bluuebunny/crossref_metadata_2025 huggingface dataset:
Ferroelectric nanodot formation from spin‐coated poly(vinylidene fluoride‐co‐trifluoroethylene) films and their application to organic solar cells
Authors: Choi Yoon‐Young , Kwak Kyungwon , Seo Ji‐Won , Park Moonkyu , Paik Haemin , Lee Jung‐Yong , Hong Jongin , No Kwangsoo
Published: July 2014

We demonstrated a facile route to the preparation of self‐assembled poly(vinylidene fluoride‐co‐trifluoroethylene) [P(VDF‐TrFE)] nanodots from spin‐coated thin films. We found that the initial film thickness would play an important role in the formation of such P(VDF‐TrFE) nanodots. Interestingly, the electric dipoles of such nanodots were self‐aligned toward the bottom electrode and their ferroelectric properties were determined by using piezoresponse force microscopy. In addition, the self‐polarized ferroelectric nanostructures were introduced to small molecular organic photovoltaic devices and allowed for enhancing the short circuit current density (Jsc) from 9.4 mA/cm2 to 10.2 mA/cm2 and the power conversion efficiency from 2.37% to 2.65%. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 41230.
Particle Swarm Optimization for Vehicle Positioning Based on Robust Cubature Kalman Filter
Authors: Liu Jiang , Cai Baigen , Wang Yunpeng
Published: July 2014

This paper is concerned with the particle swarm optimization (PSO) based adaptive solution of a robust cubature Kalman filter (RCKF) for data fusion in land vehicle positioning. The cubature rule applied in the cubature Kalman filter is employed to solve the nonlinearity in system and measurement models. With the principle of bounded error covariance, a robust filtering solution is derived to provide tolerance to model uncertainties and the nonlinear approximation errors. On this basis, particle swarm optimization is adopted to assist the original RCKF algorithm and improve the estimation performance by adjusting the restraint coefficient, which is designed as a key parameter. Thus, a novel PSO‐assisted robust Kalman filtering scheme is proposed for both the adaption and robustness performance. Simulation analysis and discussions are given to illustrate capabilities and advantages of the proposed filtering solution.
Changes to radiosonde reports and their processing for numerical weather prediction
Authors: Ingleby Bruce , Edwards David
Published: July 2014

In the biggest change to radiosonde reporting for many years binary BUFR reports are replacing alphanumeric TEMP code. The binary reports can provide much higher vertical resolution and the time and position of each level, but changes to observation processing at forecast centres are needed to use the new reports and in particular the level dependent positions. Using data vertically averaged over model layers, observation minus background (O − B) statistics from both formats compare closely (with a temperature offset of about 0.1°C due to rounding in the older format). Correct treatment of balloon drift improves the O − B statistics at upper‐levels.
Effect of telaprevir on the metabolism and hepatic uptake of tacrolimus (FK506)
Authors: Oda Kazuo , Yamano Katsuhiro
Published: July 2014

Telaprevir, a chronic hepatitis C virus (HCV) protease inhibitor, is known to be a cytochrome P450 (CYP) 3A4/5 substrate and inhibitor. In the present study, the in vitro inhibitory effect of telaprevir on the metabolism of tacrolimus in human liver microsomes was investigated using 13‐O‐demethyltacrolimus (M‐I) as a monitor metabolite. Telaprevir inhibited M‐I formation in a time‐dependent fashion with rate of enzyme inactivation (kinact) and concentration to reach 50% of kinact (KI) values of 0.113 min‐1 and 0.511 µm, respectively. Using the inhibition parameters generated, in vitro–in vivo extrapolations were performed to evaluate the clinical relevance of the effect of telaprevir on the area under the curve versus time (AUC) of tacrolimus. When 750 mg of telaprevir was administered orally, the intestinal wall availability (Fg) of tacrolimus was estimated to be increased 3.7‐ to 7.0‐fold. The hepatic intrinsic clearance (CLint) of tacrolimus was also estimated to be decreased 4.4‐ to 19‐fold. These results suggest that the increased AUC of tacrolimus in the presence of telaprevir was caused by intestinal and hepatic metabolism inhibition. In addition, the inhibitory effect of telaprevir on the hepatic uptake of tacrolimus was also examined using human cryopreserved hepatocytes. However, no significant inhibitory effect was noted, suggesting that the effect of telaprevir on hepatic transporters did not contribute to the increase in tacrolimus exposure. Copyright © 2014 John Wiley & Sons, Ltd.
Defining ‘medical necessity’ in an age of personalised medicine: A view from Canada
Authors: Caulfield Timothy , Zarzeczny Amy
Published: July 2014

