, where a 90% increase of the mass transport resistance is measured. Energy dispersive X‐ray spectroscopy reveals that no significant migration of cerium into the catalyst layers occurs during degradation. This proves that the PVDF‐HFP backbone provides strong anchoring of CeO2 in the membrane.
Dihedral‐Angle‐Controlled Crossover from Static Hole Delocalization to Dynamic Hopping in Biaryl Cation Radicals
Authors: Talipov Marat R. , Navale Tushar S. , Hossain Mohammad M. , Shukla Ruchi , Ivanov Maxim V. , Rathore Rajendra
Published: November 2016

In cases of coherent charge‐transfer mechanism in biaryl compounds the rates follow a squared cosine trend with varying dihedral angle. Herein we demonstrate using a series of biaryl cation radicals with varying dihedral angles that the hole stabilization shows two different regimes where the mechanism of the hole stabilization switches over from (static) delocalization over both aryl rings to (dynamic) hopping. The experimental data and DFT calculations of biaryls with different dihedral angles unequivocally support that a crossover from delocalization to hopping occurs at a unique dihedral angle where the electronic coupling (Hab) is one half of reorganization (λ), that is, Hab=λ/2. The implication of this finding in non‐coherent charge‐transfer rates is being investigated.
Total Syntheses of Sarcandrolide J and Shizukaol D: Lindenane Sesquiterpenoid [4+2] Dimers
Authors: Yuan Changchun , Du Biao , Deng Heping , Man Yi , Liu Bo
Published: December 2016

The syntheses of members of a family of lindenane sesquiterpenoid [4+2] dimers led to the total syntheses of sarcandrolide J and shizukaol D. Inspired by a modified biosynthetic pathway, a cascade featuring furan formation/alkene isomerization/Diels–Alder cycloaddition was devised to construct the congested polycyclic architecture of the target molecules with the correct stereochemistry. This study presents a pioneering synthetic entry to this family of natural products and paves the way for fully exploring their biological functions.
Fishhook variability and cultural transmission in East Polynesia
Authors: O'CONNOR JOHN T. , WHITE FRANCES J. , HUNT TERRY L.
Published: December 2016

The colonisation of East Polynesia unfolded as a rapid dispersal by culturally related groups on a massive geographical scale. In settling distant oceanic islands, populations developed new technology in response to local environments, but also shared selectively neutral aspects of artefact design. Building on the work of Sinoto and Allen, we examine proximal endpoint line‐attachment‐devices (LADs) in fishhook assemblages from East Polynesia to address issues of interaction and cultural sharing among island communities. We construct relational networks using artefact classes and employ a series of non‐parametric randomisation tests to directly evaluate the influence of geographical distribution on assemblage similarity in a time‐averaged dataset. The results support a model of cultural transmission through social interaction largely irrespective of geographical distance. Our results show the degree of cultural relatedness among various fishhook assemblages, and we consider some implications for human migrations in East Polynesia.
Fragment‐Based Design, Synthesis, and Biological Evaluation of 1‐Substituted‐indole‐2‐carboxylic Acids as Selective Mcl‐1 Inhibitors
Authors: Wang Ziqian , Xu Wenjie , Song Ting , Guo Zongwei , Liu Lu , Fan Yudan , Wang Anhui , Zhang Zhichao
Published: December 2016

Based on a known selective Mcl‐1 inhibitor, 6‐chloro‐3‐(3‐(4‐chloro‐3,5‐dimethylphenoxy)propyl)‐1H‐indole‐2‐carboxylic acid, we applied a fragment‐based approach to obtain new molecules that extended into the p1 pocket of the BH3 groove and then exhibited binding selectivity for the Mcl‐1 over the Bcl‐2 protein. After we deconstructed the 1H‐indole‐2‐carboxylic acid from the parental molecule, a benzenesulfonyl was substituted at the 1‐position to adopt a geometry preferred for accessing the p1 pocket according to the binding mode of the parental molecule identified by X‐ray crystallography. A linear relationship between the free energy of ligand binding (ΔG) and the count of non‐hydrogen heavy atoms (HAC) was maintained during the molecular growing to occupy the p1 pocket. Finally, we not only obtained compound 12 with a 7.5‐fold selectivity to Mcl‐1 (Ki = 0.48 µM by fluorescence polarization) over Bcl‐2 (Ki = 3.6 µM), but also provided evidence that additional occupation of the p1 pocket is more favorable for Mcl‐1 than for Bcl‐2 binding, and contributes more to Mcl‐1 inhibition than occupation of the p2 pocket. Compound 12 exhibited a selective killing ability on Mcl‐1‐dependent cancer cells.
Auditory processing in noise is associated with complex patterns of disrupted functional connectivity in autism spectrum disorder
Authors: Mamashli Fahimeh , Khan Sheraz , Bharadwaj Hari , Michmizos Konstantinos , Ganesan Santosh , Garel Keri‐Lee A. , Ali Hashmi Javeria , Herbert Martha R. , Hämäläinen Matti , Kenet Tal
Published: December 2016

