bluuebunny/crossref_metadata_2025 huggingface dataset:
The clinical anatomy of the right ventricle
Authors: Muresian Horia
Published: November 2014

Because the systemic and pulmonary circulations are arranged in series, the right and left ventricles of the human heart have similar stroke volumes (with only minute beat‐to‐beat changes). Besides propelling the same volume of blood through the corresponding circulations, the two ventricles also share common structures such as the pericardium, the interventricular septum and the coronary arteries and veins—all of which complete the dynamic and integrated picture of the human heart. However, there are marked differences between the left and right ventricles as each is adapted to separate and dissimilar vascular beds, including particular reactivity to stress, hormones, and drugs. Of the two, the right ventricle (RV) has so far been either more difficult to approach from the diagnostic point of view or even overlooked, while the left ventricle (LV) has been considered the main pump, and diagnostic and therapeutic measures have been considered to apply equally to the LV and RV. This review article presents an update, portraying the RV from the clinical anatomical point of view, and endeavors to underscore the main particulars of the RV with clinical and surgical applications. Clin. Anat. 29:380–398, 2016. © 2014 Wiley Periodicals, Inc.
Detailed Structure–Function Correlations of Bacillus subtilis Acetolactate Synthase
Authors: Sommer Bettina , von Moeller Holger , Haack Martina , Qoura Farah , Langner Clemens , Bourenkov Gleb , Garbe Daniel , Loll Bernhard , Brück Thomas
Published: November 2014

Isobutanol is deemed to be a next‐generation biofuel and a renewable platform chemical.1 Non‐natural biosynthetic pathways for isobutanol production have been implemented in cell‐based and in vitro systems with Bacillus subtilis acetolactate synthase (AlsS) as key biocatalyst.2–6 AlsS catalyzes the condensation of two pyruvate molecules to acetolactate with thiamine diphosphate and Mg2+ as cofactors. AlsS also catalyzes the conversion of 2‐ketoisovalerate into isobutyraldehyde, the immediate precursor of isobutanol. Our phylogenetic analysis suggests that the ALS enzyme family forms a distinct subgroup of ThDP‐dependent enzymes. To unravel catalytically relevant structure‐function relationships, we solved the AlsS crystal structure at 2.3 Å in the presence of ThDP, Mg2+ and in a transition state with a 2‐lactyl moiety bound to ThDP. We supplemented our structural data by point mutations in the active site to identify catalytically important residues.
Particle Size Measurement of Metallic Iron in Reduced Materials Based on Optical Image Analysis
Authors: Sun Yongsheng , Han Yuexin , Gao Peng , Mu Yufan
Published: November 2014

The size of metallic iron particles in coal‐based reduced materials was measured by optical image analysis in three different reduced samples. The obtained data were analyzed by frequency and cumulative distribution. The results reveal that optical image analysis successfully measured the particle size of metallic iron in the reduced samples. The frequency distribution curves or cumulative passing percentage of metallic iron particles exhibit almost the same trend with respect to particle size. The quality of curve fitting indicates that the exponential decay function and Rosin‐Rammler equation represent well experimental data on frequency distribution and cumulative passing percentage, respectively.
Replacement of CH4 in Hydrate in Porous Sediments with Liquid CO2 Injection
Authors: Zhang Yu , Xiong Li‐Jun , Li Xiao‐Sen , Chen Zhao‐Yang , Xu Chun‐Gang
Published: November 2014

The dynamics of the replacement of CH4 in hydrate in porous sediments with liquid CO2 was investigated using a self‐developed experimental apparatus at different temperatures and initial pressures. The pressure increases steadily as the replacement reaction processes. The amount of the replaced CH4 is almost the same as that of the CO2 forming hydrate in the early stage and gradually becomes somewhat less in the later stage. The initial pressure has minor effects on the replacement rate, and temperature reduction causes a lower replacement rate. The experimental results suggest that the replacement rate is not related to the region of the temperature‐pressure conditions but is mainly affected by the fugacity differences of CH4 hydrate decomposition and CO2 hydrate formation.
Rare‐Earth‐Metal Methyl, Amide, and Imide Complexes Supported by a Superbulky Scorpionate Ligand
Authors: Schädle Dorothea , Maichle‐Mössmer Cäcilia , Schädle Christoph , Anwander Reiner
Published: November 2014

The reaction of monomeric [(TptBu,Me)LuMe2] (TptBu,Me=tris(3‐Me‐5‐tBu‐pyrazolyl)borate) with primary aliphatic amines H2NR (R=tBu, Ad=adamantyl) led to lutetium methyl primary amide complexes [(TptBu,Me)LuMe(NHR)], the solid‐state structures of which were determined by XRD analyses. The mixed methyl/tetramethylaluminate compounds [(TptBu,Me)LnMe({μ2‐Me}AlMe3)] (Ln=Y, Ho) reacted selectively and in high yield with H2NR, according to methane elimination, to afford heterobimetallic complexes: [(TptBu,Me)Ln({μ2‐Me}AlMe2)(μ2‐NR)] (Ln=Y, Ho). X‐ray structure analyses revealed that the monomeric alkylaluminum‐supported imide complexes were isostructural, featuring bridging methyl and imido ligands. Deeper insight into the fluxional behavior in solution was gained by 1H and 13C NMR spectroscopic studies at variable temperatures and 1H–89Y HSQC NMR spectroscopy. Treatment of [(TptBu,Me)LnMe(AlMe4)] with H2NtBu gave dimethyl compounds [(TptBu,Me)LnMe2] as minor side products for the mid‐sized metals yttrium and holmium and in high yield for the smaller lutetium. Preparative‐scale amounts of complexes [(TptBu,Me)LnMe2] (Ln=Y, Ho, Lu) were made accessible through aluminate cleavage of [(TptBu,Me)LnMe(AlMe4)] with N,N,N′,N′‐tetramethylethylenediamine (tmeda). The solid‐state structures of [(TptBu,Me)HoMe(AlMe4)] and [(TptBu,Me)HoMe2] were analyzed by XRD.
Structures and Unexpected Dynamic Properties of Phosphine Oxides Adsorbed on Silica Surfaces
Authors: Hilliard Casie R. , Kharel Sugam , Cluff Kyle J. , Bhuvanesh Nattamai , Gladysz John A. , Blümel Janet
Published: November 2014