The concept of medical necessity plays a central role in many healthcare systems, including Canada's, by helping determine which healthcare services will receive funding. Despite its significance in health policy frameworks, medical necessity has proven to be notoriously difficult to define and operationalise. A shift toward a more personalised and genetically‐informed approach to the provision of healthcare seems likely to heighten associated policy challenges. One of the stated goals of personalised medicine is to save healthcare systems money by facilitating the use of less and more effective treatments. However, any cost saving potential may ultimately be thwarted by physicians' legal and ethical obligations, given that physicians will inevitably be required to implement and define the bounds of genetically‐informed medical necessity for their patients.
Development of a flow‐injection analysis system with fluorescence detection for gatifloxacin determination in organized medium
Authors: Lima Vaz Monica F. , de Oliveira João Vitor F. , Cassella Ricardo J. , Pacheco Wagner F.
Published: July 2014

This work reports the development and optimization of a flow injection analysis system with fluorescence detection (FIA–FLUO) for gatifloxacin (GFX) determination in organized medium. The analytical system was based on the enhanced fluorescence of gatifloxacin in micellar medium containing sodium dodecyl sulfate (SDS) at pH 6.0. The influence of physical (carrier flow rate, sample volume and volume of reaction coil) and chemical (pH, concentration of buffer and concentration of SDS) parameters that could affect the performance of the FIA system was evaluated in order to reach optimum conditions in terms of sensitivity and analytical throughput. Under optimized conditions, the FIA–FLUO system allowed the injection of 40 samples per hour with a limit of quantification of 72 µg/L and a RSD of 3.5% at 0.20 mg/L. Real samples of commercial pharmaceutical formulations containing GFX were analyzed, and no statistical difference was observed between the results obtained using the developed system and those obtained using the reference method based on high‐performance liquid chromatography with UV detection. Copyright © 2014 John Wiley & Sons, Ltd.
Enhanced spectrofluorimetric determination of esomeprazole and pantoprazole in dosage forms and spiked human plasma using organized media
Authors: Belal Fathalla , Sharaf EL‐Din Mohie , Tolba Manar M. , Alaa Heba
Published: July 2014

A simple, sensitive and rapid spectrofluorimetric method was developed for the determination of esomeprazole (EMZ) and pantoprazole (PRZ) in their pharmaceutical formulations and human plasma. The proposed method is based on the fluorescence spectral behavior of EMZ in methanol in the presence of 0.1 m NaOH containing 0.5% methyl cellulose (MC) at 306/345 nm. The fluorescence intensity of EMZ was enhanced about 1.3‐fold and good linearity in the range 0.4–4.0 µg/mL with a lower detection limit of 0.04 µg/mL and lower quantification limit of 0.14 µg/mL. For PRZ, its methanolic solution exhibited marked native fluorescence at 290/325 nm after enhancement (about 2.1‐ or 1.4‐fold) using either 0.025% sodium dodecyl sulfate (SDS) or 0.05% MC in the presence of 0.2 m borate buffer of pH 9.5. The fluorescence–concentration plots of PRZ were rectilinear over the ranges 0.2–2.0 and 0.3–3.0 µg/mL with lower detection limits of 0.02 and 0.03 µg/mL and lower quantification limits of 0.07 and 0.09 µg/mL using sodium dodecyl sulfate and MC, respectively. The method was successfully applied to the analysis of EMZ and PRZ in their commercial dosage forms and the results were in good agreement with those obtained with the comparison method. Furthermore, in a preliminary investigation, the proposed method was extended to the in vitro determination of the two drugs in spiked human plasma and the results were satisfactory. Copyright © 2014 John Wiley & Sons, Ltd.
Charge‐tunable polymers as reversible and recyclable flocculants for the dewatering of microalgae
Authors: Morrissey Kathryn L. , He Chunlin , Wong Min Hao , Zhao Xueying , Chapman Rebeccah Z. , Bender Shana L. , Prevatt William D. , Stoykovich Mark P.
Published: July 2014