Autism spectrum disorder (ASD) is associated with difficulty in processing speech in a noisy background, but the neural mechanisms that underlie this deficit have not been mapped. To address this question, we used magnetoencephalography to compare the cortical responses between ASD and typically developing (TD) individuals to a passive mismatch paradigm. We repeated the paradigm twice, once in a quiet background, and once in the presence of background noise. We focused on both the evoked mismatch field (MMF) response in temporal and frontal cortical locations, and functional connectivity with spectral specificity between those locations. In the quiet condition, we found common neural sources of the MMF response in both groups, in the right temporal gyrus and inferior frontal gyrus (IFG). In the noise condition, the MMF response in the right IFG was preserved in the TD group, but reduced relative to the quiet condition in ASD group. The MMF response in the right IFG also correlated with severity of ASD. Moreover, in noise, we found significantly reduced normalized coherence (deviant normalized by standard) in ASD relative to TD, in the beta band (14–25 Hz), between left temporal and left inferior frontal sub‐regions. However, unnormalized coherence (coherence during deviant or standard) was significantly increased in ASD relative to TD, in multiple frequency bands. Our findings suggest increased recruitment of neural resources in ASD irrespective of the task difficulty, alongside a reduction in top‐down modulations, usually mediated by the beta band, needed to mitigate the impact of noise on auditory processing. Autism Res 2016,. © 2016 International Society for Autism Research, Wiley Periodicals, Inc. Autism Res 2017, 10: 631–647. © 2016 International Society for Autism Research, Wiley Periodicals, Inc.
An actor‐network theory reading of change for children in public care
Authors: Parker Elisabeth
Published: December 2016

The education of children in public, or Local Authority (LA), care, known in the United Kingdom (UK) as looked‐after children (LAC), is supported by government initiatives to reduce the attainment gap that exists betweenLACand their non‐LACpeers. These children often find remaining in education a challenge, are twice as likely to be permanently excluded, and three times more likely to receive a fixed‐term exclusion than other school‐age children. A high proportion (61%), have been labelled as having special educational needs (SEN) (DfE,). In theUK, the Virtual School (VS) has a statutory role in the education ofLAC(DfE, 2014a) and aims to encourage more stringent monitoring and intervention for pupils. This is partly achieved through the creation of a personalised education plan (PEP) for eachLACpupil, which outlines progress, strategies intended to accelerate attainment, and resources needed for doing so. The process involves the pupil, their social worker and the designated teacher (responsible for the welfare ofLACpupils) of the school attended. The current study uses Actor‐Network Theory (ANT, e.g. Latour,) as a lens through which to conceptualise change forLACpupils during thePEPprocess. The focus is upon threePEPmeetings in oneLAsetting, in order to explore the people and things that are active in driving forwards change forLAC, with a view to examining the efficacy of the process and the roles of those involved. The analysis made visible the importance of the role of the designated teacher in thePEPprocess, in contrast to the relative inactivity of social workers and of pupil voice.
Cyanidin 3‐O‐glucoside Isolated from Lonicera caerulea Fruit Improves Glucose Response in INS‐1 Cells by Improving Insulin Secretion and Signaling
Authors: Lee Dahae , Ham Jungyeob , Kang Ki Sung , Lee Hae‐Jeung
Published: December 2016

Cyaniding 3‐O‐glucoside is a flavonoid compound isolated from the fruits of the Lonicera caerulea. In the present study, we investigated the effects of L. caerulea extract and its active component cyaniding 3‐O‐glucoside on insulin release in INS‐1 cells. L. caerulea extract and cyanidin 3‐O‐glucoside activated the secretion of insulin that lead to diminished glucose production in INS‐1 cells. Cyanidin 3‐O‐glucoside also enhanced the phosphorylation of insulin receptor, insulin receptor substrate 1, and phosphoinositide 3‐kinase protein expressions in INS‐1 cells. These results suggest that cyanidin 3‐O‐glucoside is an active component of L. caerulea that enhances insulin production and activates insulin signaling.
Solid‐phase Synthesis of Folate–Chlorin Conjugates for Selective Photodynamic Therapy and the Effect of Linker Variation
Authors: Lee Seon‐Min , Ahn Young‐Deok , Mun Hyoyoung , Goh Byoungsook , Kim Tae‐Young , Seo Jiwon , Kim Min‐Gon
Published: December 2016

