bluuebunny/crossref_metadata_2025 huggingface dataset:
Experimental Observation of the Nature of Weak Chemical Bonds in Labile Compounds
Authors: Hashizume Daisuke
Published: February 2017

Accurate single‐crystal X‐ray diffraction data afford a total electron density distribution for crystalline materials by employing an aspherical atomic model with comparable accuracy to that of theoretical calculations. Chemical bonds and intermolecular interactions in the crystalline state are characterized based on the electron density distribution of valence electrons, as well as structural parameters. Herein, the bonding nature of weak chemical bonds in labile compounds, such as hypervalent bonds and delocalized π‐bonds, is explored on the basis of electronic structures derived from experimental electron density distribution analyses. In addition, the visualization of a radicalic orbital distribution on an sp2‐hydridized carbon atom is demonstrated.
Interfacial Engineering of Van der Waals Coupled 2D Layered Materials
Authors: Hong Hao , Liu Can , Cao Ting , Jin Chenhao , Wang Shaoxin , Wang Feng , Liu Kaihui
Published: February 2017

Engineering the properties of materials is of central importance in modern science and technology. In conventional bulk materials, the property changes are realized mainly through modifying the chemical bonds and crystalline structures, or introducing dopant atoms. Recent studies in van der Waals coupled 2D layered materials have demonstrated a different way of materials engineering through modifying interlayer interactions at the material interfaces, because the interlayer interactions in these materials can be easily controlled by changing interlayer stacking configurations and/or applying external fields. In this review, recent progresses in exploring the effects of van der Waals interlayer interactions on graphene, including the discovery of van Hove singularities, Fermi velocity renormalization, and Hofstadter's butterfly pattern, are discussed. Interlayer interactions at other 2D layered material interfaces, such as transition metal dichalcogenides and black phosphorus, are also discussed. Finally, the prospects of using the van der Waals coupled 2D layered materials for next‐generation electronics and optoelectronics are presented.
Noble‐Metal‐Free Metallic Glass as a Highly Active and Stable Bifunctional Electrocatalyst for Water Splitting
Authors: Tan Yongwen , Zhu Fan , Wang Hao , Tian Yuan , Hirata Akihiko , Fujita Takeshi , Chen Mingwei
Published: February 2017

Many transition metals and alloys are expected to have high catalytic activities because of incompletely filled d orbitals for readily giving and taking electrons. However, the poor corrosion resistance, originating from high chemical activity, limits their applications as electrocatalysts for reactions in acidic and alkaline electrolytes. In this study, it is found that homogeneous amorphous structure can effectively decouple the intertangling catalytic activities and electrochemical stability of transition metal alloys. A noble‐metal‐free Ni40Fe40P20 metallic glass shows superior catalytic activities and high corrosion resistance, in comparison with the crystallized counterpart and other nanostructured noble‐metal‐based catalysts, for electrochemical water splitting in both acidic and alkaline solutions.
Effects of Pore Size and Tethering on the Diffusivity of Lipids Confined in Mesoporous Silica
Authors: Schlipf Daniel M. , Zhou Shanshan , Khan M. Arif , Rankin Stephen E. , Knutson Barbara L.
Published: February 2017

Incorporation of lipid assemblies on the surface and within pores of mesoporous silica particles provides for biomimetic approaches to analyte sensing and separations using high surface area platforms. This work investigates the effect of pore confinement on the location and the diffusivity of lipid assemblies in mesoporous silica spherical particles (SBAS) as a function of nanopore diameters (nonporous, 3.0, 5.4, and 9.1 nm), which span the range of the thickness of the 1,2‐dipalmitoyl‐sn‐glycero‐3‐phosphocholine lipid bilayer (≈4 nm). Large‐diameter SBAS are imaged with sufficient spatial resolution to distinguish lipids at the exterior surface and in the center of the particles. Lipids incorporated on the silica by evaporation deposition exist as exterior lipid bilayers on all particles and lipid assemblies in the pores of 5.4 and 9.1 nm pore diameter materials. Lipid diffusivity increases with pore size and decreases in the presence of bilayer tethering functional groups. Lipid diffusivity in the core of the particles is similar to the surface diffusivity, consistent with long‐range mobility in accessible, ordered (but randomly oriented) mesopores of SBAS materials. This work presents a framework for interpreting high density loading of lipid bilayers and their function within mesoporous materials.
Asymmetric Dearomatizative Diels–Alder Reaction for the Construction of Hydrodibenzo[b,d]furan Frameworks with Tetrasubstituted Stereogenic Centers
Authors: Xiao Ben‐Xian , Du Wei , Chen Ying‐Chun
Published: February 2017

Constructing fused hydrodibenzofuran architectures bearing a tetrasubstituted stereogenic center adjacent to an O atom is extremely difficult. Here we have developed an asymmetric dearomatizative Diels–Alder reaction using novel 2‐(3‐vinylbenzofuran‐2‐yl)ethan‐1‐one substrates and 3‐olefinic 7‐azaoxindoles. The reaction proceeds via in situ generation of a HOMO‐raised formal trienamine species with a chiral primary amine catalyst, producing highly complex tetrahydrodibenzo[b,d]furan derivatives with vicinal tetrasubstituted stereogenic centers in moderate yields with excellent stereoselectivity (dr>19:1, up to 98% ee).