Microalgae‐derived biofuels have potential advantages over other renewable, crop‐based resources; however, large‐scale production is not currently economical due, in part, to challenges in the harvesting step. In this article, we present a novel approach for the dewatering and harvesting of microalgae using flocculants that can be recovered and recycled. Polyampholytes with molecular charges dependent upon pH (ranging from net positively‐ to net negatively‐charged) are used as a model flocculant system and provide reversible electrostatic interactions with the negatively‐charged algal cells. These pH‐dependent properties allow the polyampholytic flocculants to efficiently desorb from concentrated biomass and, unlike most commercial flocculants that have permanently charged functionalities, be recovered and recycled for further dewatering processes. The behavior of the model polyampholytic flocculants is characterized for the dewatering of Chlorella vulgaris (UTEX 395). The reversible and recyclable flocculants achieve >99% flocculation efficiencies, are recovered at more than 98 wt% yields after biomass dewatering, and can be recycled over five times for flocculation. Biotechnol. Bioeng. 2015;112: 74–83. © 2014 Wiley Periodicals, Inc.
A dispersive liquid–liquid micellar microextraction for the determination of pharmaceutical compounds in wastewaters using ultra‐high‐performace liquid chromatography with DAD detection
Authors: Montesdeoca‐Esponda Sarah , Mahugo‐Santana Cristina , Sosa‐Ferrera Zoraida , Santana‐Rodríguez José Juan
Published: July 2014

A dispersive liquid–liquid micellar microextraction (DLLMME) method coupled with ultra‐high‐performance liquid chromatography (UHPLC) using Diode Array Detector (DAD) detector was developed for the analysis of five pharmaceutical compounds of different nature in wastewaters. A micellar solution of a surfactant, polidocanol, as extraction solvent (100 μL) and chloroform as dispersive solvent (200 μL) were used to extract and preconcentrate the target analytes. Samples were heated above critical temperature and the cloudy solution was centrifuged. After removing the chloroform, the reduced volume of surfactant was then injected in the UHPLC system. In order to obtain high extraction efficiency, the parameters affecting the liquid‐phase microextraction, such as time and temperature extraction, ionic strength and surfactant and organic solvent volume, were optimized using an experimental design. Under the optimized conditions, this procedure allows enrichment factors of up to 47‐fold. The detection limit of the method ranged from 0.1 to 2.0 µg/L for the different pharmaceuticals. Relative standard deviations were <26% for all compounds. The procedure was applied to samples from final effluent collected from wastewater treatment plants in Las Palmas de Gran Canaria (Spain), and two compounds were measured at 67 and 113 µg/L in one of them. Copyright © 2014 John Wiley & Sons, Ltd.
Social feedback processing from early to late adolescence: influence of sex, age, and attachment style
Authors: Vrtička Pascal , Sander David , Anderson Brittany , Badoud Deborah , Eliez Stephan , Debbané Martin
Published: July 2014

Objective

The establishment of an accurate understanding of one's social context is a central developmental task during adolescence. A critical component of such development is to learn how to integrate the objective evaluation of one's behavior with the social response to the latter—here referred to as social feedback processing.

Case report

We measured brain activity by means of fMRI in 33 healthy adolescents (12–19 years old, 14 females). Participants played a difficult perceptual game with integrated verbal and visual feedback. Verbal feedback provided the participants with objective performance evaluation (won vs. lost). Visual feedback consisted of either smiling or angry faces, representing positive or negative social evaluations. Together, the combination of verbal and visual feedback gave rise to congruent versus incongruent social feedback combinations. In addition to assessing sex differences, we further tested for the effects of age and attachment style on social feedback processing. Results revealed that brain activity during social feedback processing was significantly modulated by sex, age, and attachment style in prefrontal cortical areas, ventral anterior cingulate cortex, anterior insula, caudate, and amygdala/hippocampus. We found indication for heightened activity during incongruent social feedback processing in females, older participants, and individuals with an anxious attachment style. Conversely, we observed stronger activity during processing of congruent social feedback in males and participants with an avoidant attachment style.