Solid‐state NMR spectroscopy of selected phosphine oxides adsorbed on silica surfaces establishes the surface mobilities, even of phosphine oxides with high melting points. Crystal structures of the adducts Ph3PO⋅HOSiPh3 and Cy3PO⋅H2O indicate that the interactions with silica involve hydrogen bonding of the PO group to adsorbed water and surface silanol groups.
Triple Emission from p‐Dimethylaminobenzonitrile–Cucurbit[8]uril Triggers the Elusive Excimer Emission
Authors: Sayed Mhejabeen , Biedermann Frank , Uzunova Vanya D. , Assaf Khaleel I. , Bhasikuttan Achikanath C. , Pal Haridas , Nau Werner M. , Mohanty Jyotirmayee
Published: November 2014

The intriguing dual‐emission behavior of p‐ dimethylaminobenzonitrile (DMABN) and the identity of the associated excited states is, arguably, the most extensively investigated and also controversially discussed molecule‐ specific phenomenon of modern photochemistry. We have now found a new, third fluorescence band when DMABN is encapsulated within the water‐soluble molecular container cucurbit[8]uril (CB8). It is centered between the previously observed emissions and assigned to the elusive excimer emission from DMABN through 1:2 CB8:DMABN complex formation. Heating of the CB8⋅(DMABN)2 complex from 0 to 100 °C results in the dissociation of the ternary complex and restoration of the dual‐emission properties of the monomer. Alternatively, monomer emission can be obtained by selecting cucurbit[7]uril (CB7), a host homologue that is too small to accommodate two DMABN molecules, or by introducing ethyl instead of methyl groups at the amino terminus of the aminobenzonitrile guest.
Asymmetric Hydrogenation of Furans and Benzofurans with Iridium–Pyridine–Phosphinite Catalysts
Authors: Pauli Larissa , Tannert René , Scheil Robin , Pfaltz Andreas
Published: November 2014

Enantioselective hydrogenation of furans and benzofurans remains a challenging task. We report the hydrogenation of 2‐ and 3‐substituted furans by using iridium catalysts that bear bicyclic pyridine–phosphinite ligands. Excellent enantioselectivities and high conversions were obtained for monosubstituted furans with a 3‐alkyl or 3‐aryl group. Furans substituted at the 2‐position and 2,4‐disubstituted furans proved to be more difficult substrates. The best results (80–97 % conversion, 65–82 % enantiomeric excess) were obtained with monosubstituted 2‐alkylfurans and 2‐[4‐(trifluoromethyl)phenyl]furan. Benzofurans with an alkyl substituent at the 2‐ or 3‐position also gave high conversions and enantioselectivity, whereas 2‐aryl derivatives showed essentially no reactivity. The asymmetric hydrogenation of a 3‐methylbenzofuran derivative was used as a key step in the formal total synthesis of the cytotoxic naphthoquinone natural product (−)‐thespesone.
Multicolored‐Fluorescence Switching of ICT‐Type Organic Solids with Clear Color Difference: Mechanically Controlled Excited State
Authors: Zhang Yujian , Wang Kai , Zhuang Guilin , Xie Zengqi , Zhang Cheng , Cao Feng , Pan Guoxiang , Chen Haifeng , Zou Bo , Ma Yuguang
Published: November 2014

A donor–acceptor‐type fluorophore containing a twisted diphenylacrylonitrile and triphenylamine has been developed by using the Suzuki reaction. The system indicates typical intramolecular charge‐transfer properties. Upon mechanical grinding or hydrostatic pressure, the fluorophore reveals a multicolored fluorescence switching. Interestingly, a fluorescence color transition from green to red was clearly observed, and the change of photoluminescent (PL) wavelength gets close to 111 nm. The mechanisms of high‐contrast mechanochromic behavior are fully investigated by techniques including powder XRD, PL lifetime, high‐pressure PL lifetime, and Raman spectra analysis. The tremendous PL wavelength shift is attributed to gradual transition of excited states from the local excited state to the charge‐transfer state.
Reactivity of a Stable Phosphinonitrene towards Small Molecules
Authors: Dielmann Fabian , Bertrand Guy
Published: November 2014

The room‐temperature stable phosphinonitrene 1 undergoes a thermal rearrangement into heterocycle 2 through a process involving a nitrene insertion into a CH bond. In the presence of acetonitrile, a nitrene–acetonitrile adduct has been isolated; then it first rearranges into a ketenimine and subsequently into a rare example of diazaphosphete. Compound 1 also splits water, carbon dioxide, carbon disulfide, and elemental sulfur, although it reacts with white phosphorus, leading to a P5N cluster formally resulting from the insertion of the PN moiety into a PP edge of the P4 tetrahedron.
Multiscale Chemical Process Design Exemplified for a PEM Fuel Cell Process
Authors: Karst Florian , Freund Hannsjörg , Maestri Matteo , Sundmacher Kai
Published: November 2014