Here, we evaluated the effect of linkers conjugating a chlorin‐based photosensitizer, 2‐[1‐hexyloxyethyl]‐2‐devinyl pyropheophorbide‐a (HPPH), and folic acid to target cancer cells. Folate–HPPH conjugates with peptide, polyethylene glycol (PEG), peptoid, or 7‐aminoheptanoic acid (AHA) linkers were synthesized on a solid‐phase and evaluated for photodynamic therapy (PDT) efficacy. Compared to free HPPH, the folate‐linker‐HPPHs were effectively internalized into tumor cells and exhibited superior PDT effect upon irradiation. Tumor‐targeting PDT efficacy was influenced by linker variation, with in vitro photocytotoxicities of peptide > PEG > AHA > peptoid, paralleling water solubility of the linkers. Thus, linker choice significantly affects targeted PDT efficacy providing useful information for linker design.
Complaint or recommendation? The impact of customers' state and trait goal orientations on customer engagement behaviors
Authors: Chen Xinxin , Yu Hongyan , Gentry James W. , Yu Fang
Published: December 2016

The importance of customer engagement behaviors (CEBs) has been widely acknowledged in marketing. CEB encompasses an interactive relationship with the engaged object. A customer's personality characteristics play an important role in the interactive process. So it is necessary to examine how customer's personality characteristics influence customer engagement behaviors. However, there has been relatively less empirical research examining the impact of a customer's personality characteristics on CEBs. Customer goal orientation (promotion orientation vs. prevention orientation) is one such important personality characteristic. This research examined how customer goal orientation influenced CEBs. We used a priming technique to examine the relationships between the customer's state goal orientation and the customer's recommendations and complaints in study 1. The results showed that customers with state promotion‐focused goal orientations initiated more recommendations than the customers with state prevention‐focused goal orientations. For complaints, the difference between these two groups was not significant. Study 2 investigated the impact of trait goal orientation on the customer's recommendations and complaints. The results showed that the trait promotion‐focused goal orientation customers were more likely to initiate both recommendations and complaints behaviors than the trait prevention‐focused goal orientation customers. The findings of the research demonstrate that customer goal orientation is an important influence on positive and negative CEBs, and state and trait goal orientations have different impacts on CEBs. This research helps companies aiming to improve their customers' CEBs by suggesting which type of customers (in terms of goal orientation) are more likely to engage. Copyright © 2016 John Wiley & Sons, Ltd.
Octyl Co‐grafted PrSO3H/SBA‐15: Tunable Hydrophobic Solid Acid Catalysts for Acetic Acid Esterification
Authors: Manayil Jinesh C. , dos Santos Vannia C. , Jentoft Friederike C. , Granollers Mesa Marta , Lee Adam F. , Wilson Karen
Published: December 2016

Propylsulfonic acid (PrSO3H) derivatised solid acid catalysts have been prepared by post‐modification of mesoporous SBA‐15 silica with mercaptopropyltrimethoxysilane (MPTMS), and the impact of co‐derivatisation with octyltrimethoxysilane (OTMS) groups to impart hydrophobicity to the catalyst was investigated. Turnover frequencies (TOFs) for acetic acid esterification with methanol increase with PrSO3H surface coverage across both families, suggesting a cooperative effect between adjacent acid sites at high acid site densities. Esterification activity is further promoted upon co‐functionalisation with hydrophobic octyl chains, with inverse gas chromatography (IGC) measurements indicating that the increased activity correlates with decreased surface polarity or increased hydrophobicity.
Impact of the Diazonium Grafting Control on the Interfacial Reactivity: Monolayer versus Multilayer
Authors: Menanteau Thibaud , Dabos‐Seignon Sylvie , Levillain Eric , Breton Tony
Published: December 2016