Conclusion

Our findings not only extend knowledge on the typical development of socio‐emotional brain function during adolescence, but also provide first clues on how attachment insecurities, and particularly attachment avoidance, could interfere with the latter mechanisms.
Recurring DNA copy number gain at chromosome 9p13 plays a role in the activation of multiple candidate oncogenes in progressing oral premalignant lesions
Authors: Towle Rebecca , Tsui Ivy F. L. , Zhu Yuqi , MacLellan Sara , Poh Catherine F. , Garnis Cathie
Published: July 2014

Genomic alteration at chromosome 9p has been previously reported as a frequent and critical event in oral premalignancy. While this alteration is typically reported as a loss driven by selection for CDKN2A deactivation (at 9p21.3), we detect a recurrent DNA copy number gain of ~2.49 Mbp at chromosome 9p13 in oral premalignant lesions (OPLs) that later progressed to invasive lesions. This recurrent alteration event has been validated using fluorescence in situ hybridization in an independent set of OPLs. Analysis of publicly available gene expression datasets aided in identifying three oncogene candidates that may have driven selection for DNA copy number increases in this region (VCP, DCTN3, and STOML2). We performed in vitro silencing and activation experiments for each of these genes in oral cancer cell lines and found that each gene is independently capable of upregulating proliferation and anchorage‐independent growth. We next analyzed the activity of each of these genes in biopsies of varying histological grades that were obtained from a diseased oral tissue field in a single patient, finding further molecular evidence of parallel activation of VCP, DCTN3, and STOML2 during progression from normal healthy tissue to invasive oral carcinoma. Our results support the conclusion that DNA gain at 9p13 is important to the earliest stages of oral tumorigenesis and that this alteration event likely contributes to the activation of multiple oncogene candidates capable of governing oral cancer phenotypes.
In vitro validation and comparison of different software packages or algorithms for coronary bifurcation analysis using calibrated phantoms: Implications for clinical practice and research of bifurcation stenting
Authors: Ishibashi Yuki , Grundeken Maik J. , Nakatani Shimpei , Iqbal Javaid , Morel Marie‐Angele , Généreux Philippe , Girasis Chrysafios , Wentzel Jolanda J. , Garcia‐Garcia Hector M. , Onuma Yoshinobu , Serruys Patrick W.
Published: July 2014

Background

The accuracy and precision of quantitative coronary angiography (QCA) software dedicated for bifurcation lesions compared with conventional single‐vessel analysis remains unknown. Furthermore, comparison of different bifurcation analysis algorithms has not been performed.

Methods

Six plexiglas phantoms with 18 bifurcations were manufactured with a tolerance < 10 µm. The bifurcation angiograms were analyzed using Cardiovascular Angiography Analysis System (CAAS; Version 5.10, Pie Medical Imaging, Maastricht, The Netherlands) and QAngio XA (Version 7.3, Medis Medical Imaging System BV, Leiden, The Netherlands) software packages.

Results

Conventional single‐vessel analysis underestimated the reference vessel diameter and percent diameter stenosis in the proximal main vessel while it overestimated these parameters in the distal main vessel and side branch. CAAS software showed better overall accuracy and precision than QAngio XA (with automatic Y‐ or T‐shape bifurcation algorithm selection) for various phantom diameters including minimum lumen diameter (0.012 ± 0.103 mm vs. 0.041 ± 0.322 mm, P = 0.003), reference vessel diameter (−0.050 ± 0.043 mm vs. 0.116 ± 0.610 mm, P = 0.026), and % diameter stenosis (−0.94 ± 4.07 % vs. 1.74 ± 7.49 %, P = 0.041). QAngio XA demonstrated higher minimal lumen diameter, reference vessel diameter, and % diameter stenosis when compared to the actual phantom diameters; however, the accuracy of these parameters improved to a similar level as CAAS when the sole T‐shape algorithm in the QAnxio XA was used.