To maximize the utilization of limited energy and material resources, a new design methodology for chemical processes is proposed based on a multiscale optimization approach. The different levels of the process hierarchy are presented and design aspects are discussed. The methodology is further exemplified by considering a methane steam reforming process for operation of a proton exchange membrane fuel cell (PEMFC) in an automotive application. The method delivers an optimal technically feasible process based on an integrated steam reforming reactor, operated in autothermal mode.
Development of a modelling tool representing biomass gasification step in a dual fluidized bed
Authors: Noubli Halima , Valin Sylvie , Spindler Bertrand , Hemati Mehrdji
Published: November 2014

The aim of the present study is to develop a 1D modelling tool representing biomass gasification in a dual fluidized bed. This tool should be used with the objective to control and scale‐up the process for different pilot scales and operating conditions. This implies that the modelling tool should be based on a phenomenological description but also that the calculations are not too much time‐consuming. A one‐dimensional steady state model was thus developed for the gasification reactor, combining a description of the biomass thermochemical conversion phenomena and of the hydrodynamic behaviour of the fluidized bed. The reactor is divided into two zones, namely, dense zone and freeboard zone. For the dense zone, the model assumes the existence of two phases –bubble and emulsion– with chemical reactions occurring in both phases (biomass devolatilization, char gasification, water‐gas shift). In the freeboard, a plug flow is assumed and the only reaction considered is water‐gas shift. Mass balance is globally solved across the entire gasifier. The model allows calculating axial concentrations of the gas species in the reactor as well as the global yields. The parameters of the calculations are temperature of the gasifier, biomass composition, biomass and steam feeding rates.
Water and nutrients recovering from livestock manure by membrane processes
Authors: Carretier Séverine , Lesage Geoffroy , Grasmick Alain , Heran Marc
Published: November 2014

Anaerobic digestion (AD) in a biogas plant is a well proven process in which livestock effluents break down naturally in the absence of oxygen to produce two valuable products: biogas and digestate. Three successive steps of membrane separation (UF, NF, RO) were carried out on digestate liquid fractions in order to recover molecules of interest and fresh water. Results demonstrate the capacity of a 300 kD filtration cut‐off to clarify and disinfect anaerobic digestion liquid phase, no suspended solids were detected in the permeate while more than 80 % of organic matters were removed. This clarification step allowed the use of downstream desalinating steps (NF, RO and NF/RO) which contribute to the achievement of fresh water production and ionic compounds of interest (phosphates, ammonium, potassium, magnesium…) concentration. NF and RO step allowed a total discoloration of treated water with a high removal of dissolved organic matter DOM (more than 90 %). The ion retention depends on the considered ion and the origin and composition of UF digestate. Nevertheless, a direct use of High Pressure Reverse Osmosis HPRO downstream UF step allowed an important retention of ions whatever the origin of digestate. The addition of RO downstream the NF step (NF/RO), increased the total salt rejection opening the door to a water reuse on site. The fresh water quality and the RO flux were higher for UF/NF/RO than UF/RO proving the interest for such a UF/NF/RO coupling.
Water‐soluble polymers for oil sands tailing treatment: A Review
Authors: Vedoy Diógenes R. L. , Soares João B. P.
Published: November 2014

Efficient dewatering of oil sands tailings is imperative to reduce the environmental footprint of oil sands operators. Currently there is no mature technology capable of effectively treating oil sands tailings and completely eliminating the use of tailings ponds. Consolidated tailings and paste technology are the most extensively used dewatering methods. However, the high concentrations of divalent ions in the water recovered using the consolidated tailings process impedes the re‐utilization of this water in the bitumen extraction process. Accumulation of ions does not occur in the case of paste technology; however, this technology, similarly to the consolidated tailings process, recovers only part of the water from tailings and produces high‐water content sediments (25–30 wt. % solids) that sill requires special storage. This happens because the sediments produced by polyacrylamide (PAM) flocculants are not closely packed and require the application of other consolidation technologies (e.g., freeze‐thaw, filtration, centrifugation) to obtain dry and self‐supportive tailings. This review focuses on examining alternative flocculants that could potentially replace PAM polymers in mature and new dewatering technologies. Flocculants are a key element of many tailing treatments including paste technology and filtration. The “ideal” flocculant would increase the ability of these technologies to dewater tailings, resulting in higher water recovery and sediment consolidation without affecting water chemistry or increasing operational costs. This review presents a comparison between PAM flocculants and two promising alternative flocculants: inorganic‐organic hybrid and temperature‐sensitive polymers. Each flocculant type is evaluated in terms of its flocculation mechanisms and its dewatering efficacy.
The Development of Zn–Ce Hybrid Redox Flow Batteries for Energy Storage and Their Continuing Challenges
Authors: Walsh Frank C. , Ponce de Léon Carlos , Berlouis Len , Nikiforidis George , Arenas‐Martínez Luis F. , Hodgson David , Hall David
Published: November 2014

The Zn–Ce flow battery is a recently introduced hybrid redox flow battery (RFB) but has been extensively studied in the laboratory and at the industrial pilot scale since its introduction in 2005. The cell has the highest open‐circuit cell potentials amongst aqueous RFBs, which can exceed 2.4 V at full charge. Although original patents were filed in 2004 and 2005, the history of the half‐cell reactions stretches back many decades, with the CeIV/CeIII redox couple being well studied in sulfuric acid as a redox mediator in organic electrosynthesis or in nitric acid for specialist cleaning in the chemical and nuclear industries; in addition, zinc deposition and stripping in acid media are well known in hydrometallurgy and electroplating of metals as well as in other secondary batteries using zinc negative electrodes. Methanesulfonic acid electrolytes were introduced in surface finishing several decades ago but their use in flow batteries is only 20 years old. This Review considers the thermodynamics and kinetics of the electrode reactions (desired and secondary) in each half‐cell, operational variables, materials for cell components, cell design and performance of the zinc–cerium flow battery. Continuing challenges are highlighted and critical research needs for the science and technological development are considered.
Influence of hyporheic exchange, substrate distribution, and other physically linked hydrogeomorphic characteristics on abundance of freshwater mussels
Authors: Klos P. Zion , Rosenberry Donald O. , Nelson Glenn R.
Published: November 2014