A very simple strategy to prepare, in two steps, a versatile and sustainable monolayer platform for on‐surface chemistry is presented. The first step consists of the electroreduction of well‐known 4‐nitrobenzenediazonium in the presence of a radical scavenger, leading to a covalent monolayer surface modification. Then, a dense reactive phenylamine monolayer is obtained through the full electroreduction of the nitrophenyl moieties. The platform thus obtained is available for post‐functionalization with carboxyl derivatives through a usual peptide coupling. Attachment of a TEMPO unit, offering both redox and electrocatalytic properties, validates this approach and leads to high surface coverage and fast electron transfer. A comparison of the electrochemical properties of the modified surface with a classical multilayered post‐functionalized one highlights important differences in terms of interfacial reactivity. The results presented here justify the interest in preparing a reactive monolayer platform for molecule grafting and paves the way for simple and controlled surface chemistry without the need of synthesis.
Tuning the Reactivity of Graphene by Surface Phase Orientation
Authors: Plšek Jan , Kovaříček Petr , Valeš Václav , Kalbáč Martin
Published: December 2016

Tuning the local reactivity of graphene is a subject of paramount importance. Among the available strategies, the activation/passivation of graphene by copper substrate is very promising because it enables the properties of graphene to be influenced without any transfer procedure, since graphene can be grown directly on copper. Herein, it is demonstrated that the reactivity of graphene towards fluorination is strongly influenced by the face of the surface of the copper substrate. Graphene on the copper foil was probed and grain orientations were identified. The results of the reactivity were evaluated by means of X‐ray photo electron and Raman spectroscopy. Graphene on the grains with a surface orientation close to the (111) face is the most reactive, whereas graphene on the grains close to the (110) surface is least reactive. The long‐term stability test showed that the decomposition of fluorinated graphene was slowest on the grains with a surface orientation close to the (111) face. The results are consistent with the variation of the mechanical strain of graphene on different faces of copper. In contrast, no clear correlation of the graphene reactivity with doping induced by different facets was found.
Optimization of the Alkyl Linker of TO Base Surrogate in Triplex‐Forming PNA for Enhanced Binding to Double‐Stranded RNA
Authors: Sato Takaya , Sato Yusuke , Nishizawa Seiichi
Published: November 2016

A series of triplex‐forming peptide nucleic acid (TFP) probes carrying a thiazole orange (TO) base surrogate through an alkyl linker was synthesized, and the interactions between these so‐called tFIT probes and purine‐rich sequences within double‐stranded RNA (dsRNA) were examined. We found that the TO base surrogate linker significantly affected both the binding affinity and the fluorescence response upon triplex formation with the target dsRNA. Among the probes examined, the TO base surrogate connected through the propyl linker in the tFIT probes increased the binding affinity by a factor of ten while maintaining its function as the fluorescent universal base. Isothermal titration calorimetry experiments revealed that the increased binding affinity resulted from the gain in the binding enthalpy, which could be explained by the enhanced π‐stacking interaction between the TO base surrogate and the dsRNA part of the triplex. We expect that these results will provide a molecular basis for designing strong binding tFIT probes for fluorescence sensing of various kinds of purine‐rich dsRNAs sequences including those carrying a pyrimidine‐purine inversion. The obtained data also offers a new insight into further development of the universal bases incorporated in TFP.
A Cyclic Alkyl(amino)carbene as Two‐Atom π‐Chromophore Leading to the First Phosphorescent Linear CuI Complexes
Authors: Gernert Markus , Müller Ulrich , Haehnel Martin , Pflaum Jens , Steffen Andreas
Published: December 2016

The members of a series of linear and trigonal copper(I) complexes bearing a cyclic alkyl(amino)carbene (CAAC) ligand show surprising photophysical properties compared to those of the corresponding N‐heterocyclic carbene (NHC) complexes. Whereas the linear NHC complexes [CuX(NHC)] are almost non‐emissive, [CuX(CAAC)] (X=Cl, Br, I) and [Cu(CAAC)2]PF6 show very bright emissions from their triplet excited states in the blue to green region, displaying quantum yields of up to 65 % in the solid state, even though the π‐acceptor comprises only the carbene C and N atoms with no other π conjugation. [Cu(CAAC)2]PF6 is the fastest CuI‐based triplet state emitter characterized to date, not displaying thermally activated delayed fluorescence (TADF), with an intrinsic lifetime of only 10.6 μs, that is, kr=9.4×104 s−1, competitive with many PtII‐ and IrIII‐based emitters. In order to test the stability of such linear copper CAAC complexes in devices, some of our compounds have been applied in proof‐of‐principle organic light‐emitting diodes (OLEDs). This case study thus demonstrates for the first time the use of CAACs as suitable π‐chromophores for CuI‐based phosphorescent emitters, and their implementation in OLEDs underlines the general applicability of this class of ligands in materials science.
Asymmetric Synthesis by Using Natural Sunlight under Absolute Achiral Conditions
Authors: Sakamoto Masami , Shiratsuki Koh , Uemura Naohiro , Ishikawa Hiroki , Yoshida Yasushi , Kasashima Yoshio , Mino Takashi
Published: December 2016

