bluuebunny/crossref_metadata_2025 huggingface dataset:
Copper‐Catalyzed Semi‐Reduction of Alkynes
Authors: Cox Nick , Dang Hester , Whittaker Aaron M. , Lalic* Gojko
Published: March 2017

The semi‐reduction of alkynes to form alkenes is one of the most important reactions in organic chemistry. The reactions reach full conversion without any over‐reduction of the alkene to the alkane, avoiding the need for careful monitoring of reaction progress. In the case of internal alkynes, the semi‐reduction is completely Z‐selective and no isomerization is detected. Finally, this transformation can be achieved using commercially available reagents without the need for a glovebox, and the products can be easily isolated by filtration through silica or alumina.
Synthesis of a 2,2‐Dichloroimidazolidine‐4,5‐dione and its Application in a Chlorodehydroxylation
Authors: Schilter* David , Bielawski* Christopher W.
Published: March 2017

The article describes the synthesis of 2,2‐dichloroimidazolidine‐4,5‐dione. Dihaloimidazolidinediones exhibit electrophilic characteristics applicable to the synthesis of,
inter alia
, dioxoguanides or imidazolidinetriones upon treatment with primary amines or water, respectively. The dihaloimidazolidinediones and their carbene derivatives may be considered as privileged reagents envisioned for use in a range of transition metal‐mediated and organocatalyzed transformations.
Quantification of the SF6 lifetime based on mesospheric loss measured in the stratospheric polar vortex
Authors: Ray Eric A. , Moore Fred L. , Elkins James W. , Rosenlof Karen H. , Laube Johannes C. , Röckmann Thomas , Marsh Daniel R. , Andrews Arlyn E.
Published: March 2017

Sulfur hexafluoride (SF6) is a greenhouse gas with one of the highest radiative efficiencies in the atmosphere as well as an important indicator of transport time scales in the stratosphere. The current widely used estimate of the atmospheric lifetime of SF6 is 3200 years. In this study we use in situ measurements in the 2000 Arctic polar vortex that sampled air with up to 50% SF6 loss to calculate an SF6 lifetime. Comparison of these measurements with output from the Whole Atmosphere Community Climate Model (WACCM) shows that WACCM transport into the vortex is accurate and that an important SF6 loss mechanism, believed to be electron attachment, is missing in the model. Based on the measurements and estimates of the size of the vortex, we calculate an SF6 lifetime of 850 years with an uncertainty range of 580–1400 years. The amount of SF6 loss is shown to be consistent with that of HFC‐227ea, which has a lifetime of 670–780 years, adding independent support to our new SF6 lifetime estimate. Based on the revised lifetime the global warming potential of SF6 will decrease only slightly for short time horizons (<100 years) but will decrease substantially for time horizons longer than 2000 years. Also, the use of SF6 measurements as an indicator of transport time scales in the stratosphere clearly must account for potential influence from polar vortex air.
Slope, grain size, and roughness controls on dry sediment transport and storage on steep hillslopes
Authors: DiBiase Roman A. , Lamb Michael P. , Ganti Vamsi , Booth Adam M.
Published: March 2017

Existing hillslope sediment transport models developed for low‐relief, soil‐mantled landscapes are poorly suited to explain the coupling between steep rocky hillslopes and headwater channels. Here we address this knowledge gap using a series of field and numerical experiments to inform a particle‐based model of sediment transport by dry ravel—a mechanism of granular transport characteristic of steep hillslopes. We find that particle travel distance increases as a function of the ratio of particle diameter to fine‐scale (<1 m) topographic roughness, in agreement with prior laboratory and field experiments. Contrary to models that assume a fixed critical slope, the particle‐based model predicts a broad transition as hillslopes steepen from grain‐scale to hillslope‐scale mean particle travel distances due to the trapping of sediment on slopes more than threefold steeper than the average friction slope. This transition is further broadened by higher macroscale (>1 m) topographic variability associated with rocky landscapes. Applying a 2‐D dry‐ravel‐routing model to lidar‐derived surface topography, we show how spatial patterns of local and nonlocal transport control connectivity between hillslopes and steep headwater channels that generate debris flows through failure of ravel‐filled channels following wildfire. Our results corroborate field observations of a patchy transition from soil‐mantled to bedrock landscapes and suggest that there is a dynamic interplay between sediment storage, roughness, grain sorting, and transport even on hillslopes that well exceed the angle of repose.
Phase Diagram of BiFeO3/LaFeO3 Superlattices: Antiferroelectric‐Like State Stability Arising from Strain Effects and Symmetry Mismatch at Heterointerfaces
Authors: Carcan Benjamin , Bouyanfif Houssny , El Marssi Mimoun , Le Marrec Françoise , Dupont Loic , Davoisne Carine , Wolfman Jérôme , Arnold Donna C.
Published: March 2017

(BiFeO3)(1−x)Λ/(LaFeO3)xΛ superlattices (SLs) have been grown using pulsed laser deposition and studied by X‐ray diffraction, transmission electron microscopy (TEM), and Raman spectroscopy. The composition is varied, 0.30 ≤ x ≤ 0.85, while the modulation period Λ is kept constant at about 10 nm. Unit cell doubling signatures typical of orthorhombic Pnma symmetry for x = 0.80 and 0.85 SLs and ¼{011} antiferroelectric PbZrO3‐like reflections in SLs with 0.30 ≤ x ≤ 0.7 are detected by TEM showing a complex structural mixture at the nanoscale level. The Raman spectra confirm these observations and show a change in the SLs from a Pnma LaFeO3‐like spectra for LaFeO3‐rich period to a PbZrO3‐like spectra for BiFeO3‐rich period. Electron–phonon interactions and resonant‐like excitations are also observed in the SLs. A temperature‐dependent X‐ray diffraction investigation shows a large shift of the paraelectric‐antiferroelectric phase transition scaling with the BiFeO3 thickness. This shift is correlated with the strain state and can be explained by a strong interplay between octahedral rotation/tilt and antipolar Bi displacement. Thickness–temperature phase diagram is constructed and differs from previous report showing the extreme sensitivity of the BiFeO3 phase stability to strain effects and rotation/tilt degrees of freedom.
Ancestry dynamics in a South American population: The impact of gene flow and preferential mating
Authors: Hedrick Philip W.
Published: March 2017