Both endangered and non‐endangered unionid mussels are heterogeneously distributed within the Allegheny River, Pennsylvania. Mussel populations vary from high to low density downstream of Kinzua Dam, and the direction, amount, and range of hyporheic exchange (seepage) at the sediment–water interface were suspected to influence their distribution and abundance. Nineteen hydrogeomorphic variables, including the quantification of seepage metrics, substrate size, river stage, river discharge, and shear stress, were measured at five reaches on the Allegheny River within 80 km downstream of Kinzua Dam. Analysis revealed significant (α = 0·05) non‐linear correlations between mussel population density and directional mean seepage (positive relationship), river width (positive relationship), and median substrate size (negative relationship). Specifically, seepage findings showed that increases in upward seepage and decreases in the overall range of seepage related to increases in mussel population density. River width, directional mean seepage, and median substrate size were also found to co‐vary with marginal significance (α = 0·1), making their individual influences on mussel population density uncertain. Absolute mean seepage, water depth, hydraulic head, temperature differences between the surface water and substrate, and other substrate metrics besides median grain size were not found to significantly correlate to mussel population density. Considering the physical processes often linking seepage to other explanatory variables, future research in seepage–mussel relationships should work to isolate the mechanistic influence of hyporheic exchange independently from its common covariation with substrate size and geomorphology. Copyright © 2014 John Wiley & Sons, Ltd.
T‐cell STAT3 is required for the maintenance of humoral immunity to LCMV
Authors: McIlwain David R. , Grusdat Melanie , Pozdeev Vitaly I. , Xu Haifeng C. , Shinde Prashant , Reardon Colin , Hao Zhenyue , Beyer Marc , Bergthaler Andreas , Häussinger Dieter , Nolan Garry P. , Lang Karl S. , Lang Philipp A.
Published: November 2014

STAT3 is a critical transcription factor activated downstream of cytokine signaling and is integral for the function of multiple immune cell types. Human mutations in STAT3 cause primary immunodeficiency resulting in impaired control of a variety of infections, including reactivation of latent viruses. In this study, we investigate how T‐cell functions of STAT3 contribute to responses to viral infection by inducing chronic lymphocytic choriomeningitis virus (LCMV) infection in mice lacking STAT3 specifically in T cells. Although mice with conditional disruption of STAT3 in T cells were able to mount early responses to viral infection similar to control animals, including expansion of effector T cells, we found generation of T‐follicular helper (Tfh) cells to be impaired. As a result, STAT3 T cell deficient mice produced attenuated germinal center reactions, and did not accumulate bone marrow virus specific IgG‐secreting cells, resulting in failure to maintain levels of virus‐specific IgG or mount neutralizing responses to LCMV in the serum. These effects were associated with reduced control of viral replication and prolonged infection. Our results demonstrate the importance of STAT3 in T cells for the generation of functional long‐term humoral immunity to viral infections.
Evaluation of the combination of a dispersive liquid–liquid microextraction method with micellar electrokinetic chromatography coupled to mass spectrometry for the determination of estrogenic compounds in milk and yogurt
Authors: D'Orazio Giovanni , Asensio‐Ramos María , Hernández‐Borges Javier , Rodríguez‐Delgado Miguel Ángel , Fanali Salvatore
Published: November 2014

In this work, the suitability of a methodology based on dispersive liquid–liquid microextraction (DLLME) has been evaluated for the extraction of four endoestrogens (estriol, 17α‐estradiol, 17β‐estradiol, and estrone), an exoestrogen (17α‐etynylestradiol), and a mycotoxin (zearalenone), together with some of their major metabolites (2‐methoxyestradiol, α‐zearalanol, β‐zearalanol, α‐zearalenol, and β‐zearalenol) from different types of milk (whole and skimmed cow milk and semiskimmed goat milk) and whole natural yogurt. The methodology includes a previous protein precipitation with acidified ACN and a defatting step with n‐hexane. Separation of the analytes, determination, and quantification were developed by MEKC coupled to ESI‐MS using a BGE containing an aqueous solution of ammonium perfluorooctanoate as MS friendly surfactant. Calibration, precision, and accuracy studies of the described DLLME‐MEKC‐MS/MS method were evaluated obtaining a good linearity and LODs in the low micrograms per liter range.
Arachidonic acid enhances reproduction in Daphnia magna and mitigates changes in sex ratios induced by pyriproxyfen
Authors: Ginjupalli Gautam K. , Gerard Patrick D. , Baldwin William S.
Published: November 2014