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Rhodium(III)‐Catalyzed Controllable C−H Bond Functionalization of Benzamides and Vinylidenecyclopropanes: A Directing Group Determined Reaction Pathway
Authors: Ji Cheng , Xu Qin , Shi Min
Published: February 2017

A controllable rhodium(III)‐catalyzed C−H bond activation of benzamides and vinylidenecyclopropanes (VDCPs) by changing the directing group from C(O)NH–OPiv to C(O)NH–OBoc has been disclosed, affording two different major products in good yields under mild condition, respectively. The substrate scope has been investigated and a plausible reaction mechanism has been also proposed on the basis of previous literature.

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Recent Breakthroughs in Supercapacitors Boosted by Nitrogen‐Rich Porous Carbon Materials
Authors: Yang Mei , Zhou Zhen
Published: February 2017

Featured with unique mechanical, electronic and chemical properties, nitrogen‐doped carbon materials have become the research hotspot of energy storage. As electrode materials in supercapacitors (SCs), N‐doped carbons have demonstrated intriguing flexibility and superb performances in a wide electrochemical window, equipped with versatile properties as both cathodes and anodes for constructing high voltage devices. Compared with limited doping level, N‐rich and porous carbon materials (NPCs) are of great desire to release the restricted properties of N species and obtain high specific capacitances (>600 F g−1), pushing the energy density towards the battery level without scarifying the capacitor‐level power ability. In this Research News we firstly discuss the key factors influencing the performance of NPC electrodes to disclose related charge storage mechanisms. In addition, the trade‐off among N‐content, porous structure and electrical conductivity is involved as well as electrochemical behaviors in different electrolytes. Also, various progressive developments are highlighted systematically ranging from asymmetric to symmetric and hybrid configurations, covering both aqueous and non‐aqueous systems. Finally, some stubborn and unsolved problems are summarized, with prospective research guidelines on NPC‐based SCs.
First‐Principles Modeling of Point Defects and Complexes in Thin‐Film Solar‐Cell Absorber CuInSe2
Authors: Malitckaya Maria , Komsa Hannu‐Pekka , Havu Ville , Puska Martti J.
Published: February 2017

Point defects and complexes may affect significantly physical, optical, and electrical properties of semiconductors. The Cu(In,Ga)Se2 alloy is an absorber material for low‐cost thin‐film solar cells. Several recently published computational investigations show contradicting results for important point defects such as copper antisite substituting indium (CuIn), indium vacancy (VIn), and complexes of point defects in CuInSe2. In the present work effects of the most important computational parameters are studied especially on the formation energies of point defects. Moreover, related to defect identification by the help of their calculated properties possible explanations are discussed for the three acceptors, occuring in photoluminescence measurements of Cu‐rich samples. Finally, new insight into comparison between theoretical and experimental results is presented in the case of varying chemical potentials and of formation of secondary phases.
Flexible Thermoelectric ZnO–Organic Superlattices on Cotton Textile Substrates by ALD/MLD
Authors: Karttunen Antti J. , Sarnes Liisa , Townsend Riikka , Mikkonen Jussi , Karppinen Maarit
Published: February 2017

The thermoelectric properties of both pristine ZnO and ZnO–organic superlattice thin films deposited on a cotton textile are investigated. The thin films are fabricated by atomic layer deposition/molecular layer deposition, using hydroquinone as the organic precursor for the superlattices. The resulting thin‐film coatings are crystalline, in particular when deposited on a textile substrate with a thin predeposited Al2O3 seed layer. The thermoelectric properties of the ZnO and ZnO–organic superlattice coatings are comparable to those for thin films deposited on conventional inorganic substrates; Al doping can be employed to further improve the thermoelectric properties. The ZnO–organic superlattice thin films moreover show enhanced resistance to mechanical strain. Due to the higher flexibility and lower thermal conductivity in comparison to pristine ZnO thin films, the ZnO–organic superlattice thin films are a possible material platform for flexible thermoelectrics that can be integrated in textiles and applied in wearable electronics.
The kinetics of polyurethane structural foam formation: Foaming and polymerization
Authors: Rao Rekha R. , Mondy Lisa A. , Long Kevin N. , Celina Mathew C. , Wyatt Nicholas , Roberts Christine C. , Soehnel Melissa M. , Brunini Victor E.
Published: February 2017

Kinetic models have been developed to understand the manufacturing of polymeric foams, which evolve from low viscosity Newtonian liquids, to bubbly liquids, finally producing solid foam. Closed‐form kinetics are formulated and parameterized for PMDI‐10, a fast curing polyurethane, including polymerization and foaming. PMDI‐10 is chemically blown, where water and isocyanate react to form carbon dioxide. The isocyanate reacts with polyol in a competing reaction, producing polymer. Our approach is unique, although it builds on our previous work and the polymerization literature. This kinetic model follows a simplified mathematical formalism that decouples foaming and curing, including an evolving glass transition temperature to represent vitrification. This approach is based on IR, DSC, and volume evolution data, where we observed that the isocyanate is always in excess and does not affect the kinetics. The kinetics are suitable for implementation into a computational fluid dynamics framework, which will be explored in subsequent articles. © 2017 American Institute of Chemical Engineers AIChE J, 63: 2945–2957, 2017
The kinetic modeling of carbonate formation during kraft pulping of eucalyptus wood
Authors: Li Jing , Hu Huichao , Chai Xinsheng
Published: February 2017

This article conducted an investigation on the carbonate formation during kraft pulping (KP) process of eucalyptus under different conditions, from which a kinetic model for predicting the carbonate formation was proposed. It was also found that the time‐dependent effective alkali concentration and H factor are the major parameters affecting the carbonate formation. Results showed that the proposed model could describe the carbonate formation during KP at various process conditions, and there is a good correlation (R2 = 0.923) between the measured and predicted data. According to the model, about 54% of total carbonate formation was contributed from lignin in wood. © 2016 American Institute of Chemical Engineers AIChE J, 63: 1489–1493, 2017
Subadult sex estimation from diaphyseal dimensions
Authors: Stull Kyra E. , L'Abbé Ericka N. , Ousley Stephen D.
Published: February 2017

Objectives

Many studies on subadult sex estimation focus on elements that express sexually dimorphic features in adults. In contrast, diaphyseal dimensions have been shown to display sex‐specific differences prior to adolescence. The current study evaluates the use of diaphyseal dimensions in subadult sex estimation.