Objectives

European ancestry in many populations in Latin America at autosomal loci is often higher than that from X‐linked loci indicating more European male ancestry and more Amerindian female ancestry. Generally, this has been attributed to more European male gene flow but could also result from an advantage to European mating or reproductive success.

Methods

Population genetic models were developed to investigate the dynamics of gene flow and mating or reproductive success. Using estimates of autosomal and X‐chromosome European ancestry, the amount of male gene flow or mating or reproductive advantage for Europeans, or those with European ancestry, was estimated.

Results

In a population from Antioquia, Colombia with an estimated 79% European autosomal ancestry and an estimated 69% European X‐chromosome ancestry, about 15% male gene flow from Europe or about 20% mating or reproductive advantage of Europeans over Amerindians resulted in these levels of European ancestry in the contemporary population. Combinations of gene flow and mating advantage were nearly additive in their impact.

Conclusions

Gene flow, mating advantage, or a combination of both factors, are consistent with observed levels of European ancestry in a Latin American population. This approach provides a general methodology to determine the levels of gene flow and mating differences that can explain the observed contemporary differences in ancestry from autosomes and X‐chromosomes.
Aminophenolates of aluminium, gallium and zinc: Synthesis, characterization and polymerization activity
Authors: Basiak Dariusz , Dobrzycki Łukasz , Socha Paweł , Rzepiński Patryk , Plichta Andrzej , Bujnowski Krzysztof , Synoradzki Ludwik , Orłowska Natalia , Ziemkowska Wanda
Published: March 2017

Complexes containing aminophenolate ligands are considered as very efficient initiators of ring‐opening polymerization (ROP). Our systematic studies of the reactions of two selected aminophenols, 2‐[(p‐tolylamino)methyl]‐4‐(2,4,4‐trimethylpentan‐2‐yl)phenol (L'H2) and 2‐cyclohexylaminomethyl‐4‐methylphenol (L″H2), with alkyl compounds of aluminium, gallium and zinc resulted in the formation of a variety of products depending on the type of metallic centre and alkyl groups bonded to metal atoms. New trinuclear aluminium complexes (Me5Al3(L′)2 (1) and Me5Al3(L″)2 (2)), monomeric aluminium (tBu2Al(L'H) (3) and tBu2Al(L″H) (5)) and gallium (tBu2Ga(L'H) (4) and tBu2Ga(L″H) (6)) compounds, and dinuclear gallium (Et2Ga(L″H)·Et3Ga (7)) and zinc (tBuZn(L″H)]2 (8)) complexes were isolated and characterized. The molecular and crystal structures of 7 and 8 were determined on the basis of an X‐ray diffraction study. Polymerization tests showed that only three complexes (6–8) had activity in the ROP of ε‐caprolactone, whereas 1–5 were inactive in ROP.
Enhancement of thermoelectric conversion efficiency of polymer/carbon nanotube nanocomposites through foaming‐induced microstructuring
Authors: Aghelinejad Mohammadmehdi , Leung Siu N.
Published: March 2017

Semiconducting‐based materials such as bismuth antimony are current thermoelectric (TE) materials of choice because of their superior TE efficiency, which can be characterized by the dimensionless figure of merit (ZT). However, factoring the cost, weight, and environmental concerns, polymeric TE material systems have become attractive alternatives despite their lower ZT values. The potential to tailor the flexibility of polymeric TE materials also represent another key advantage, especially for wearable electronics. One of the key challenges to enhance their ZT values is the need to simultaneously increase the electrical conductivity and the Seebeck coefficient, while supressing the thermal conductivity. In this research, physical foaming is suggested as an innovative and effective processing strategy to circumvent this challenge. Multi‐walled carbon nanotube (MWCNT)/high density polyethylene (HDPE) nanocomposite foams were fabricated as a case example. Experimental results showed that introducing cellular structures in MWCNT/HDPE nanocomposites, loaded with 15 wt % MWCNT, would result in a 600‐fold increase in their ZT values. This great improvement was achieved through significantly reducing their effective thermal conductivity, while simultaneously increasing their electrical conductivity and Seebeck coefficients. The findings have proven that foaming can serve as a novel strategy to enhance the efficiency of various polymeric TE materials. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45073.
The application of constitutively solvent‐tolerant P. taiwanensis VLB120ΔCΔttgV for stereospecific epoxidation of toxic styrene alleviates carrier solvent use
Authors: Volmer Jan , Schmid Andreas , Bühler Bruno
Published: March 2017