Arachidonic acid is 1 of only 2 unsaturated fatty acids retained in the ovaries of crustaceans and an inhibitor of HR97g, a nuclear receptor expressed in adult ovaries. The authors hypothesized that, as a key fatty acid, arachidonic acid may be associated with reproduction and potentially environmental sex determination in Daphnia. Reproduction assays with arachidonic acid indicate that it alters female:male sex ratios by increasing female production. This reproductive effect only occurred during a restricted Pseudokirchneriella subcapitata diet. Next, the authors tested whether enriching a poorer algal diet (Chlorella vulgaris) with arachidonic acid enhances overall reproduction and sex ratios. Arachidonic acid enrichment of a C. vulgaris diet also enhances fecundity at 1.0 µM and 4.0 µM by 30% to 40% in the presence and absence of pyriproxyfen. This indicates that arachidonic acid is crucial in reproduction regardless of environmental sex determination. Furthermore, the data indicate that P. subcapitata may provide a threshold concentration of arachidonic acid needed for reproduction. Diet-switch experiments from P. subcapitata to C. vulgaris mitigate some, but not all, of arachidonic acid's effects when compared with a C. vulgaris–only diet, suggesting that some arachidonic acid provided by P. subcapitata is retained. In summary, arachidonic acid supplementation increases reproduction and represses pyriproxyfen-induced environmental sex determination in D. magna in restricted diets. A diet rich in arachidonic acid may provide protection from some reproductive toxicants such as the juvenile hormone agonist pyriproxyfen. Environ Toxicol Chem 2015;34:527–535. © 2014 SETAC
Automated method for determination of dissolved organic carbon–water distribution constants of structurally diverse pollutants using pre-equilibrium solid-phase microextraction
Authors: Ripszam Matyas , Haglund Peter
Published: November 2014

Dissolved organic carbon (DOC) plays a key role in determining the environmental fate of semivolatile organic environmental contaminants. The goal of the present study was to develop a method using commercially available hardware to rapidly characterize the sorption properties of DOC in water samples. The resulting method uses negligible-depletion direct immersion solid-phase microextraction (SPME) and gas chromatography–mass spectrometry. Its performance was evaluated using Nordic reference fulvic acid and 40 priority environmental contaminants that cover a wide range of physicochemical properties. Two SPME fibers had to be used to cope with the span of properties, 1 coated with polydimethylsiloxane and 1 coated with polystyrene divinylbenzene polydimethylsiloxane, for nonpolar and semipolar contaminants, respectively. The measured DOC–water distribution constants showed reasonably good reproducibility (standard deviation ≤ 0.32) and good correlation (R2 = 0.80) with log octanol–water partition coefficients for nonpolar persistent organic pollutants. The sample pretreatment is limited to filtration, and the method is easy to adjust to different DOC concentrations. These experiments also utilized the latest SPME automation that largely decreases total cycle time (to 20 min or shorter) and increases sample throughput, which is advantageous in cases when many samples of DOC must be characterized or when the determinations must be performed quickly, for example, to avoid precipitation, aggregation, and other changes of DOC structure and properties. The data generated by this method are valuable as a basis for transport and fate modeling studies. Environ Toxicol Chem 2014;9999:1–9. © 2014 SETAC
Hierarchical Bayesian Model for Rare Variant Association Analysis Integrating Genotype Uncertainty in Human Sequence Data
Authors: He Liang , Pitkäniemi Janne , Sarin Antti‐Pekka , Salomaa Veikko , Sillanpää Mikko J. , Ripatti Samuli
Published: November 2014

Next‐generation sequencing (NGS) has led to the study of rare genetic variants, which possibly explain the missing heritability for complex diseases. Most existing methods for rare variant (RV) association detection do not account for the common presence of sequencing errors in NGS data. The errors can largely affect the power and perturb the accuracy of association tests due to rare observations of minor alleles. We developed a hierarchical Bayesian approach to estimate the association between RVs and complex diseases. Our integrated framework combines the misclassification probability with shrinkage‐based Bayesian variable selection. It allows for flexibility in handling neutral and protective RVs with measurement error, and is robust enough for detecting causal RVs with a wide spectrum of minor allele frequency (MAF). Imputation uncertainty and MAF are incorporated into the integrated framework to achieve the optimal statistical power. We demonstrate that sequencing error does significantly affect the findings, and our proposed model can take advantage of it to improve statistical power in both simulated and real data. We further show that our model outperforms existing methods, such as sequence kernel association test (SKAT). Finally, we illustrate the behavior of the proposed method using a Finnish low‐density lipoprotein cholesterol study, and show that it identifies an RV known as FH North Karelia inLDLRgene with three carriers in 1,155 individuals, which is missed by both SKAT and Granvil.
Stabilization of iron arsenate solids by encapsulation with aluminum hydroxyl gels
Authors: Leetmaa Karl , Guo Fuqiang , Becze Levente , Gomez Mario A , Demopoulos George P
Published: November 2014

BACKGROUND

Ferric arsenate solids in the form of scorodite (FeAsO4·2H2O) particles are suitable carriers for immobilization of arsenic‐rich wastes. The stability of scorodite is, however, highly pH dependent (typically at 4≤ pH ≤7) and satisfactory only under oxic disposal conditions. In this work a new stabilization technology based on the concept of encapsulation with aluminum hydroxyl gels is investigated to enhance the stability of arsenical solids over a wider range of disposal conditions.

RESULTS

The encapsulation system investigated involves blending and short‐term ageing of synthetic scorodite particles with amorphous aluminum hydroxyl gels derived from partial hydrolysis of aluminum chloride or aluminum sulfate salts. Of the two gel types, the Al(SO4)1.5‐derived gel proved to be the most effective, even at the very low Al(III)/As(V) molar ratio of 0.1, apparently due to in situ development of protective aluminum hydroxide matrix and not as a simple adsorption sink for soluble arsenate species.