Irradiation of prochiral (E)‐aroylacrylamide with sunlight gave single‐handed pyrrolinone quantitatively and with an enantiomeric excess (ee) of over 99 % under absolutely achiral conditions. The phenomenon was explained by photoisomerization and reversible cyclization followed by dynamic crystallization involving deracemization.
Hydroxytyrosol Recovery From Olive Mill Wastewater: Process Optimization and Development of a Pilot Plant
Authors: Fava Giovanni , Di Mauro Maria Domenica , Spampinato Marcella , Biondi Daniela , Gambera Giovanni , Centonze Giovanni , Maggiore Riccardo , D'Antona Nicola
Published: November 2016

The olive oil industry is a sector of high relevance in the economy of the European Union; indeed, three quarters of the world production is concentrated in the South Europe. Unfortunately, the commonly used milling techniques generate huge amounts of highly polluting olive mill wastewater (OMWW) as a side‐product. If released in the environment, untreated OMWW have a detrimental impact on land and water because of the large amount of phytotoxic phenolic compounds contained. At the same time, due to their powerful antiradical properties, polyphenols represent the center of a very valuable market niche, where they find application in cosmetic and nutraceutic fields. Consequently, the mandatory (for evident environmental reasons) depollution of OMWW associated with an efficient and selective recovery of the phenolic fraction could be economically very advantageous. In the present study, a new methodology employing activated charcoal as the adsorbent phase was developed in order to depollute OMWW and simultaneously recover a fraction enriched in hydroxytyrosol, the most abundant and valuable phenolic compound present in this matrix. Moreover, to evaluate the technical and economic feasibility of the process at a pre‐industrial level, this strategy was submitted to a scale‐up process and a pilot plant prototype was developed.
A prospective cohort study of patients with peripheral T‐cell lymphoma in the United States
Authors: Carson Kenneth R. , Horwitz Steven M. , Pinter‐Brown Lauren C. , Rosen Steven T. , Pro Barbara , Hsi Eric D. , Federico Massimo , Gisselbrecht Christian , Schwartz Marc , Bellm Lisa A. , Acosta Mark A. , Shustov Andrei R. , Advani Ranjana H. , Feldman Tatyana A. , Lechowicz Mary Jo , Smith Sonali M. , Lansigan Frederick , Tulpule Anil , Craig Michael D. , Greer John P. , Kahl Brad S. , Leach Joseph W. , Morganstein Neil , Casulo Carla , Park Steven I. , Foss Francine M.
Published: December 2016

BACKGROUND

Long‐term survival in patients with aggressive peripheral T‐cell lymphoma (PTCL) is generally poor, and there currently is no clear consensus regarding the initial therapy used for these diseases. Herein, the authors analyzed treatment patterns and outcomes in a prospectively collected cohort of patients with a new diagnosis of nodal PTCL in the United States.

METHODS

Comprehensive Oncology Measures for Peripheral T‐cell Lymphoma Treatment (COMPLETE) is a prospective multicenter cohort study designed to identify the most common prevailing treatment patterns used for patients newly diagnosed with PTCL in the United States. Patients with nodal PTCL and completed records regarding baseline characteristics and initial therapy were included in this analysis. All statistical tests were 2‐sided.

RESULTS

Of a total of 499 patients enrolled, 256 (51.3%) had nodal PTCL and completed treatment records. As initial therapy, patients received doxorubicin‐containing regimens (41.8%), regimens containing doxorubicin plus etoposide (20.9%), other etoposide regimens (15.8%), other single‐agent or combination regimens (19.2%), and gemcitabine‐containing regimens (2.1%). Survival was found to be statistically significantly longer for patients who received doxorubicin (log‐rank P = .03). After controlling for disease histology and International Prognostic Index, results demonstrated a trend toward significance in mortality reduction in patients who received doxorubicin compared with those who did not (hazard ratio, 0.71; 95% confidence interval, 0.48‐1.05 [P = .09]).