Materials and Methods

Eighteen postcranial measurements from six long bones were collected on Lodox Statscan radiographic images of 1,310 modern South African children between birth and 12 years of age. Linear (LDA) and flexible discriminant analysis (FDA) and logistic regression were employed with single and multiple variable models with age both included and excluded from the model. Bootstrapped cross‐validation was employed because some of the multiple variable subsets had small sample sizes. Each of the bootstrapped accuracies has an associated 95% confidence interval demonstrating the ranges in classification.

Results

Classification methods utilizing multiple variables achieved the highest bootstrapped classification accuracies (70% to 93%). The inclusion of age in the models did not consistently increase or decrease the classification accuracies. Proximal and distal breadth measurements were consistently recognized as important measurements in model creation. FDA yielded the highest overall accuracies, but the logistic regression presented with overall smaller bootstrapped 95% confidence intervals.

Discussion

Quantifiable sex differences were discovered in the appendicular skeleton of children between birth and 12 years of age. The high classification accuracies were likely due to using numerous predictor variables from multiple skeletal elements, which were optimized for classification using FDA. To facilitate application, a graphical user interface, KidStats, was developed.
In Vivo Gold Complex Catalysis within Live Mice
Authors: Tsubokura Kazuki , Vong Kenward K. H. , Pradipta Ambara R. , Ogura Akihiro , Urano Sayaka , Tahara Tsuyoshi , Nozaki Satoshi , Onoe Hirotaka , Nakao Yoichi , Sibgatullina Regina , Kurbangalieva Almira , Watanabe Yasuyoshi , Tanaka Katsunori
Published: February 2017

Metal complex catalysis within biological systems is largely limited to cell and bacterial systems. In this work, a glycoalbumin–AuIII complex was designed and developed that enables organ‐specific, localized propargyl ester amidation with nearby proteins within live mice. The targeted reactivity can be imaged through the use of Cy7.5‐ and TAMRA‐linked propargyl ester based fluorescent probes. This targeting system could enable the exploitation of other metal catalysis strategies for biomedical and clinical applications.
Cation‐Selective Channel Regulated by Anions According to Their Hofmeister Ranking
Authors: Gurnev Philip A. , Roark Torri C. , Petrache Horia I. , Sodt Alexander J. , Bezrukov Sergey M.
Published: February 2017

Specificity of small ions, the Hofmeister ranking, is long‐known and has many applications including medicine. Yet it evades consistent theoretical description. Here we study the effect of Hofmeister anions on gramicidin A channels in lipid membranes. Counterintuitively, we find that conductance of this perfectly cation‐selective channel increases about two‐fold in the H2PO4−<Cl−≈Br−≈NO3−<ClO4−<SCN− series. Channel dissociation kinetics show even stronger dependence, with the dwell time increasing about 20‐fold. While the conductance can be quantitatively explained by the changes in membrane surface potential due to exclusion of kosmotropes from (or accumulation of chaotropes at) the surface, the kinetics proved to be more difficult to treat. We estimate the effects of changes in the energetics at the bilayer surfaces on the channel dwell time, concluding that the change would have to be greater than typically observed for the Hofmeister effect outside the context of the lipid bilayer.
Mechanical Trap Surface‐Enhanced Raman Spectroscopy for Three‐Dimensional Surface Molecular Imaging of Single Live Cells
Authors: Jin Qianru , Li Ming , Polat Beril , Paidi Santosh K. , Dai Aimee , Zhang Amy , Pagaduan Jayson V. , Barman Ishan , Gracias David H.
Published: February 2017

Reported is a new shell‐based spectroscopic platform, named mechanical trap surface‐enhanced Raman spectroscopy (MTSERS), for simultaneous capture, profiling, and 3D microscopic mapping of the intrinsic molecular signatures on the membrane of single live cells. By leveraging the functionalization of the inner surfaces of the MTs with plasmonic gold nanostars, and conformal contact of the cell membrane, MTSERS permits excellent signal enhancement, reliably detects molecular signatures, and allows non‐perturbative, multiplex 3D surface imaging of analytes, such as lipids and proteins on the surface of single cells. The demonstrated ability underscores the potential of MTSERS to perform 3D spectroscopic microimaging and to furnish biologically interpretable, quantitative, and dynamic molecular maps in live cell populations.
Incidental capture of leatherback sea turtles in fixed fishing gear off Atlantic Canada
Authors: Hamelin Kayla M. , James Michael C. , Ledwell Wayne , Huntington Julie , Martin Kathleen
Published: February 2017

Incidental capture in commercial fishing gear is a threat to many populations of marine megafauna, including sea turtles. While research has largely focused on pelagic longline impacts on sea turtles, fixed‐gear fisheries are a significant, historically understudied source of injury and mortality.

The present study assesses the interaction of endangered leatherback sea turtles (Dermochelys coriacea) with fixed‐gear fisheries in high‐latitude seasonal foraging habitat where sub‐adult and adult turtles aggregate.