For whole‐cell biotransformations involving toxic organic compounds, two‐liquid phase setups are typically applied employing an apolar extractive phase. Bis(2‐ethylhexyl)phthalate (BEHP) has proven to be an ideal solvent for stereospecific styrene epoxidation with recombinant E. coli, providing excellent extractive properties and a high biocompatibility. In eco‐efficiency evaluations, BEHP, however, has been identified as a critical factor regarding costs and environmental impact. In this study, the constitutive solvent tolerance of Pseudomonas taiwanensis VLB120ΔCΔttgV is shown to enable high specific activities (up to 180 U gCDW−1) and extensive reduction of the BEHP amount in two‐liquid phase setups and thus to constitute an excellent tool to improve the environmental and economic efficiency of such processes. At a 90% reduction of carrier solvent use and accordingly increased aqueous styrene concentrations, this strain still showed reasonably high specific styrene epoxidation activities (100 U gCDW−1), while the solvent‐adaptable wildtype strain immediately was toxified. A moderate 55% reduction of BEHP enabled a specific activity of 150 U gCDW−1 and thus represents a good trade‐off between volumetric productivity maximization and environmental impact minimization. These results for the first time show a clear benefit of a solvent‐tolerant compared to solvent‐sensitive host strains and how such a benefit can be achieved.
Photoluminescence Characteristics of Green‐emitting ZnGa2S4:Eu and EuGa2S4 Phosphors
Authors: Cho Young‐Sik , Huh Young‐Duk
Published: March 2017

Zn(1−x)Ga2S4:xEu (x = 0.03, 0.06, 0.09, 0.12, 0.15, 0.25, 0.50, 0.75, 1.0) phosphors were synthesized by performing a solid‐state reaction. ZnGa2S4:Eu and EuGa2S4 crystal structures were confirmed by the XRD data. The photoluminescence (PL) spectra of the Zn(1−x)Ga2S4:xEu phosphors were examined. Zn(1−x)Ga2S4:xEu phosphor had a strong absorption near 465 nm, which was equal to the emission wavelength of the commercial blue‐emitting diode. Zn(1−x)Ga2S4:xEu phosphor produced a single emission band between 520 and 580 nm. The feasibility of Zn(1−x)Ga2S4:xEu as a green‐emitting phosphor pumped by the blue‐emitting diode was investigated. A three‐band white emission was obtained by coating a mixture of Zn(1−x)Ga2S4:xEu and CaS:Eu phosphors onto the surface of a blue‐emitting diode.
Mapping the Interactions of Selective Biochemical Probes of Antibody Conformation by Hydrogen–Deuterium Exchange Mass Spectrometry
Authors: Leurs Ulrike , Beck Hermann , Bonnington Lea , Lindner Ingo , Pol Ewa , Rand Kasper
Published: March 2017

Protein‐based pharmaceuticals represent the fastest growing group of drugs in development in the pharmaceutical industry. One of the major challenges in the discovery, development, and distribution of biopharmaceuticals is the assessment of changes in their higher‐order structure due to chemical modification. Here, we investigated the interactions of three different biochemical probes (Fabs) generated to detect conformational changes in a therapeutic IgG1 antibody (mAbX) by local hydrogen‐deuterium exchange mass spectrometry (HDX‐MS). We show that two of the probes target the Fc part of the antibody, whereas the third probe binds to the hinge region. Through HDX‐ETD, we could distinguish specific binding patterns of the Fc‐binding probes on mAbX at the amino‐acid level. Preliminary surface plasmon resonance (SPR) experiments showed that these domain‐selective Fab probes are sensitive to conformational changes in distinct regions of a full‐length therapeutic antibody upon oxidation.
Lewis Acid Mediated Nazarov Cyclization as a Convergent and Enantioselective Entry to C‐nor‐D‐homo‐Steroids
Authors: Krieger Johannes , Smeilus Toni , Schackow Oliver , Giannis Athanassios
Published: March 2017

A straightforward synthesis of C‐nor‐D‐homo steroids starting from (+)‐Wieland–Miescher ketone is reported. This convergent synthetic strategy utilizes a scalable diastereoselective Nazarov cyclization of functionalized chiral aryl vinyl ketones, allowing for further functionalization. The ability to conduct this key transformation on a multi‐gram scale paves the way for the synthesis of a variety of completely new C‐nor‐D‐homo steroids, without the need of a classic steran steroid rearrangement or achiral linear reaction sequences.
Direct C−H Phosphonylation of Electron‐Rich Arenes and Heteroarenes by Visible‐Light Photoredox Catalysis
Authors: Shaikh Rizwan S. , Ghosh Indrajit , König Burkhard
Published: March 2017

The direct transformation of ubiquitous, but chemically inert C−H bonds into diverse functional groups is an important strategy in organic synthesis that improves the atom economy and faclitates the preparation and modification of complex molecules. In contrast to the wide applications of aryl phosphonates, their synthesis via direct C−H bond phosphonylation is a less explored area. We report here a general, mild, and broadly applicable visible‐light photoredox C−H bond phosphonylation method for electron‐rich arenes and heteroarenes. The photoredox catalytic protocol utilizes electron‐rich arenes and biologically important heteroarenes as substrates, [Ru(bpz)3][PF6]2 as photocatalyst, ammonium persulfate as oxidant, and trialkyl phosphites as the phosphorus source to provide a wide range of aryl phosphonates at ambient temperature under very mild reaction conditions.
Vinylpyridines as Building Blocks for the Photocatalyzed Synthesis of Alkylpyridines
Authors: Capaldo Luca , Fagnoni Maurizio , Ravelli Davide
Published: March 2017

The photocatalyzed addition of several hydrogen donors (ethers, aldehydes, alkanes, amides) onto vinylpyridines was achieved. This approach provided access to alkylpyridines, which are important building blocks for the preparation of compounds with biological activity. The strategy was very simple and straightforward because it required only a small amount of a cheap decatungstate salt as photocatalyst. As an added advantage, the reaction could be performed under sunlight irradiation as well as under flow conditions.
Highly Chemoselective Reduction of Nitroarenes Using a Titania‐Supported Platinum‐Nanoparticle Catalyst under a CO Atmosphere
Authors: Li Shushuang , Wang Fuzerong , Liu Yongmei , Cao Yong
Published: March 2017