CONCLUSIONS

To the authors' knowledge, there is no clear standard of care in the treatment of patients with PTCL in the United States. Although efforts to improve frontline treatments are necessary, anthracyclines remain an important component of initial therapy for curative intent. Cancer 2017;123:1174–1183. © 2016 American Cancer Society.
FCMS: A fuzzy controller for CPU and memory consolidation under SLA constraints
Authors: Anglano Cosimo , Canonico Massimo , Guazzone Marco
Published: December 2016

Cloud providers (CPs) rely on server consolidation (the allocation of several virtual machines [VMs] on the same physical server) to minimize their costs. Maximizing the consolidation level is thus become 1 of the major goals of cloud providers. This is a challenging task because it requires the ability of estimating, in a resource contention scenario, multidimensional resource demands for multitier cloud applications that must meet service‐level agreements (SLAs) in face of nonstationary workloads. In this paper, we cope with the problem of jointly allocating CPU and memory capacity to (a) precisely estimate their capacity required by each VM to meet its SLAs and (b) coordinate their allocation to limit the negative effects due to the interactions of dynamic allocation mechanisms, which, if ignored, can lead to SLA violations. We tackle this problem by devising FCMS, a feedback fuzzy controller that is able to dynamically adjust the CPU and memory capacity allocated to each VM in a coordinated way, to precisely match the needs induced by the incoming workload. By means of an extensive experimental evaluation, we show that FCMS is able to achieve the above goals and works better than existing state‐of‐the‐art alternative solution in all the considered experimental scenarios.
Monitoring the Reaction Mechanism in Model Biogas Reforming by In Situ Transient and Steady‐State DRIFTS Measurements
Authors: Bobadilla Luis F. , Garcilaso Victoria , Centeno Miguel A. , Odriozola José A.
Published: December 2016

In this work, the reforming of model biogas was investigated on a Rh/MgAl2O4 catalyst. In situ transient and steady‐state diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) measurements were used to gain insight into the reaction mechanism involved in the activation of CH4 and CO2. It was found that the reaction proceeds through of an initial pathway in which methane and CO2 are both dissociated on Rh metallic sites and additionally a bifunctional mechanism in which methane is activated on Rh sites and CO2 is activated on the basic sites of the support surface via a formate intermediate by H‐assisted CO2 decomposition. Moreover, this plausible mechanism is able to explain why the observed apparent activation energy of CO2 is much lower than that of CH4. Our results suggest that CO2 dissociation facilitates CH4 activation, because the oxygen‐adsorbed species formed in the decomposition of CO2 are capable of reacting with the CHx species derived from methane decomposition.
Selective inactivation of enzymes conjugated to nanoparticles using tuned laser illumination
Authors: Ilovitsh Asaf , Polak Pazit , Zalevsky Zeev , Shefi Orit
Published: December 2016

We report a novel method for specific deactivation of conjugated enzymes using laser‐heated gold nanoparticles. Current methods involve treatment of the entire solution, thereby inactivating all bioactive components. Our method enables inactivation of only a single or subset of targeted enzymes. The selected enzyme is pre‐conjugated to gold nanoparticles, which are specifically heated by a laser tuned to their surface plasmon resonance. We demonstrate inactivation of a selected enzyme, glucose oxidase, within a mixture of biomolecules. Illumination of non‐conjugated enzymes and nanoparticles demonstrated specificity. We propose a novel method to quantitatively regulate enzyme activity, providing a building block for cellular and cell‐free biochemical reactions. © 2016 International Society for Advancement of Cytometry
Mainstreaming Payments for Ecosystem Services in the Global Water Discourse
Authors: Henkel Marianne
Published: December 2016

In recent years, awareness of ecosystem ‘services’ to human society has increased significantly. With it, economic tools for their conservation have gained attention in international environmental governance discourses, including in the global water discourse. The present paper uses a discourse analytical approach to trace how payments for ecosystem services are increasingly mainstreamed into the discourse on integrated water resource management (IWRM). Notably, international organizations with an environmental or conservation mandate draw on the environmental principle of the IWRM paradigm to raise concern for water‐related ecosystem services, and on the notion of water as an economic good to suggest payments for their conservation. While some actors and practices of the IWRM discourse have endorsed the extended storyline, it has been received reluctantly by most of the central actors in the global water platform. The Green Economy discourse spurred by the Rio + 20 conference has given the mainstreaming process a new dynamic. Copyright © 2016 John Wiley & Sons, Ltd and ERP Environment
Numerical analysis of conservative unstructured discretisations for low Mach flows
Authors: Ventosa‐Molina J. , Chiva J. , Lehmkuhl O. , Muela J. , Pérez‐Segarra C. D. , Oliva A.
Published: December 2016