Records of leatherback‐fishery interactions (n = 205) were compiled from databases of publicly‐reported sea turtle sightings in Atlantic Canada (1998–2014) to identify the spatio‐temporal distribution of these events; to identify corresponding fisheries and gear types; and to describe the mechanics and outcomes of entanglements in fixed gear.

Most reports came from coastal Nova Scotia (n = 136) and Newfoundland (n = 40), with reporting rates peaking in the mid‐to‐late 2000s. The majority of entanglements were reported during the summer months of July and August when leatherbacks are seasonally resident and several fisheries are active in continental shelf waters.

Entanglements were most commonly reported in pot gear (e.g.snow crab, lobster, whelk) and trap nets (e.g.mackerel), reflecting extensive use of polypropylene lines distributed in the upper water column where leatherback foraging activity is concentrated.

Given reporting biases and uncertainty regarding post‐release survivorship, entanglement mortalities should be considered a gross underestimate of true mortality rates.

This study highlights both the importance of looking beyond pelagic longlines to evaluate leatherback interactions with fixed‐gear fisheries in high‐use continental shelf foraging habitat, and of involving the fishing industry in developing mitigation measures to reduce entanglement rates and associated turtle mortality.
Does full protection count for the maintenance of β‐diversity patterns in marine communities? Evidence from Mediterranean fish assemblages
Authors: Appolloni Luca , Bevilacqua Stanislao , Sbrescia Luisa , Sandulli Roberto , Terlizzi Antonio , Russo Giovanni Fulvio
Published: February 2017

Although it is widely recognized that protection may enhance size, abundance, and diversity of fish, its effect on spatial heterogeneity of fish assemblages and species turnover is still poorly understood.

Here the effect of full protection within a Mediterranean marine protected area on β‐diversity patterns of fish assemblages along a depth gradient comparing a no‐take zone with multiple unprotected areas is explored. The no‐take zone showed significantly higher synecological parameters, higher β‐diversity among depths, and lower small‐scale heterogeneity of fish assemblages relative to unprotected areas.

Such patterns might likely depend on the high level of fishing pressure outside the no‐take zone, as also abundance‐biomass curves seemed to indicate. Results suggested that full protection could play a role in maintaining high β‐diversity, thus reducing the fragility of marine communities and ecosystems, and spatial heterogeneity may represent a reliable predictor of how management actions could provide insurance against undesirable phase shifts.
Hamburger Sternwarte plate archives: Historic long‐term variability study of active galaxies based on digitized photographic plates
Authors: Wertz M. , Horns D. , Groote D. , Tuvikene T. , Czesla S. , Schmitt J. H. M. M.
Published: February 2017

Background

At the Hamburger Sternwarte, an effort was started in 2010 with the aim of digitizing its more than 45,000 photographic plates and films stored in its plate archives. At the time of writing, more than 31,000 plates have already been made available on the Internet for researchers, historians, and the interested public.

Materials and Methods

The digitization process and the Internet presentation of the plates and accompanying handwritten material (plate envelopes, logbooks, observer notes) are presented here. To fully exploit the unique photometric and astrometric data, stored on the plates, further processing steps are required including registering the plate to celestial coordinates, masking of the plates, and a calibration of the photoemulsion darkening curve. To demonstrate the correct functioning of these procedures, historical light curves of two bright BL Lac‐type active galactic nuclei are extracted.

Results

The resulting light curve of the blazar 1ES 1215+303 exhibits a large decrease in the magnitude from to in about 300 days, which proves the variability in the optical region. Furthermore, we compare the measured magnitudes for the quasar 3C 273 with contemporaneous measurements and find good agreement.
Parallel experimental design and multivariate analysis provides efficient screening of cell culture media supplements to improve biosimilar product quality
Authors: Brühlmann David , Sokolov Michael , Butté Alessandro , Sauer Markus , Hemberger Jürgen , Souquet Jonathan , Broly Hervé , Jordan Martin
Published: February 2017

Rational and high‐throughput optimization of mammalian cell culture media has a great potential to modulate recombinant protein product quality. We present a process design method based on parallel design‐of‐experiment (DoE) of CHO fed‐batch cultures in 96‐deepwell plates to modulate monoclonal antibody (mAb) glycosylation using medium supplements. To reduce the risk of losing valuable information in an intricate joint screening, 17 compounds were separated into five different groups, considering their mode of biological action. The concentration ranges of the medium supplements were defined according to information encountered in the literature and in‐house experience. The screening experiments produced wide glycosylation pattern ranges. Multivariate analysis including principal component analysis and decision trees was used to select the best performing glycosylation modulators. Subsequent D‐optimal quadratic design with four factors (three promising compounds and temperature shift) in shake tubes confirmed the outcome of the selection process and provided a solid basis for sequential process development at a larger scale. The glycosylation profile with respect to the specifications for biosimilarity was greatly improved in shake tube experiments: 75% of the conditions were equally close or closer to the specifications for biosimilarity than the best 25% in 96‐deepwell plates. Biotechnol. Bioeng. 2017;114: 1448–1458. © 2017 Wiley Periodicals, Inc.
Meta-analysis of the influence of surgical margin and adjuvant radiotherapy on local recurrence after resection of sporadic desmoid-type fibromatosis
Authors: Janssen M L , van Broekhoven D L M , Cates J M M , Bramer W M , Nuyttens J J , Gronchi A , Salas S , Bonvalot S , Grünhagen D J , Verhoef C
Published: February 2017

Background

Extra-abdominal desmoid-type fibromatosis (DF) is a rare, locally aggressive neoplasm that is usually managed conservatively. When treatment is indicated, it typically involves surgical resection, possibly with adjuvant radiotherapy. The indications for postoperative radiotherapy and its effectiveness are unclear. The objective of this study was to estimate the effect of surgical resection margins and adjuvant radiotherapy on rates of recurrence of DF.