The discovery that supported gold catalysts can promote CO/H2O‐mediated reduction at ambient temperatures is important to chemoselective synthesis and has gained significant attention in recent years. Whether the alternative Pt group metal (PGM) catalysts can exhibit such exceptional performance is thus an interesting research issue. So far, no PGM catalyst shows activity for CO/H2O‐mediated reduction at ambient temperatures. Here, we demonstrate that it is possible to transform nonactive into highly active and selective catalysts for CO/H2O‐mediated reduction by modulating the interfacial structure and electronic properties at the metal‐support interfaces. Thus, highly active and chemoselective hydrogenation Pt, Ir, Rh and Pd catalysts can be prepared by decorating the exposed metal faces with partially reduced support species by means of a simple catalyst activation procedure. In this way, it has been possible to dramatically facilitate the previously unappreciated PGM‐catalyzed activation of CO molecules under mild conditions, which can make a significant contribution not only to reveal the intrinsic catalytic potential of supported PGMs but also to establish a more sustainable and industrially‐relevant process.
Agreement between cytotechnologists and cytopathologists as a new measure of cytopathologist performance in gynecologic cytology
Authors: Quinn Andrew M. , Minhajuddin Abu T. , Hynan Linda S. , Reisch Joan S. , Cibas Edmund S.
Published: March 2017

BACKGROUND

Although objective measures of cytotechnologist (CT) and cytopathologist (CP) performance exist, challenges remain. Two assumptions deserve examination: CPs' interpretations are correct, and CTs and CPs render interpretations independently of each other. This study presents a CT‐CP interpretation comparison and provides insight into these assumptions.

METHODS

Every gynecologic cytology specimen examined by both a CT and a CP from December 2004 to March 2015 was extracted from the laboratory information system; glandular interpretations were excluded. Excel and SAS were used for CT‐CP pair analysis. CT‐CP pairs with fewer than 32 specimens (the lowest quartile) were excluded. For the remaining CT‐CP pairs, 30 specimens or 10% of the specimens (whichever was higher) were randomly selected for comparison by a weighted κ statistic. κ values greater than 0.6 represented good agreement within CT‐CP pairs.

RESULTS

This study evaluated 7116 of 53,241 gynecologic cytology specimens (13.4%) that received CT and CP interpretations. This resulted in 155 pair‐specific κ values from 15 CTs and 16 CPs. In aggregate, the κ values had a mean of 0.64, a standard deviation of 0.14, a median of 0.65, and a range of 0.27 to 0.91. Nine CTs exhibited good agreement in the majority of their pair‐specific κ values with CPs (high‐concordance CTs; 88 pair‐specific κ values). This allowed us to identify outlier CPs who did not demonstrate good agreement with high‐concordance CTs (16 of 88 pair‐specific κ values [18.2%]).

CONCLUSIONS

Laboratories can use this κ to determine when CP levels of agreement with CTs depart from those of their peers. Adding this to established metrics can give a more nuanced impression of CP performance. Cancer Cytopathol 2017;125:576–80. © 2017 American Cancer Society.
Fine‐Tunable Electronic Energy Levels of Mixed‐Metal Prussian‐Blue Alloy Nanoparticles
Authors: Ishizaki Manabu , Ono Kenta , Suzuki Kento , Naito Wataru , Kanaizuka Katsuhiko , Kawamoto Tohru , Tanaka Hisashi , Kurihara Masato
Published: March 2017

A specific electronic interaction among metal ions emerges in solution‐processed films of coordination polymer (CP) nanoparticles (NPs). The most classic CP, Prussian blue (PB), is alloyed with Ni to form FexNi3−x[Fe(CN)6]2 showing an identical X‐ray crystallographic phase in all composition ratios of 0≤x≤3. By surface modification using [Fe(CN)6]4−, the PB alloy NPs are dispersed into water, and spin‐coated films of the NPs adhere to indium‐tin‐oxide substrates via a low‐temperature heating process at 100 °C. It is revealed that systematic fine tuning of the electronic energy levels is optically and electrochemically possible in the films by controlling the composition ratios. This is possible due to the d(t2g)–π*(C≡N−) electronic conjugation among three redox‐active iron species, FeII−C≡N, FeIII−C≡N, and FeIII−N≡C, which coexist by alloying with Ni. The heating process conducts the restoration of discontinued d–π* bonding networks among the NPs.
Predation environment affects boldness temperament of neotropical livebearers
Authors: Rasmussen Josh E. , Belk Mark C.
Published: March 2017

Behavioral traits of individuals are important phenotypes that potentially interact with many other traits, an understanding of which may illuminate the evolutionary forces affecting populations and species. Among the five axes of temperament is the propensity to behave boldly in the presence of a perceived risk. To determine the effect of different predatorial regimes on boldness and fearfulness, we assessed the behavior of individuals in a novel portable swim chamber (i.e., forced open‐field test) by Brachyrhaphis rhabdophora (n = 633). We used an information theoretic framework to compare generalized (logistic) linear fixed‐effects models of predatorial regime (predator‐free [n = 6] and predator [n = 4] sites), sex, and standard length (SL). Fish from predator sites were much more fearful in the novel arena than fish from nonpredator sites. This varied by length, but not by sex. At 48 mm SL, fish from nonpredator sites were 4.9 times more likely to express bold behavior (ambulation) in the novel swim chamber as fish from predator sites. Probabilities of “ambulating” within the swim chamber increased with size for nonpredator sites and decreased with size for predator sites.
Outcome of subsequent pregnancies in patients with a history of peripartum cardiomyopathy
Authors: Hilfiker‐Kleiner Denise , Haghikia Arash , Masuko David , Nonhoff Justus , Held Dominik , Libhaber Elena , Petrie Mark C. , Walker Niki L. , Podewski Edith , Berliner Dominik , Bauersachs Johann , Sliwa Karen
Published: March 2017

Aims

Subsequent pregnancies (SSPs) in patients with peripartum cardiomyopathy (PPCM) have a high risk of heart failure relapse. We report on outcome of SSPs in PPCM patients in Germany, Scotland, and South Africa.