Unstructured meshes allow easily representing complex geometries and to refine in regions of interest without adding control volumes in unnecessary regions. However, numerical schemes used on unstructured grids have to be properly defined in order to minimise numerical errors. An assessment of a low Mach algorithm for laminar and turbulent flows on unstructured meshes using collocated and staggered formulations is presented. For staggered formulations using cell‐centred velocity reconstructions, the standard first‐order method is shown to be inaccurate in low Mach flows on unstructured grids. A recently proposed least squares procedure for incompressible flows is extended to the low Mach regime and shown to significantly improve the behaviour of the algorithm. Regarding collocated discretisations, the odd–even pressure decoupling is handled through a kinetic energy conserving flux interpolation scheme. This approach is shown to efficiently handle variable‐density flows. Besides, different face interpolations schemes for unstructured meshes are analysed. A kinetic energy‐preserving scheme is applied to the momentum equations, namely, the symmetry‐preserving scheme. Furthermore, a new approach to define the far‐neighbouring nodes of the quadratic upstream interpolation for convective kinematics scheme is presented and analysed. The method is suitable for both structured and unstructured grids, either uniform or not. The proposed algorithm and the spatial schemes are assessed against a function reconstruction, a differentially heated cavity and a turbulent self‐igniting diffusion flame. It is shown that the proposed algorithm accurately represents unsteady variable‐density flows. Furthermore, the quadratic upstream interpolation for convective kinematics scheme shows close to second‐order behaviour on unstructured meshes, and the symmetry‐preserving is reliably used in all computations. Copyright © 2016 John Wiley & Sons, Ltd.
The impact and measurement of social dysfunction in late‐life depression: an evaluation of current methods with a focus on wearable technology
Authors: Hodgetts Sophie , Gallagher Peter , Stow Daniel , Ferrier I. Nicol , O'Brien John T.
Published: December 2016

Objective

Depression is known to negatively impact social functioning, with patients commonly reporting difficulties maintaining social relationships. Moreover, a large body of evidence suggests poor social functioning is not only present in depression but that social functioning is an important factor in illness course and outcome. In addition, good social relationships can play a protective role against the onset of depressive symptoms, particularly in late‐life depression. However, the majority of research in this area has employed self‐report measures of social function. This approach is problematic, as due to their reliance on memory, such measures are prone to error from the neurocognitive impairments of depression, as well as mood‐congruent biases.

Method

Narrative review based on searches of the Web of Science and PubMed database(s) from the start of the databases, until the end of 2015.

Results

The present review provides an overview of the literature on social functioning in (late‐life) depression and discusses the potential for new technologies to improve the measurement of social function in depressed older adults. In particular, the use of wearable technology to collect direct, objective measures of social activity, such as physical activity and speech, is considered.

Conclusion

In order to develop a greater understanding of social functioning in late‐life depression, future research should include the development and validation of more direct, objective measures in conjunction with subjective self‐report measures. Copyright © 2016 John Wiley & Sons, Ltd.
Bacterial and mammalian cells adhesion to tantalum‐decorated micro‐/nano‐structured titanium
Authors: Zhu Yu , Gu Yingxin , Qiao Shichong , Zhou Linyi , Shi Junyu , Lai Hongchang
Published: December 2016