Methods

Literature published between 1999 and 2015 was extracted from MEDLINE, Embase, Cochrane Central Registry of Trials, Web of Science and Google Scholar. Recurrence rate was analysed by meta-analysis and compared between subgroups.

Results

Sixteen reports were included, consisting of a total of 1295 patients with DF. In patients treated by surgical resection alone, the risk of local recurrence was almost twofold higher for those with microscopically positive resection margins (risk ratio (RR) 1·78, 95 per cent c.i. 1·40 to 2·26). Adjuvant radiotherapy after surgery with negative margins had no detectable benefit on recurrence. In contrast, after incomplete surgical resection, adjuvant radiotherapy improved recurrence rates both in patients with primary tumours (RR 1·54, 1·05 to 2·27) and in those with recurrent DF (RR 1·60, 1·12 to 2·28).

Conclusion

DF resected with microscopically positive margins has a higher risk of recurrence. Adjuvant radiotherapy appears to reduce the risk of recurrence after incomplete surgical resection, particularly in patients with recurrent tumours.
Immunohistochemical hENT1 expression as a prognostic biomarker in patients with resected pancreatic ductal adenocarcinoma undergoing adjuvant gemcitabine-based chemotherapy
Authors: Bird N T E , Elmasry M , Jones R , Psarelli E , Dodd J , Malik H , Greenhalf W , Kitteringham N , Ghaneh P , Neoptolemos J P , Palmer D
Published: February 2017

Background

Human equilibrative nucleoside transporters (hENTs) are transmembranous proteins that facilitate the uptake of nucleosides and nucleoside analogues, such as gemcitabine, into the cell. The abundance of hENT1 transporters in resected pancreatic ductal adenocarcinoma (PDAC) might make hENT1 a potential biomarker of response to adjuvant chemotherapy. The aim of this study was to see whether hENT1 expression, as determined by immunohistochemistry, was a suitable predictive marker for subsequent treatment with gemcitabine-based adjuvant chemotherapy.

Methods

A systematic review was performed, searching databases from January 1997 to January 2016. Articles pertaining to hENT1 immunohistochemical analysis in resected PDAC specimens from patients who subsequently underwent adjuvant gemcitabine-based chemotherapy were identified. Eligible studies were required to contain survival data, reporting specifically overall survival (OS) and disease-free survival (DFS) with associated hazard ratios (HRs) stratified by hENT1 status.

Results

Of 42 articles reviewed, eight were suitable for review, with seven selected for quantitative meta-analysis. The total number of patients included in the meta-analysis was 770 (405 hENT1-negative, 365 hENT1-positive). Immunohistochemically detected hENT1 expression was significantly associated with both prolonged DFS (HR 0·58, 95 per cent c.i. 0·42 to 0·79) and OS (HR 0·52, 0·38 to 0·72) in patients receiving adjuvant gemcitabine but not those having fluoropyrimidine-based adjuvant therapy.

Conclusion

Expression of hENT1 is a suitable prognostic biomarker in patients undergoing adjuvant gemcitabine-based chemotherapy.
Assessing the Effects of Climate Change Regulations on the Business Community: A System Dynamic Approach
Authors: Tsalis Thomas A. , Nikolaou Ioannis E.
Published: February 2017

Based on the business environmental literature and system dynamics, this paper develops a simulation model for managing the business risks derived from climate change. In particular, the purpose of this paper is to transform the valuable findings from the literature regarding climate change and corporate implications into an effective business management model with a broad applicability, regardless of the size of the business or the sector in which it operates. A methodology consistent with the basic principles of the system dynamic modeling process is developed, and a case study is designed to determine the level of completeness of the simulation model and its ability to address different aspects of business performance. To do so, three different scenarios have been simulated to analyze the reactive, proactive and inactive stance of managers against climate change risks. Copyright © 2017 John Wiley & Sons, Ltd and ERP Environment
“It's just heart breaking”: Doing inclusive political solidarity or ambivalent paternalism through sympathetic discourse within the “refugee crisis” debate
Authors: Nightingale Alastair , Quayle Michael , Muldoon Orla
Published: February 2017

This article explores how people do sympathetic talk in relation to the European “refugee crisis.” The analysis was grounded in critical discursive psychology and also drew on the concept of affective–discursive practice. Data was retrieved from a phone‐in program on Irish national radio over a 6‐month period when the refugee crisis debate was at its height. It is shown that speakers deployed elaborate sympathetic repertoires with ease that described their normative emotional response to the plight of the asylum seekers. But these same speakers found it problematic to present explicit, unambiguous, and unconditional calls of inclusive political solidarity with the asylum seekers, advocating increased asylum provision in Ireland. These findings are discussed in light of the hostile affective–discursive environment towards asylum and the common sense understanding that nation‐states have the moral right to exclude, which appears to constrain the talk to a position of ambivalent paternalism.
Effect of eicosapentaenoic acid on bovine cumulus–oocyte complex in vitro
Authors: Nikoloff Noelia , Pascua Ana M. , Anchordoquy Juan M. , Anchordoquy Juan P. , Sirini Matías A. , Seoane Analia , Furnus Cecilia C.
Published: February 2017