Methods and results

Among 34 PPCM patients with a SSP, pregnancy ended prematurely in four patients while it was full‐term in 30. Overall relapse rate [left ventricular ejection fraction, (LVEF) <50% or death after at least 6‐month follow‐up] was 56% with 12% (4/34) mortality. Relapse of PPCM after SSP was not associated with differences in parity, twin pregnancy, gestational hypertension, or smoking. Persistently reduced LVEF (<50%) before entering SSP was present in 47% of patients while full recovery (LVEF ≥50%) was present in 53%. The majority of patients entering SSP with persistently reduced LVEF were of African ethnicity (75%). Persistently reduced LVEF before SSP was associated with higher mortality (25% vs. 0%) and lower rate of full recovery at follow‐up. Patients obtaining standard therapy for heart failure and bromocriptine immediately after delivery displayed significantly better LVEF at follow‐up and a higher rate of full recovery with no patient dying compared with patients obtaining standard therapy for heart failure alone. This was independent of African or Caucasian race.

Conclusion

Full recovery of LVEF before SSP was associated with lower mortality and better cardiac function at follow‐up. Addition of bromocriptine to standard therapy for heart failure immediately after delivery was safe and seemed to be associated with a better outcome of SSP in African and Caucasian patients.
Adsorption of phosphorus based on Hangjin clay granular ceramic from aqueous solution and sewage: Fixed‐bed column study
Authors: Yu Yang , Chen Nan , Wang Di , Tian Caixing , Li Miao , Feng Chuanping
Published: March 2017

The aim of this study was to evaluate the potential use of the Hangjin clay ceramic adsorbent for phosphorus removal from aqueous solution and municipal sewage in column systems. The effect of several factors, including bed depth, initial phosphorus concentration, and flow rate was investigated at room temperature. As a result, the breakthrough time increased with increasing in the bed depth, whereas inverse relationship was observed with the initial phosphorus concentration and flow rate. Moreover, municipal sewage treatment results proved the effectiveness of the adsorbent in practical application and further demonstrated some co‐existing ions in sewage had little effect on the continuous adsorption process. Adsorption models, which are the basis for the process design at a real scale, were used to estimate the characteristic parameters of columns. The dynamic adsorption kinetic data well agreed with the Adams‐Bohart and Clark models. The Yoon‐Nelson and BDST models could be successfully used to predict the breakthrough time. The observed maximum dynamic adsorption capacity of the ceramic adsorbent for phosphorus removal was 19.28 mg g−1. The Hangjin clay granular ceramic could be used as a high‐efficiency phosphorus adsorbent in the aspect of the municipal sewage treatment. © 2017 American Institute of Chemical Engineers Environ Prog, 36: 1323–1332, 2017
Mincer–Zarnowitz quantile and expectile regressions for forecast evaluations under aysmmetric loss functions
Authors: Guler Kemal , Ng Pin T. , Xiao Zhijie
Published: March 2017

Forecasts are pervasive in all areas of applications in business and daily life. Hence evaluating the accuracy of a forecast is important for both the generators and consumers of forecasts. There are two aspects in forecast evaluation: (a) measuring the accuracy of past forecasts using some summary statistics, and (b) testing the optimality properties of the forecasts through some diagnostic tests. On measuring the accuracy of a past forecast, this paper illustrates that the summary statistics used should match the loss function that was used to generate the forecast. If there is strong evidence that an asymmetric loss function has been used in the generation of a forecast, then a summary statistic that corresponds to that asymmetric loss function should be used in assessing the accuracy of the forecast instead of the popular root mean square error or mean absolute error. On testing the optimality of the forecasts, it is demonstrated how the quantile regressions set in the prediction–realization framework of Mincer and Zarnowitz (in J. Mincer (Ed.), Economic Forecasts and Expectations: Analysis of Forecasting Behavior and Performance (pp. 14–20), 1969) can be used to recover the unknown parameter that controls the potentially asymmetric loss function used in generating the past forecasts. Finally, the prediction–realization framework is applied to the Federal Reserve's economic growth forecast and forecast sharing in a PC manufacturing supply chain. It is found that the Federal Reserve values overprediction approximately 1.5 times more costly than underprediction. It is also found that the PC manufacturer weighs positive forecast errors (under forecasts) about four times as costly as negative forecast errors (over forecasts).
Synthetic β‐nitrostyrene derivative CYT‐Rx20 as inhibitor of oral cancer cell proliferation and tumor growth through glutathione suppression and reactive oxygen species induction
Authors: Wang Yen‐Yun , Chen Yuk‐Kwan , Hsu Ya‐Ling , Chiu Wen‐Chin , Tsai Chun‐Hao , Hu Stephen Chu‐Sung , Hsieh Pei‐Wen , Yuan Shyng‐Shiou F.
Published: March 2017

Background

The β‐nitrostyrene family possesses anticancer properties. In this study, β‐nitrostyrene derivative CYT‐Rx20 (3′‐hydroxy‐4′‐methoxy‐β‐methyl‐β‐nitrostyrene) was synthesized and investigated its anticancer activity in oral cancer.