Microorganisms are frequently introduced to dental implants during surgery and start the race for the surface with host cells before osseointegration occurs. The aim of the study was to endow implant surfaces with biological functions that reliably select cells over microbes. Nano‐structured tantalum (Ta) has exhibited excellent compatibility. Thus, nano‐structured Ta films were deposited on the sand‐blasted, large grit, and acid‐etched (SLA) titanium by the magnetron sputtering method, thus forming hierarchical micro‐/nano‐structured surfaces. No obvious Ta release confirmed the robustness of the deposited layer probably arising from the stable Ta2O5. Moreover, Ta‐modified surfaces not only improved the initial adhesion and spreading of rat bone mesenchymal stem cells (rBMSCs), but also exhibited good antibacterial activities towards Streptococcus mutans and Porphyromonas gingivalis. The satisfactory cell‐surface interactions on Ta‐modified surfaces depended largely on the up‐regulation of adhesion‐related genes and activation of focal adhesion kinase (FAK), as confirmed by real‐time PCR and Western blot. Here, the coculture model was also forwarded to mimic the perioperative bacterial contamination. We found that the adherent cell number and the cell‐surface coverage were hampered by bacteria presence on both surfaces. Yet, rBMSCs still attached and spread more readily on Ta‐modified surfaces than on SLA titanium surfaces even in coculture with adhering oral pathogens. Our results revealed that Ta‐modified micro‐/nano‐structured surfaces would selectively promote cell‐surface rather than bacteria‐surface interactions, boding well for the applications for dental implants in possibly infected environments. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 105A: 871–878, 2017.
Electronic absorption spectra of pyridine and nicotine in aqueous solution with a combined molecular dynamics and polarizable QM/MM approach
Authors: Pagliai Marco , Mancini Giordano , Carnimeo Ivan , De Mitri Nicola , Barone Vincenzo
Published: December 2016

The electronic absorption spectra of pyridine and nicotine in aqueous solution have been computed using a multistep approach. The computational protocol consists in studying the solute solvation with accurate molecular dynamics simulations, characterizing the hydrogen bond interactions, and calculating electronic transitions for a series of configurations extracted from the molecular dynamics trajectories with a polarizable QM/MM scheme based on the fluctuating charge model. Molecular dynamics simulations and electronic transition calculations have been performed on both pyridine and nicotine. Furthermore, the contributions of solute vibrational effect on electronic absorption spectra have been taken into account in the so called vertical gradient approximation. © 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc.
Temporal kinetics of CD8+CD28+ and CD8+CD28− T lymphocytes in the injured rat spinal cord
Authors: Wu Yan , Lin Yu‐Hong , Shi Ling‐Ling , Yao Zong‐Feng , Xie Xiu‐Mei , Jiang Zheng‐Song , Tang Jie , Hu Jian‐Guo , Lü He‐Zuo
Published: November 2016

This study aims to explore the temporal changes of cytotoxic CD8+CD28+ and regulatory CD8+ CD28− T‐cell subsets in the lesion microenvironment after spinal cord injury (SCI) in rats, by combination of immunohistochemistry (IHC) and flow cytometry (FCM). In the sham‐opened spinal cord, few CD8+ T cells were found. After SCI, the CD8+ T cells were detected at one day post‐injury (dpi), then markedly increased and were significantly higher at 3, 7, and 14 dpi compared with one dpi (p < 0.01), the highest being seven dpi. In CD8+ T cells, more than 90% were CD28+, and there were only small part of CD28− ( < 10%). After 14 days, the infiltrated CD8+ T cells were significantly decreased, and few could be found in good condition at 21 and 28 dpi. Annexin V and propidium iodide (PI) staining showed that the percentages of apoptotic/necrotic CD8+ cells at 14 dpi and 21 dpi were significantly higher than those of the other early time‐points (p < 0.01). These results indicate that CD8+ T cells could rapidly infiltrate into the injured spinal cords and survive two weeks, however, cytotoxic CD8+ T cells were dominant. Therefore, two weeks after injury might be the “time window” for treating SCI by prolonging survival times and increasing the fraction of CD8+ regulatory T‐cells. © 2016 Wiley Periodicals, Inc.
Can the crowdsourcing data paradigm take atmospheric science to a new level? A case study of the urban heat island of London quantified using Netatmo weather stations
Authors: Chapman Lee , Bell Cassandra , Bell Simon
Published: December 2016

Crowdsourcing techniques are frequently used across science to supplement traditional means of data collection. Although atmospheric science has so far been slow to harness the technology, developments have now reached the point where the benefits of the approaches simply cannot be ignored: crowdsourcing has potentially far‐reaching consequences for the way in which measurements are collected and used in the discipline. To illustrate this point, this paper uses air temperature data from the prolific, low‐cost, Netatmo weather station to quantify the urban heat island of London over the summer of 2015. The results are broadly comparable with previous studies, and indeed standard observations (albeit with a warm bias, a likely consequence of non‐standard site exposure), showing a range of magnitudes of between 1 and 6 °C across the city depending on atmospheric stability. However, not all the results can be easily explained by physical processes and therefore highlight quality issues with crowdsourced data that need to be resolved. This paper aims to kickstart a step‐change in the use of crowdsourcing in urban meteorology by encouraging atmospheric scientists to more positively engage with the new generation of manufacturers producing mass market sensors.