The aim of the present study was to investigate the effects of eicosapentaenoic acid (EPA) supplementation during in vitro maturation (IVM) of bovine oocytes. The concentrations tested in all experiments were 1 nM, 1 μM, and 1 mM EPA. The effect of EPA was evaluated on cumulus‐oocyte complexes (COC) by oocyte maturation (cumulus expansion area and oocyte nuclear maturation), genotoxicity [single cell gel electrophoresis (SCGE)], and cytotoxicity (apoptosis, viability, and MTT assays) end points. The maturation parameters were affected by exposure of COC to different EPA concentrations in the IVM medium. Cumulus expansion area increased in the presence of 1 nM EPA (P < 0.05) whereas addition of 1 nM EPA (P < 0.05) decreased cumulus expansion after 24 h of IVM. Moreover, the maturation rate significantly decreased when 1 mM of EPA was assayed (P < 0.001). EPA at 1 nM induced genotoxic and cytotoxic effects on bovine cumulus cells (CC) and primary DNA lesions (P < 0.001). A significant increase in the frequency of apoptotic (P < 0.01) and necrotic (P < 0.001) cells was observed after 24 h of treatment with 1 nM, 1 μM, and 1 mM EPA. Mitochondrial activity was altered with 1 mM EPA (P < 0.001). We inferred that optimal oocyte quality was partially dependent on the presence of adequate EPA concentrations; EPA could be beneficial to improve oocyte quality in the maturation process, because low concentration tested (1 nM EPA) improved cumulus expansion.
Impact of chronic kidney disease on 2‐year clinical outcomes in patients treated with 6‐month or 24‐month DAPT duration: An analysis from the PRODIGY trial
Authors: Gargiulo Giuseppe , Santucci Andrea , Piccolo Raffaele , Franzone Anna , Ariotti Sara , Baldo Andrea , Esposito Giovanni , Moschovitis Aris , Windecker Stephan , Valgimigli Marco
Published: February 2017

Objectives

To assess whether moderate‐to‐severe CKD is a treatment modifier for benefit or harm in patients randomly allocated to 24‐month versus 6‐month DAPT.

Background

It is still unclear whether chronic kidney disease CKD should impact on the decision‐making on optimal duration of dual antiplatelet therapy (DAPT) after percutaneous coronary intervention (PCI).

Methods and Results

PRODIGY trial randomized 1970 all‐comer patients at 24‐month versus 6‐month DAPT after PCI. Patients with moderate‐to‐severe CKD (n = 604; 30.7%) were older, more likely to be women, to have hypertension, diabetes, prior MI or PCI, with higher severity of coronary artery disease (CAD), but were less frequently smokers or presenting with stable CAD. After adjustment, the 2‐year rates of primary endpoint (composite of death, myocardial infarction and cerebrovascular accident), as well as bleeding and net adverse clinical events were higher in patients with moderate‐to‐severe CKD. DAPT prolongation at 24‐month did not reduce the primary endpoint in both CKD (adj. HR: 0.957; 95% CI 0.652–1.407; P = 0.825) and no‐CKD (adj. HR: 1.341; 95% CI 0.861–2.086; P = 0.194) groups (Pint = 0.249), but increased bleeding in both groups (CKD: adj. HR: 1.999; 95% CI 1.100–3.632; P = 0.023; no‐CKD: adj. HR: 2.880; 95% CI 1.558–5.326; P = 0.001; Pint = 0.407).

Conclusions

Moderate‐to‐severe CKD did not modify the effect of a prolonged or shortened DAPT duration in largely unselected patients undergoing stent implantation. Our analysis suggests that CKD should not be a major driver in the decision‐making on the duration of DAPT after stent implantation. This exploratory study is underpowered and should be considered hypothesis‐generating only. © 2017 Wiley Periodicals, Inc.
Myelodysplastic hematopoiesis mimicking the bone marrow in a mediastinal myelolipoma
Authors: Takano Hina , Takahashi Ken , Taki Kazuhiro
Published: February 2017

Key Clinical Message

Myelolipoma is one of the rare causes of posterior mediastinal tumor. Surgical excision is effective, which differs from the treatment of extramedullary disease usually concomitant with myelodysplastic syndrome. Cytogenetic analysis suggests the bone marrow cell originating myelolipoma.
A Photoregulated DNA‐Based Rotary System and Direct Observation of Its Rotational Movement
Authors: Yang Yangyang , Tashiro Ryu , Suzuki Yuki , Emura Tomoko , Hidaka Kumi , Sugiyama Hiroshi , Endo Masayuki
Published: February 2017

Various DNA‐based nanodevices have been developed on the nanometer scale using light as regulation input. However, the programmed controllability is still a major challenge for these artificial nanodevices. Herein, we demonstrate a rotary DNA nanostructure in which the rotations are controlled by light. A bar‐shaped DNA rotor, fabricated as a stiff double‐crossover molecule, was placed on the top of a rectangular DNA tile. The photoresponsive oligonucleotides modified with azobenzenes were employed as switching motifs to release/trap the rotor at specific angular position on DNA tile by switching photoirradiations between ultraviolet and visible light. As a result, two reconfigurable states (perpendicular and parallel) of rotor were obtained, in which the angular changes were characterized by AFM and fluorescence quenching assays. Moreover, the reversible rotary motions during the photoirradiation were directly visualized on the DNA tile surface in a nanometer‐scale precision using a second‐scale scanning of the high‐speed AFM.
Energy versus Electron Transfer: Controlling the Excitation Transfer in Molecular Triads
Authors: Luo Yusen , Barthelmes Kevin , Wächtler Maria , Winter Andreas , Schubert Ulrich S. , Dietzek Benjamin
Published: February 2017