Methods

Anticancer activity of CYT‐Rx20 and the underlying mechanisms were analyzed using cell viability assay, reactive oxygen species (ROS) generation assay, fluorescence‐activated cell sorter analysis, annexin V staining, comet assay, glutathione (GSH)/glutathione disulfide (GSSG) ratio, immunoblotting, soft agar assay, nude mice xenograft study, and immunohistochemistry.

Results

CYT‐Rx20‐induced cell apoptosis via ROS generation and mitochondrial membrane potential reduction, associated with release of mitochondrial cytochrome C to cytosol and activation of downstream caspases and poly ADP‐ribose polymerase (PARP). Furthermore, CYT‐Rx20 induced mitochondrial ROS accumulation and mitochondrial dysfunction, followed by GSH downregulation. CYT‐Rx20‐induced cell apoptosis, ROS generation, and DNA damage were reversed by thiol antioxidants. In nude mice, CYT‐Rx20 inhibited oral tumor growth accompanied by increased expression of γH2AX, GSH reductase, and cleaved‐caspase‐3.

Conclusion

CYT‐Rx20 has the potential to be further developed into an antioral cancer drug clinically. © 2017 Wiley Periodicals, Inc. Head Neck 39: 1055–1064, 2017
Identification of a novel alpha‐fetoprotein‐expressing cell population induced by the Jagged1/Notch2 signal in murine fibrotic liver
Authors: Nakano Yasuhiro , Nakao Sachie , Sumiyoshi Hideaki , Mikami Kenichiro , Tanno Yuri , Sueoka Minako , Kasahara Daigo , Kimura Hiroshi , Moro Tadashi , Kamiya Akihide , Hozumi Katsuto , Inagaki Yutaka
Published: March 2017

The liver is well known to possess high regenerative capacity in response to partial resection or tissue injury. However, liver regeneration is often impaired in the case of advanced liver fibrosis/cirrhosis when mature hepatocytes can hardly self‐proliferate. Hepatic progenitor cells have been implicated as a source of hepatocytes in regeneration of the fibrotic liver. Although alpha‐fetoprotein (AFP) is known as a clinical marker of progenitor cell induction in injured/fibrotic adult liver, the origin and features of such AFP‐producing cells are not fully understood. Here, we demonstrate a unique and distinct AFP‐expressing cell population that is induced by the Jagged1/Notch2 signal in murine fibrotic liver. Following repeated carbon tetrachloride injections, a significant number of AFP‐positive cells with high proliferative ability were observed along the fibrous septa depending on the extent of liver fibrosis. These AFP‐positive cells exhibited features of immature hepatocytes that were stained positively for hepatocyte‐lineage markers, such as albumin and hepatocyte nuclear factor 4 alpha, and a stem/progenitor cell marker Sox9. A combination of immunohistological examination of fibrotic liver tissues and coculture experiments with primary hepatocytes and hepatic stellate cells indicated that increased Jagged1 expression in activated hepatic stellate cells stimulated Notch2 signaling and up‐regulated AFP expression in adjacent hepatocytes. The mobilization and proliferation of AFP‐positive cells in fibrotic liver were further enhanced after partial hepatectomy, which was significantly suppressed in Jagged1‐conditional knockout mice. Finally, forced expression of the intracellular domain of Notch2 in normal liver induced a small number of AFP‐expressing hepatocytes in vivo. Conclusion: Insight is provided into a novel pathophysiological role of Jagged1/Notch2 signaling in the induction of AFP‐positive cells in fibrotic liver through the interaction between hepatocytes and activated hepatic stellate cells. (Hepatology Communications 2017;1:215‐229)
HydRun: A MATLAB toolbox for rainfall–runoff analysis
Authors: Tang Weigang , Carey Sean K.
Published: March 2017

Understanding the nature of streamflow response to precipitation inputs is at the core of hydrological applications and water resource management. Indices such as the base flow index, recession constant, and response lag of a watershed retain an important place in hydrology as metrics to compare watersheds and understand the impact of human activity, geology, geomorphology, soils, and climate on precipitation–runoff relations. Extracting characteristics of the hyetograph–hydrograph relationship is often done manually, which is time consuming and may result in subjective and potentially inconsistent outcomes. Here, we present a MATLAB‐based toolbox, called HydRun, for rapid and flexible rainfall–runoff analysis. HydRun uses a series of flexible routines to extract base flow from the hydrograph and then computes commonly used time instants of the rainfall–runoff relationship. HydRun provides users the flexibility to decide thresholds and limits of analysis, but objectively computes hydrometric indices. The toolkit includes a graphical user interface and example files. In this paper, we apply HydRun to 4 watersheds, 3 in Scotland and 1 in Canada, to demonstrate the software functions and highlight important decisions the user must make in its application.
Fabrication of a mechanically anisotropic poly(glycerol sebacate) membrane for tissue engineering
Authors: Hsu Chi‐Nung , Lee Pei‐Yuan , Tuan‐Mu Ho‐Yi , Li Chen‐Yu , Hu Jin‐Jia
Published: March 2017