CONCLUSION

Arsenic release from the scorodite–aluminum hydroxyl gel composites was found to be drastically reduced with respect to gel‐free scorodite, making this system a very interesting candidate for further development as an effective hazardous material encapsulating material. © 2014 Society of Chemical Industry
Cyclostationary noise modeling of radio frequency devices
Authors: Bonani F. , Guerrieri S. Donati , Ghione G.
Published: November 2014

We present a review of the current status of research in the modeling and simulation of cyclostationary (nonlinear) noise properties of semiconductor active devices operated in forced large‐signal conditions, a typical operating regime for high‐frequency applications. We discuss both the case of physics‐based device simulations, where numerical burden is the most important issue, and the derivation of compact cyclostationary noise models. In the latter case, both phenomenological amplitude modulation approaches and the derivation of consistent analytical device descriptions are discussed. We show examples of both physics‐based simulations of the noise properties of a realistic high‐electron mobility transistor resistive mixer and show for the first time the application of a novel, fully analytical cyclostationary noise bipolar transistor model. Copyright © 2014 John Wiley & Sons, Ltd.
Prozessmodell zum Einbringen von Eigenspannungen durch Festwalzen
Authors: Maierhofer J. , Gänser H.‐P. , Pippan R.
Published: November 2014

Defekte an Wellen führen zu einer deutlichen Reduktion der Lebensdauer. Festwalzen bietet eine einfache Möglichkeit, Risswachstum an Defekten zu verlangsamen oder überhaupt zu verhindern, vorausgesetzt die Fehlergröße überschreitet nicht die Einflusszone der eingebrachten Druckeigenspannungen. Im Rahmen dieser Arbeit wird ein einfaches Prozessmodell vorgestellt, um die Eindringtiefe durch Festwalzen eingebrachter Druckeigenspannungen abzuschätzen.
MRI quantification of non‐Gaussian water diffusion in normal human kidney: a diffusional kurtosis imaging study
Authors: Huang Yanqi , Chen Xin , Zhang Zhongping , Yan Lifen , Pan Dan , Liang Changhong , Liu Zaiyi
Published: November 2014

Our aim was to prospectively evaluate the feasibility of diffusional kurtosis imaging (DKI) in normal human kidney and to report preliminary DKI measurements. Institutional review board approval and informed consent were obtained. Forty‐two healthy volunteers underwent diffusion‐weighted imaging (DWI) scans with a 3‐T MR scanner. b values of 0, 500 and 1000 s/mm2 were adopted. Maps of fractional anisotropy (FA), mean diffusivity (MD), radial diffusivity (D⊥), axial diffusivity (D||), mean kurtosis (MK), radial kurtosis (K⊥) and axial kurtosis (K||) were produced. Three representative axial slices in the upper pole, mid‐zone and lower pole were selected in the left and right kidney. On each selected slice, three regions of interest were drawn on the renal cortex and another three on the medulla. Statistical comparison was performed with t‐test and analysis of variance. Thirty‐seven volunteers successfully completed the scans. No statistically significant differences were observed between the left and right kidney for all metrics (p values in the cortex: FA, 0.114; MD, 0.531; D⊥, 0.576; D||, 0.691; MK, 0.934; K⊥, 0.722; K||, 0.891; p values in the medulla: FA, 0.348; MD, 0.732; D⊥, 0.470; D||, 0.289; MK, 0.959; K⊥, 0.780; K||, 0.287). Kurtosis metrics (MK, K||, K⊥) obtained in the renal medulla were significantly (p <0.001) higher than those in the cortex (0.552 ± 0.04, 0.637 ± 0.07 and 0.530 ± 0.08 in the medulla and 0.373 ± 0.04, 0.492 ± 0.06 and 0.295 ± 0.06 in the cortex, respectively). For the diffusivity measures, FA of the medulla (0.356 ± 0.03) was higher than that of the cortex (0.179 ± 0.03), whereas MD, D⊥ and D|| (mm2/ms) were lower in the medulla than in the cortex (3.88 ± 0.09, 3.50 ± 0.23 and 4.65 ± 0.29 in the cortex and 2.88 ± 0.11, 2.32 ± 0.20 and 3.47 ± 0.31 in the medulla, respectively). Our results indicate that DKI is feasible in the human kidney. We have reported the preliminary DKI measurements of normal human kidney that demonstrate well the non‐Gaussian behavior of water diffusion, especially in the renal medulla. Copyright © 2014 John Wiley & Sons, Ltd.
Impact of abuse‐deterrent OxyContin on prescription opioid utilization
Authors: Hwang Catherine S. , Chang Hsien‐Yen , Alexander G. Caleb
Published: November 2014

Purpose

We quantified the degree to which the August 2010 reformulation of abuse‐deterrent OxyContin affected its use, as well as the use of alternative extended‐release and immediate‐release opioids.

Methods

We used the IMS Health National Prescription Audit, a nationally representative source of prescription activity in the USA, to conduct a segmented time‐series analysis of the use of OxyContin and other prescription opioids. Our primary time period of interest was 12 months prior to and following August 2010. We performed model checks and sensitivity analyses, such as adjusting for marketing and promotion, using alternative lag periods, and adding extra observation points.

Results

OxyContin sales were similar before and after the August 2010 reformulation, with approximately 550 000 monthly prescriptions. After adjusting for declines in the generic extended‐release oxycodone market, the formulation change was associated with a reduction of approximately 18 000 OxyContin prescription sales per month (p = 0.02). This decline corresponded to a change in the annual growth rate of OxyContin use, from 4.9% prior to the reformulation to −23.8% during the year after the reformulation. There were no statistically significant changes associated with the sales of alternative extended‐release (p = 0.42) or immediate‐release (p = 0.70) opioids. Multiple sensitivity analyses supported these findings and their substantive interpretation.