The photochemistry of RuII coordination compounds is generally discussed to originate from the lowest lying triplet metal‐to‐ligand charge‐transfer state (3MLCT). However, when heteroleptic complexes are considered, for example, in the design of molecular triads for efficient photoinduced charge separation, a complex structure of 1MLCT states, which can be populated in a rather narrow spectral window (typically around 450 nm) is to be considered. In this contribution we show that the localization of MLCT excited states on different ligands can affect the following ps to ns decay pathways to an extent that by tuning the excitation wavelength, intermolecular energy transfer from a RuII–terpyridine unit to a fullerene acceptor can be favored over electron transfer within the molecular triad. These results might have important implications for the design of molecular dyads, triads, pentads and so forth with respect to a specifically targeted response of these complexes to photoexcitation.
Photo‐Induced Click Chemistry for DNA Surface Structuring by Direct Laser Writing
Authors: Kerbs Antonina , Mueller Patrick , Kaupp Michael , Ahmed Ishtiaq , Quick Alexander S. , Abt Doris , Wegener Martin , Niemeyer Christof M. , Barner‐Kowollik Christopher , Fruk Ljiljana
Published: February 2017

Oligonucleotides containing photo‐caged dienes were prepared and shown to react quantitatively in a light‐induced Diels–Alder cycloaddition with functional maleimides in aqueous solution within minutes. Due to its high yield and fast rate, the reaction was exploited for DNA surface patterning with sub‐micrometer resolution employing direct laser writing (DLW). Functional DNA arrays were written by direct laser writing (DLW) in variable patterns, which were further encoded with fluorophores and proteins through DNA directed immobilization. This mild and efficient light‐driven platform technology holds promise for the fabrication of complex bioarrays with sub‐micron resolution.
Viscosity‐concentration relationships for nanodispersions based on glass transition point
Authors: Pal Rajinder
Published: February 2017

The theoretical background relevant to modelling of the viscous behaviour of nanodispersions (nanosuspensions and nanoemulsions) is discussed. Using free‐volume arguments, a simple model is developed to describe the viscous behaviour of nanodispersions. A large pool (16 sets) of available experimental data on the zero‐shear relative viscosity of nanodispersions is correlated on the basis of the effective volume fraction of solvated nanoparticles/nanodroplets. It is found that the experimental data can be successfully correlated using the volume fraction of solvated nanoparticles/nanodroplets only below the glass transition volume fraction of solvated nanoparticles/nanodroplets. The glass transition volume fraction of solvated nanoparticles/nanodroplets is about 0.58, which is in agreement with the value found in the literature. The experimental relative viscosity data of all sixteen sets of nanoemulsions and nanosuspensions collapse on to a single curve which is well described by the proposed model provided that the volume fraction of solvated nanoparticles/nanodroplets is below the glass transition value of 0.58. Above the glass transition volume fraction of 0.58, the correlation of relative viscosity on the basis of solvated volume fraction is not successful. Above the glass transition point, the nanodispersion is in an arrested (jammed) state and is expected to possess yield‐stress. Thus the concept of zero‐shear viscosity itself becomes unreliable and meaningless above the glass transition point.
Synthesis of 5α,8α‐Ergosterol Peroxide 3‐Carbamate Derivatives and a Fluorescent Mitochondria‐Targeting Conjugate for Enhanced Anticancer Activities
Authors: Bu Ming , Cao Tingting , Li Hongxia , Guo Mingzhou , Yang Burton B. , Zeng Chengchu , Hu Liming
Published: February 2017

Inspired by the significant anticancer activity of our previously screened natural ergosterol peroxide (1), we synthesized and characterized a series of novel ergosterol peroxide 3‐carbamate derivatives. The antiproliferative activities of the synthesized compounds against human hepatocellular carcinoma cells (HepG2, SK‐Hep1) and human breast cancer cells (MCF‐7, MDA‐MB231) were investigated. 5α,8α‐Epidioxyergosta‐3‐yl‐(piperazine‐1)carbamate (3 d) and 5α,8α‐epidioxyergosta‐3‐yl‐(piperidin‐4‐methylamine)carbamate (3 f) and their hydrochloride salts exhibited significant in vitro antiproliferative activities against the tested tumor cell lines, with IC50 values ranging from 0.85 to 4.62 μm. Furthermore, fluorescent imaging showed that the designed coumarin–3 d conjugate (5) localized mainly in mitochondria, leading to enhanced anticancer activities over the parent structure 1. As a whole, it appeared that substituent changes at the C3 position could serve as a promising launch point for further design of this type of steroidal anticancer agent.
Outcomes in patients with early‐stage breast cancer who underwent a 21‐gene expression assay
Authors: Barcenas Carlos H. , Raghavendra Akshara , Sinha Arup K. , Syed Masood Pasha , Hsu Limin , Patangan Modesto G. , Chavez‐MacGregor Mariana , Shen Yu , Hortobagyi Gabriel H. , Valero Vicente , Giordano Sharon H. , Ueno Naoto T. , Tripathy Debu
Published: February 2017

BACKGROUND

Invasive disease‐free survival (IDFS) rates are excellent in patients with breast cancer (BC) with hormone receptor‐positive (HR+), human epidermal growth factor receptor 2‐negative (HER2‐), axillary lymph node‐negative (LN‐) tumors with a 21‐gene expression assay recurrence score (RS) of 0 to 10. However, to the authors' knowledge, the outcomes among patients with an RS of 11 to 25 who are treated with endocrine therapy alone are unknown.