Poly(glycerol sebacate) (PGS) has been used successfully as a scaffolding material for soft tissue engineering. PGS scaffolds, however, are usually mechanically isotropic, which may restrict their use in tissue repairs as many soft tissues in the body have anisotropic mechanical behaviors. Although various methods have been used to fabricate anisotropic scaffolds, it remains challenging to make anisotropic scaffolds from thermoset PGS. Here a new, simple method to fabricate an anisotropic PGS membrane which can then be used to construct thicker three‐dimensional anisotropic scaffolds was developed. First, an aligned sacrificial poly(vinyl alcohol) fibrous membrane was prepared by electrospinning. The fibrous membrane was then partially immersed in PGS prepolymer solution, resulting in a composite membrane upon drying. After curing, the sacrificial fibers within the membrane were removed by water, supposedly leaving aligned cylindrical pores in the membrane. Both SEM and AFM illustrated aligned grooves on the surface of the resultant PGS membrane, indicating the successful removal of sacrificial fibers. The PGS membrane was validated to be mechanically anisotropic using uniaxial tensile testing along and perpendicular to the predominant pore direction. The in vitro cytocompatibility of the PGS membrane was confirmed. As a demonstration of its potential application in vascular tissue engineering, a tubular scaffold was constructed by wrapping a stack of two axisymmetric pieces of the anisotropic PGS membranes on a mandrel. The compliance of the scaffold was found to depend on the pitch angle of its double helical structure, imitating the anisotropic mechanical behavior of the arterial media. © 2017 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 106B: 760–770, 2018.
Exploring the influence of MPA‐capped CdTe quantum dots on the structure and function of lysozyme probing by spectroscopic and calorimetric methods
Authors: Zhao Lining , Sun Tao , Zhang Xun , Song Wei , Liu Rutao
Published: March 2017

The effect of 3‐mercaptopropionic acid (MPA)‐capped CdTe quantum dots (QDs) on lysozyme was systematically investigated by spectroscopic methods, enzyme activity assay, and calorimetry techniques. Results show that the MPA‐capped CdTe QDs binded to lysozyme through van der Walls forces and hydrogen bondings, causing the decrement of α‐helical content (∼7%) and increment of β‐sheet content (∼11%) of lysozyme. The binding caused static quenching of the fluorescence, while the microenvironment of aromatic amino acid residues did not show any significant alteration. The lysozyme activity was affected by the increasing exposure of QDs, it was inhibited to 53.77% under a 6 × 10−7 M exposure compared with the control group. This work will provide direct evidence about enzyme toxicity of QDs to lysozyme in vitro.
Effect of intra‐cellular trafficking on flow cytometric measurement of neutrophil's oxidative status in iron deficient pregnant females
Authors: Youssef Soha R. , Hendawy Sherif F. , Boshnak Noha H. , Sedhom Mariana S.
Published: March 2017

Background

Iron deficiency and iron deficiency anemia are prevalent among pregnant women particularly in developing countries. This study aimed to evaluate the iron status among Egyptian pregnant women and its impact on their neutrophil's count and antimicrobial functions.

Method

Ninety pregnant females underwent complete blood count, iron profile, flow cytometric studies for neutrophil myeloperoxidase expression & oxidative burst using dihydrorhodamine 123 (DHR) after phorbol‐12‐myristate‐13‐acetate (PMA) stimulation as well as neutrophil phagocytic and lytic indices.

Results

According to percent saturation 54/90 women (60%) were iron deficient (<15% saturation) (cases) and 36/90 (40%) were iron sufficient (controls). A higher proportion of iron deficient pregnant women were in their third trimester compared to controls. No significant difference was found between the iron deficient & sufficient groups as regards anemia despite a positive correlation between haemoglobin level and percent saturation (P=.02). Both the phagocytic and lytic indices were significantly lower among the cases compared to controls (P=.014 & .002 respectively). Cases and controls were comparable as regards flow cytometric studies of neutrophils’ myeloperoxidase and oxidative burst (P>.05). No significant correlation was found between any of the iron profile parameters and the oxidative burst by flow cytometry.

Conclusion

Functional microphage assay (phagocytic and lytic indices) may be more relevant and cost effective than flow cytometry assays of myeloperoxidase and oxidative burst in reflecting either iron status or cellular immunity in pregnancy.
The relationship between the biovars and the antimicrobial resistance of Ureaplasma urealyticum in female patients with urogenital infections
Authors: Zhang Yan , Hua Chuan , Li Su‐li
Published: March 2017

Background

Ureaplasma urealyticum is considered as one of the main pathogens found in women with urogenital infection. This study aimed to investigate the relationship between the biovars, serovars, and their antimicrobial resistance against antibiotics in female patients with urogenital infection.

Methods

Two hundred and forty‐six cervical secretion samples (125 female outpatients as the patient group, 121 healthy female subjects as the control group) were first collected and analyzed for U. urealyticum using the Mycoplasma Identification and Antimicrobial Susceptibility Testing; then polymerase chain reaction (PCR) was carried out to identify the biovars and serovars of U. urealyticum‐positive samples.

Results

The prevalence of U. urealyticum in the patient group (57. 60%) was higher than that in the control group (24.79%, P<.01). The main biovar was biovar 1, and the main serovars were 1 (S1), 3 (S3), 6 (S6) in biovar 1. Mixed infection was observed in biovar 2. According to the results of Antimicrobial Susceptibility Testing in the patient group, biovar 1 shows more resistance to minocycline, doxycycline, and azithromycin than biovar 2 (P<.05). Serovars S1, S3 and S6 have the highest resistant rate to ofloxacin (84.38%), roxithromycin (84.62%), and azithromycin (90.90%), respectively.