Conclusion

The use of the single‐vessel QCA method is inaccurate in bifurcation lesions. Both CAAS and QAngio XA (when the T shape is systematically used) bifurcation software packages are suitable for quantitative assessment of bifurcations. © 2014 Wiley Periodicals, Inc. © 2014 Wiley Periodicals, Inc.
Preparation of Palladium Catalysts Supported on Carbon Nanotubes by an Electrostatic Adsorption Method
Authors: Zhang Liyun , Wen Guodong , Liu Hongyang , Wang Ning , Su Dang Sheng
Published: July 2014

Pd nanoparticles supported on carbon nanotubes (CNTs) with an average Pd size of around 1 nm were synthesized successfully by a facile strong electrostatic adsorption (SEA) method. CNTs functionalized with various surface oxygen functional groups (SFGs) were obtained by treating the raw CNTs with concentrated HNO3 or HNO3/H2SO4. The SFGs could decrease the point of zero charge (PZC) of the CNTs and promoted the adsorption of Pd cationic complexes on the CNTs. In particular, the intrinsic and in situ formed (hydrolyzed from carboxylic anhydride groups) carboxylic acid groups of the CNTs during the adsorption process mainly influenced the adsorption of Pd cationic complexes. The SEA method was superior to the traditional incipient wetness impregnation method for the synthesis of highly dispersed Pd catalysts, which exhibited a high specific activity for the Suzuki coupling reaction.
Hafnia–Silica Cryogels: Solvent‐Assisted Textural and Catalytic Control in the Citronellal Cyclization
Authors: Jimeno Ciril , Miras Jonathan , Esquena Jordi
Published: July 2014

A series of hafnia–silica mixed oxides of HfO2(SiO2)8 stoichiometry were prepared by a sol–gel method followed by freeze‐drying. Two hafnium precursors, Hf(OiPr)4 and Hf(OtBu)4 were examined under a variety of aqueous–alcoholic systems. A decisive dependence of the alcoholic solvent on the gel formation and the surface and porosity of the final materials was found, which in turn were key to the enhancement of catalysis. Hence, acid hydrolysis and gelification of Hf(OiPr)4 in tert‐butyl alcohol, followed by lyophilization, yielded a material with the highest mesoporosity and specific surface area. This catalyst behaved most efficiently in the acid‐catalyzed cyclization of citronellal to isopulegol at room temperature. Furthermore, this cryogel also presented combined Lewis acidity and hydrogen bonding that resulted in higher diastereoselectivity for the above reaction. These results highlight the effect of how the textural and, therefore catalytic, properties of the cryogels depend decisively on the solvents chosen for their synthesis.
Synthesis and Properties of Core–Shell Metal–Ceramic Microstructures and their Application as Heterogeneous Catalysts
Authors: Kim Jieun , Lee Doohwan
Published: July 2014

A facile synthesis of core–shell metal–ceramic microcomposites with unique structural and chemical properties and their superior performance as heterogeneous catalysts are reported. These core–shell microstructures were prepared by hydrothermal surface oxidation of Al particles in water with or without the presence of heterometal species followed by calcination. The crystalline porous MgAl2O4 spinel, which has complex morphological features, allowed the superior dispersion and stability of Rh clusters, and the core–shell microarchitecture provided facilitated heat and mass transport concomitantly, which enabled a significant enhancement in the glycerol conversion turnover rate to hydrogen compared to the conventional Rh/MgAl2O4 catalyst. This simple and scalable heterogeneous catalyst design approach offers practical applicability for catalytic reactions that require extensive heat and mass flux and rapid process response, such as for micro‐fuel‐processing in fuel cells.
Effect of Specific Amino Acids on Controlling Crystal Pseudopolymorphism of L‐Arginine Hydrochloride
Authors: Shimizu Takeshi , Yoshiura Hiromu , Nagano Hiroshi , Hirasawa Izumi
Published: July 2014

The effect of a small amount of amino acid additives on the pseudopolymorphism of L‐arginine hydrochloride (LAHCL) in aqueous solution is reported. Results confirm that L‐alanine (L‐Ala) has a stabilizing effect on the crystals of the anhydrate form of LAHCL at low temperature. Intriguingly, the stabilizing effect was observed even when L‐Ala was added after a large amount of LAHCL had formed. In contrast, no stabilizing effect with D‐Ala could be stated, suggesting that the stereochemistry of the additives is an important factor. In addition to the stereochemistry, also the length and bulkiness of the alkyl side‐chain of the amino acids were found to be significant factors. Based on these results, a mechanism is proposed for stabilization of anhydrate LAHCL crystals by amino acid additives.
Raman, UV, NIR, and Mid‐IR Spectroscopy with Focused Beam Reflectance Measurement in Monitoring Polymorphic Transformations
Authors: Simone Elena , Saleemi Ali N. , Nagy Zoltan K.
Published: July 2014