Conclusions

The market debut of abuse‐deterrent OxyContin was associated with declines in its use after accounting for the simultaneous contraction of the generic extended‐release oxycodone market. Further scrutiny into the effect of abuse‐deterrent formulations on medication use and health outcomes is vital given their popularity in opioid drug development. Copyright © 2014 John Wiley & Sons, Ltd.
Controlled synthesis of poly(neopentyl p‐styrene sulfonate) via reversible addition‐fragmentation chain transfer polymerisation
Authors: Fraga Domínguez Isabel , Kolomanska Joanna , Johnston Priscilla , Rivaton Agnès , Topham Paul D
Published: November 2014

The controlled synthesis of poly(neopentyl p‐styrene sulfonate) (PNSS) using reversible addition‐fragmentation chain transfer polymerisation has been studied under a wide range of experimental conditions. PNSS can be used as an organic‐soluble, thermally labile precursor for industrially valuable poly(p‐styrene sulfonate), widely employed in technologies such as ionic exchange membranes and organic electronics. The suitability of two different chain transfer agents, three solvents, three different monomer concentrations and two different temperatures for the polymerisation of neopentyl p‐styrene sulfonate is discussed in terms of the kinetics of the process and characteristics of the final polymer. Production of PNSS with systematically variable molecular weights and low dispersities (Đ ≤ 1.50 in all cases) has been achieved using 2‐azidoethyl 2‐(dodecylthiocarbonothioylthio)‐2‐methylpropionate in anisole at 75 °C, with an initial monomer concentration of 4.0 mol L−1. Finally, a poly(neopentyl p‐styrene sulfonate)‐b‐polybutadiene‐b‐poly(neopentyl p‐styrene sulfonate) (PNSS‐b‐PBD‐b‐PNSS) triblock copolymer has been synthesised via azide‐alkyne click chemistry. Moreover, subsequent thermolysis of the PNSS moieties generated poly(p‐styrene sulfonate) end blocks. This strategy allows the fabrication of amphiphilic copolymer films from single organic solvents without the need for post‐deposition chemical treatment. © 2014 Society of Chemical Industry
CHILD MALTREATMENT AND THE SCHOOL PSYCHOLOGIST
Authors: Viezel Kathleen D. , Davis Andrew S.
Published: November 2014

Child maltreatment remains a relevant issue for school psychologists. This special issue was designed to provide school psychology practitioners, researchers, and other school personnel with current, empirically sound information about child maltreatment. This introduction provides context for the articles in this volume, including definitions of maltreatment and a discussion about the roles school psychologists can play in prevention and intervention strategies. A brief overview of each article is presented; topics selected for this special issue include maltreatment of individuals with disabilities, the educational outcomes for students who have been maltreated, school‐based prevention programs, the reporting behavior of school psychologists, the neuropsychology of child maltreatment, and the cognitive abilities of maltreated children.
SCHOOL‐BASED CHILD ABUSE PREVENTION PROGRAMS
Authors: Brassard Marla R. , Fiorvanti Christina M.
Published: November 2014

Child abuse is a leading cause of emotional, behavioral, and health problems across the lifespan. It is also preventable. School‐based abuse prevention programs for early childhood and elementary school children have been found to be effective in increasing student knowledge and protective behaviors. The purpose of this article is to help school psychologists understand the potential positive impact of abuse prevention programs in their school, choose a high‐quality program for their population, and be aware of the practical considerations of implementation.
Photosynthetic reaction centre/carbon nanotube bundle composites
Authors: Nagy László , Hajdu Kata , Torma Szabolcs , Csikós Sándor , Szabó Tibor , Magyar Melinda , Fejes Dóra , Hernádi Klára , Kellermayer Miklós , Horváth Endre , Magrez Arnaud , Forró László
Published: November 2014

Since their discovery, carbon nanotubes (CNTs) have attracted intense attention to broad range of potential applications. In contrast to the 1D isolated single‐walled carbon nanotubes (SWCNT), 2D films or bundles made of thousands of tubes have been introduced as more advantageous building blocks for new types of applications in mechanically flexible and stretchable, optically transparent electronic systems. In our experiments, we combined photosynthetic reaction centre proteins, the light energy converter units in living cells, purified from purple bacteria, with multiwalled carbon nanotube (MWCNT) bundles. The change in the conductivity of the bare MWCNT bundles and the RC/MWCNT composite after light excitation was measured and compared. We found that the electrical conductivity under light excitation depends on the intrinsic conductivity of individual tubes within the bundles and on structural characteristics, like geometry (diameter, length, spatial arrangement, interconnects, etc.) and the electronic coupling with the RCs.
Electron transport in the plasmonic regime: Silver nanoparticles in ZnO matrix
Authors: Ghosh D. , Ghosh B. , Bhunia R. , Das S. , Hussain S. , Bhar R. , Pal A. K.
Published: November 2014

Silver nanoparticles were embedded in zinc oxide matrix by using sputtering‐cum‐evaporation technique. Particle size and metal volume fraction were tailored by varying the amount of silver in the Al–ZnO matrix. Strong surface plasmon resonance peak in the optical absorbance spectra was observed at ∼500 nm. Electrical conductivity was measured in the temperature range of 80–220 K when illuminated at 500 nm, and in dark to explain the observed transport processes associated with this material.
Ab initio calculation of the electronic structure of the strontium hydride ion (SrH+)
Authors: Habli Héla , Mejrissi Leila , Issaoui Noureddine , Yaghmour Saud Jamil , Oujia Brahim , Gadéa Florent Xavier
Published: November 2014