Conclusions

A high prevalence of U. urealyticum was observed in female patients with urogenital infections. And the biovar 1 and the serovars 1, 3, 6 were the main types of pathogens.
Experience of Shame Mediates the Relationship Between Pathological Narcissism and Suicidal Ideation in Psychiatric Outpatients
Authors: Jaksic Nenad , Marcinko Darko , Skocic Hanzek Milena , Rebernjak Blaz , Ogrodniczuk John S.
Published: March 2017

Objective

Pathological narcissism, described by 2 dysfunctional phenotypic forms–grandiosity and vulnerability–has often been connected to suicidal tendencies in theoretical and clinical literatures. Furthermore, shame proneness has been implicated as a key mechanism that links these 2 constructs. However, empirical evidence for the presumed relationship between pathological narcissism and suicidal tendencies is sparse, and no prior research has investigated the role of shame proneness in this relationship. The objective of the present research was to investigate the complex relations among pathological narcissism, experience of shame, and suicidal ideation in psychiatric outpatients.

Method

A sample of 250 adult psychiatric outpatients (61% female; mean age 39.15 years) were assessed between January and May 2014. The participants filled out the Pathological Narcissism Inventory, the Experience of Shame Scale, and the Suicide Assessment Scale‐self‐rating.

Results

Narcissistic vulnerability was found to have unique positive associations with acute suicidal ideation, whereas narcissistic grandiosity exhibited substantially weaker relations with the same construct. Two dimensions of shame–characterological and bodily shame–mediated the relationship between narcissistic vulnerability and suicidal ideation. The mediating role of behavioral shame was not demonstrated.

Conclusions

Narcissistic vulnerability seems to be more strongly related to suicidal tendencies than narcissistic grandiosity, while experience of shame represents one of the underlying mechanisms of this relationship among psychiatric outpatients. The implications of these findings are discussed in relation to the role of pathological narcissism in the psychotherapeutic management of suicidality.
d‐Fructose Modification Enhanced Internalization of Mixed Micelles in Breast Cancer Cells via GLUT5 Transporters
Authors: Zhou Xu , Qin Xianyan , Gong Tao , Zhang Zhi‐Rong , Fu Yao
Published: March 2017

d‐Fructose modified poly(ε‐caprolactone)‐polyethylene glycol (PCL‐PEG‐Fru) diblock amphiphile is synthesized via Cu(I)‐catalyzed click chemistry, which self‐assembles with D‐α‐tocopheryl polyethylene glycol 1000 succinate (TPGS) into PCL‐PEG‐Fru/TPGS mixed micelles (PPF MM). It has been proven that glucose transporter (GLUT)5 is overexpressed in MCF‐7 cells other than L929 cells. In this study, PPF MM exhibit a significantly higher uptake efficiency than fructose‐free PCL‐PEG‐N3/TPGS mixed micelles in both 2D MCF‐7 cells and 3D tumor spheroids. Also, the presence of free d‐fructose competitively inhibits the internalization of PPF MM in MCF‐7 cells other than L929 cells. PPF MM show selective tumor accumulation in MCF‐7 breast tumor bearing mice xenografts. Taken together, PPF MM represent a promising nanoscale carrier system to achieve GLUT5‐mediated cell specific delivery in cancer therapy.

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Fast Self‐Healing of Polyelectrolyte Multilayer Nanocoating and Restoration of Super Oxygen Barrier
Authors: Song Yixuan , Meyers Kevin P. , Gerringer Joseph , Ramakrishnan Ramesh K. , Humood Mohammad , Qin Shuang , Polycarpou Andreas A. , Nazarenko Sergei , Grunlan Jaime C.
Published: March 2017

A self‐healable gas barrier nanocoating, which is fabricated by alternate deposition of polyethyleneimine (PEI) and polyacrylic acid (PAA) polyelectrolytes, is demonstrated in this study. This multilayer film, with high elastic modulus, high glass transition temperature, and small free volume, has been shown to be a super oxygen gas barrier. An 8‐bilayer PEI/PAA multilayer assembly (≈700 nm thick) exhibits an oxygen transmission rate (OTR) undetectable to commercial instrumentation (<0.005 cc (m−2 d−1 atm−1)). The barrier property of PEI/PAA nanocoating is lost after a moderate amount of stretching due to its rigidity, which is then completely restored after high humidity exposure, therefore achieving a healing efficiency of 100%. The OTR of the multilayer nanocoating remains below the detection limit after ten stretching‐healing cycles, which proves this healing process to be highly robust. The high oxygen barrier and self‐healing behavior of this polymer multilayer nanocoating makes it ideal for packaging (food, electronics, and pharmaceutical) and gas separation applications.

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The effects of electromyostimulation application timing on denervated skeletal muscle atrophy
Authors: Koh Eun Sil , Kim Hee Chan , Lim Jae‐Young
Published: March 2017

Introduction

In this study we evaluated the effect of electromyostimulation (EMS) on myosin heavy chain (MHC) isoform expression in denervated rat muscles to determine the optimal timing for EMS application.

Methods

EMS was initiated on post‐injury day 1 for the group with denervation receiving immediate EMS (DIEMS) and on post‐injury day 15 for the group with denervation receiving delayed EMS (DDEMS) in rat denervated muscles. Muscle wet weight and muscle fiber cross‐sectional area (FCSA) were measured. MHC isoforms were analyzed in both protein homogenates and single muscle fibers.

Results

The expression levels of IIx and IIb isoforms of MHC were significantly lower and higher, respectively, in the gastrocnemius muscles of the DIEMS group, but not the DDEMS group. The DIEMS group also showed larger FCSA and a lower proportion of hybrid single fibers compared with the DDEMS group.

Discussion

These results indicate that immediate EMS is more effective than delayed EMS for aiding recovery of denervation‐induced MHC changes. Muscle Nerve 56: E154–E161, 2017