METHODS

In this retrospective single‐institution study, the authors described the characteristics of patients with HR+, HER2‐, LN‐ BC who underwent a 21‐gene expression assay. In addition, among those individuals diagnosed between 2005 and 2011, we measured IDFS, recurrence‐free survival, distant recurrence‐free survival, and overall survival rates, focusing on patients with an RS of 11 to 25 by receipt of chemotherapy. The Kaplan‐Meier method was used to estimate survival rates and multivariable Cox proportional hazards models were used to calculate hazard ratios and 95% confidence intervals (95% CIs).

RESULTS

Among 1424 patients, the RS distribution was 0 to 10 in 297 patients (21%), 11 to 25 in 894 patients (63%), and >25 in 233 patients (16%); of these, 1.7%, 15%, and 73.4% of patients, respectively, received chemotherapy. With a median follow‐up of 58 months, those patients with an RS of 11 to 25 had an IDFS rate at 5 years of 92.6% (95% CI, 89.6%‐94.7%), which was comparable between those who received chemotherapy and those who did not. The hazard ratios of the effect of chemotherapy were 1.64 for IDFS (95% CI, 0.73‐3.71), 1.46 for recurrence‐free survival (95% CI, 0.41‐5.23), 1.25 for distant recurrence‐free survival (95% CI, 0.32‐4.92), and 2.19 for overall survival (95% CI, 0.44‐11.0).

CONCLUSIONS

The results of the current study demonstrate similar outcomes with or without chemotherapy in patients with HR+, HER2‐, LN‐ BC who have an RS of 11 to 25, but a benefit from chemotherapy in this group cannot be ruled out. Cancer 2017;123:2422–31. © 2017 American Cancer Society.
Human epididymis protein 4 immunostaining of malignant ascites differentiates cancer of Müllerian origin from gastrointestinal cancer
Authors: Stiekema Anna , Van de Vijver Koen K. , Boot Henk , Broeks Annegien , Korse Catharina M. , van Driel Willemien J. , Kenter Gemma G. , Lok Christianne A.R.
Published: February 2017

BACKGROUND

An accurate diagnosis of cancer of Müllerian origin is required before the initiation of treatment. An overlap in clinical presentation and cytological, histological, or imaging studies with other nongynecological tumors does occur. Therefore, immunocytochemistry markers are used to determine tumor origin. Human epididymis protein 4 (HE4) is overexpressed in tissue of epithelial ovarian cancer (EOC). It has shown to be a sensitive and specific serum marker for EOC and to be of value for the differentiation between EOC and ovarian metastases of gastrointestinal origin. The objective of the current study was to evaluate HE4 immunocytochemistry in malignant ascites for differentiation between cancer of Müllerian origin, including EOC, and adenocarcinomas of the gastrointestinal tract.

METHODS

Cytological specimens of 115 different adenocarcinomas (45 EOCs, 46 cases of gastric cancer, and 24 cases of colorectal cancer) were stained for HE4, paired box 8 (PAX8), and other specific markers.

RESULTS

91% of the ascites samples from patients with EOC stained for both HE4 and PAX8. The 4 samples without HE4 staining were a clear cell carcinoma, a low‐grade serous adenocarcinoma, an undifferentiated adenocarcinoma, and a neuroendocrine carcinoma. All high‐grade serous adenocarcinomas (n = 37, 100%) stained with HE4, compared with 94% that stained positively for PAX8. In cases of gastric or colorectal cancer, 25% and 21% of cases, respectively, stained positive for HE4. No PAX8 staining was observed in colorectal or gastric adenocarcinomas.

CONCLUSIONS

HE4 staining in ascites is feasible and appears to have a high sensitivity for high‐grade serous ovarian cancer. HE4 is a useful addition to the current panel of immunocytochemistry markers for the diagnosis of EOC and for differentiation with gastrointestinal adenocarcinomas. Cancer Cytopathol 2017;125:197–204. © 2016 American Cancer Society.
Specialized photoreceptor composition in the raptor fovea
Authors: Mitkus Mindaugas , Olsson Peter , Toomey Matthew B. , Corbo Joseph C. , Kelber Almut
Published: February 2017

The retinae of many bird species contain a depression with high photoreceptor density known as the fovea. Many species of raptors have two foveae, a deep central fovea and a shallower temporal fovea. Birds have six types of photoreceptors: rods, active in dim light, double cones that are thought to mediate achromatic discrimination, and four types of single cones mediating color vision. To maximize visual acuity, the fovea should only contain photoreceptors contributing to high‐resolution vision. Interestingly, it has been suggested that raptors might lack double cones in the fovea. We used transmission electron microscopy and immunohistochemistry to evaluate this claim in five raptor species: the common buzzard (Buteo buteo), the honey buzzard (Pernis apivorus), the Eurasian sparrowhawk (Accipiter nisus), the red kite (Milvus milvus), and the peregrine falcon (Falco peregrinus). We found that all species, except the Eurasian sparrowhawk, lack double cones in the center of the central fovea. The size of the double cone‐free zone differed between species. Only the common buzzard had a double cone‐free zone in the temporal fovea. In three species, we examined opsin expression in the central fovea and found evidence that rod opsin positive cells were absent and violet‐sensitive cone and green‐sensitive cone opsin positive cells were present. We conclude that not only double cones, but also single cones may contribute to high‐resolution vision in birds, and that raptors may in fact possess high‐resolution tetrachromatic vision in the central fovea.