The potentials, spectroscopic properties and electric dipole moments of SrH+ are computed for 63 molecular states dissociating up to Sr2+ + H− using an ab initio approach. The ab initio formalism is based on large basis sets, nonempirical atomic pseudopotential for strontium core, correlation treatment for core valence through the effective core polarization potentials and for valence through full valence configuration interaction. Our theoretical molecular constants match published values very well and a large amount of new results is produced. Unusual potential shapes are found in 1Σ+ states often caused by avoided crossing series between them and imprinted by the ionic state Sr2+H−. The high potential energy curves suggest, it is possible to form H− or at least to neutralize H+ in collisions with strontium. © 2014 Wiley Periodicals, Inc.
SCAN: an approach to label and relate execution trace segments
Authors: Medini Soumaya , Arnaoudova Venera , Di Penta Massimiliano , Antoniol Giuliano , Guéhéneuc Yann‐Gaël , Tonella Paolo
Published: November 2014

Program comprehension is a prerequisite to any maintenance and evolution task. In particular, when performing feature location, developers perform program comprehension by abstracting software features and identifying the links between high‐level abstractions (features) and program elements.

We present Segment Concept AssigNer (SCAN), an approach to support developers in feature location. SCAN uses a search‐based approach to split execution traces into cohesive segments. Then, it labels the segments with relevant keywords and, finally, uses formal concept analysis to identify relations among segments. In a first study, we evaluate the performances of SCAN on six Java programs by 31 participants. We report an average precision of 69% and a recall of 63% when comparing the manual and automatic labels and a precision of 63% regarding the relations among segments identified by SCAN. After that, we evaluate the usefulness of SCAN for the purpose of feature location on two Java programs. We provide evidence that SCAN (i) identifies 69% of the gold set methods and (ii) is effective in reducing the quantity of information that developers must process to locate features—reducing the number of methods to understand by an average of 43% compared to the entire execution traces. Copyright © 2014 John Wiley & Sons, Ltd.
The Impact of Copper‐Catalyzed Alkyne–Azide 1,3‐Dipolar Cycloaddition in Fullerene Chemistry
Authors: Nierengarten Iwona , Nierengarten Jean‐François
Published: November 2014

Click reactions largely cross the borders of organic synthetic chemistry and are now at the forefront of many interdisciplinary studies at the interfaces between chemistry, physics, and biology. As part of this research, our group is involved in a program on the development of clickable fullerene building blocks and their application in the preparation of a large variety of new advanced materials and bioactive compounds. Importantly, the introduction of the click chemistry concept in fullerene chemistry allowed us to produce compounds that would barely be accessible by using the classical tools of fullerene chemistry. This is particularly the case for the conjugation of fullerenes with other carbon nanoforms, such as carbon nanohorns and graphene. It is also the case for most of the sophisticated molecular ensembles constructed from clickable fullerene hexa‐adduct building blocks. In this paper, we have summarized our ongoing progress in this particular field.

Dedicated to Professor Fernando Langa on the occasion of his 60th birthday

graphic

Dedicated to Professor Fernando Langa on the occasion of his 60th birthday
Syntheses, Crystal Structures, and Luminescent Properties of Two Cadmium/Zinc Coordination Polymers with Biphenyl‐3,4′,5‐tricarboxylate and 1,4‐Bis(3‐pyridylmethyl)piperazine
Authors: Li Yanxia , Zhu Wenping , Wang Fen
Published: November 2014

Hydrothermal reactions of CdII or ZnII with biphenyl‐3,4′,5‐tricarboxylate (H3btc) and 1,4‐bis(3‐pyridylmethyl) piperazine (bpmp) resulted in the formation of two coordination polymers {[Cd3(btc)2(bpmp)2.5]·6.5H2O}n (1) and {[Zn(Hbtc)(bpmp)0.5]·H2O}n (2), respectively. Complexes 1 and 2 were characterized by IR spectroscopy, elemental analysis, powder X‐ray diffraction, and single‐crystal X‐ray diffraction. Complex 1 features with the point symbol (42.5)4(45.52.611.72.8)2(46.52.614.74.82). Complex 2 shows a two‐dimensional (2D) structure. Furthermore, their luminescent properties were investigated
In vitroanti-inflammatory effects of citrulline on peritoneal macrophages in Zucker diabetic fatty rats
Authors: Breuillard Charlotte , Bonhomme Sandra , Couderc Rémy , Cynober Luc , De Bandt Jean-Pascal
Published: November 2014

In type 2 diabetes (T2D) macrophage dysfunction increases susceptibility to infection and mortality. This may result from the associated decreased plasma concentration of arginine, an amino acid that plays an important role in immunity.In vitro, increasing arginine availability leads to an improvement in macrophage function; however, arginine supplementation in diabetic obese patients may be detrimental. The aim of the present study was to assessin vitrowhether citrulline, an arginine precursor, could replace arginine in the regulation of macrophage function under a condition of diabetes and obesity. Peritoneal macrophages from diabetic obese or lean rats were incubated for 6 h in an arginine-free medium, in the presence of increasing citrulline concentrations (0·1, 0·5, 1 or 2 mmol/l). Cytokine and NO production was determined. Peritoneal macrophages from either lean or diabetic obese rats produced NO, and at higher levels in the cells from lean rats. In diabetic obese rats, TNF-α production decreased with increasing citrulline concentrations, but was higher than that in the cells from lean rats. In contrast, IL-6 production increased with increasing citrulline concentrations. The present experiment shows that citrulline is effectively used for NO production and regulates cytokine production in macrophages from diabetic obese rats. This effect warrantsin vivoevaluation in T2D-related inflammation.