Raman, UV, NIR, and IR spectroscopy are commonly used techniques to monitor solute concentration and solid composition during crystallization processes of polymorphic compounds. Since a comprehensive study and comparison of the ability of these techniques to detect polymorphic transformation in the same system has not been performed yet, this work aimed at developing a complete quantitative calibration model that describes the process in terms of solute concentration and solid composition for each technique. A comparison between the different process analytical technology tools was conducted using various physical and mathematical approaches. Chemometrics techniques, multivariate and univariate approaches, and different regression techniques were tested and an integrated calibration model is proposed.
Macroporous Fe3O4/Carbon Composite Microspheres with a Short Li+ Diffusion Pathway for the Fast Charge/Discharge of Lithium Ion Batteries
Authors: Choi Seung Ho , Ko You Na , Jung Kyeong Youl , Kang Yun Chan
Published: July 2014

Macroporous Fe3O4/carbon composite and core–shell Fe3O4@carbon composite microspheres have been prepared by means of one‐pot spray pyrolysis. The addition of polystyrene (PS) nanobeads to a spray solution containing an iron salt and poly(vinylpyrrolidone) (PVP) led to macroporous Fe3O4/carbon composite microspheres, the carbon and iron components of which are uniformly distributed over the entire composite microsphere. The pore‐size distribution curve for the macroporous Fe3O4/carbon composite shows distinct peaks at around 10 and 80 nm. An electrode prepared from the macroporous Fe3O4/carbon composite microspheres showed better cycling and rate performances than an electrode formed from core–shell Fe3O4@carbon composite microspheres. The initial discharge and charge capacities of the macroporous Fe3O4/carbon composite microsphere electrode were determined to be 1258 and 908 mA h g−1 at 2 A g−1, respectively, and the corresponding initial coulombic efficiency was 72 %. The composite microsphere electrode cycled 500 times at 5 A g−1 showed a high discharge capacity of 733 mA h g−1.
Fluorine‐Doped Porous Single‐Crystal Rutile TiO2 Nanorods for Enhancing Photoelectrochemical Water Splitting
Authors: Fang Wen Qi , Huo Ziyang , Liu Porun , Wang Xue Lu , Zhang Miao , Jia Yi , Zhang Haimin , Zhao Huijun , Yang Hua Gui , Yao Xiangdong
Published: July 2014

Fluorine‐doped hierarchical porous single‐crystal rutile TiO2 nanorods have been synthesized through a silica template method, in which F− ions acts as both n‐type dopants and capping agents to make the isotropic growth of the nanorods. The combination of high crystallinity, abundant surface reactive sites, large porosity, and improved electronic conductivity leads to an excellent photoelectrochemical activity. The photoanode made of F‐doped porous single crystals displays a remarkably enhanced solar‐to‐hydrogen conversion efficiency (≈0.35 % at −0.33 V vs. Ag/AgCl) under 100 mW cm−2 of AM=1.5 solar simulator illumination that is ten times of the pristine solid TiO2 single crystals.
Directly Decoupled Diffusion‐Ordered NMR Spectroscopy for the Analysis of Compound Mixtures
Authors: Glanzer Simon , Zangger Klaus
Published: July 2014

For the analysis of compound mixtures by NMR spectroscopy, it is important to assign the different peaks to the individual constituents. Diffusion‐ordered spectroscopy (DOSY) is often used for the separation of signals based on their self‐diffusion coefficient. However, this method often fails in the case of signal overlap, which is a particular problem for 1H‐detected DOSY spectra. Herein, an approach that allows the acquisition of homonuclear broadband‐decoupled DOSY spectra without the introduction of an additional decoupling dimension, by instant decoupling during acquisition, is presented. It was demonstrated on a mixture of six alcohols, and the investigation of the binding of a dodecapeptide to membrane mimetics.
Amyloid Transition of Ubiquitin on Silver Nanoparticles Produced by Pulsed Laser Ablation in Liquid as a Function of Stabilizer and Single‐Point Mutations
Authors: Mangini Vincenzo , Dell'Aglio Marcella , Stradis Angelo De , Giacomo Alessandro De , Pascale Olga De , Natile Giovanni , Arnesano Fabio
Published: July 2014

The interaction of nanoparticles with proteins has emerged as a key issue in addressing the problem of nanotoxicity. We investigated the interaction of silver nanoparticles (AgNPs), produced by laser ablation with human ubiquitin (Ub), a protein essential for degradative processes in cells. The surface plasmon resonance peak of AgNPs indicates that Ub is rapidly adsorbed on the AgNP surface yielding a protein corona; the Ub‐coated AgNPs then evolve into clusters held together by an amyloid form of the protein, as revealed by binding of thioflavin T fluorescent dye. Transthyretin, an inhibitor of amyloid‐type aggregation, impedes aggregate formation and disrupts preformed AgNP clusters. In the presence of sodium citrate, a common stabilizer that confers an overall negative charge to the NPs, Ub is still adsorbed on the AgNP surface, but no clustering is observed. Ub mutants bearing a single mutation at one edge β strand (i.e. Glu16Val) or in loop (Glu18Val) behave in a radically different manner.
ChemInform Abstract: Structural Implications of Spin, Charge, and Orbital Ordering in Rubidium Sesquioxide, Rb4O6.
Authors: Sans Annette , Nuss Juergen , Fecher Gerhard H. , Muehle Claus , Felser Claudia , Jansen Martin
Published: July 2014

Rb4O6 displays mixed valency on the anionic lattice and an open p‐shell electronic configuration.
ChemInform Abstract: Toward a Better Understanding of the Magnetocaloric Effect: An Experimental and Theoretical Study of MnFe4Si3.
Authors: Gourdon Olivier , Gottschlich Michael , Persson Joerg , de la Cruz Clarina , Petricek Vaclav , McGuire Michael A. , Brueckel Thomas
Published: July 2014

The low temperature ferromagnetic ordering in the title compound is reinvestigated by time‐of‐flight neutron powder diffraction, magnetic susceptibility measurements, and spin‐polarized TB‐LMTO electronic structure calculations.
ChemInform Abstract: Mg0.7Cu0.3Al2O4 Spinel‐Type Catalyst Active for CO Oxidation under Practical Conditions.
Authors: Taniguchi Masashi , Uenishi Mari , Tanaka Hirohisa , Mizuno Noritaka
Published: July 2014

Mg1‐xCuxAl2O4 (0 ≤ x ≤ 1) and Mg0.7M0.3Al2O4 (M: Mn, Co, Ni) are prepared by coprecipitation followed by calcination (800—1000 °C, 1 h).
ChemInform Abstract: Solid‐State Actinide Acid Phosphites from Phosphorous Acid Melts.
Authors: Oh George N. , Burns Peter C.
Published: July 2014

The synthesized compounds are characterized by single crystal XRD.
ChemInform Abstract: The Phosphides U6Fe30P19 and U6Co30P19 with the Yb6Co30P19 Structure Type.
Authors: Tarasenko Mariya S. , Albering Joerg H. , Jeitschko Wolfgang , Ibers James A.
Published: July 2014

Powders of the new compounds U6Fe30P19 (I) and U6Co30P19 (II) are prepared by reaction of the elements (U:Fe(Co):P = 1:5:4) in a Sn flux (evacuated silica tubes, 1073 K, 1 week).
ChemInform Abstract: Mg4.85Rh6Si13, a Magnesium Rhodium Silicide with Silicon Clusters Si4 and Si18.
Authors: Kessens Heike , Schnelle Walter , Jung Walter
Published: July 2014

Mg4.85Rh6Si13 is obtained from a melt of the elements in the molar ratio Mg:Rh:Si = 1:1:3 (alumina crucible in Ta ampoule, 1.
ChemInform Abstract: One Pot Synthesis of Imidazo[2,1‐b]thiazoles and Benzo[d]thiazolo[3,2‐a]imidazoles.
Authors: Mir Niyaz A. , Shah Tariq A. , Ahmed Sarfaraz , Muneer M. , Rath Nigam P. , Ahmad Musheer
Published: July 2014

A catalyst‐free condensation of amino‐ and mercapto‐substituted azoles with dibenzoylacetylene offers a convenient synthesis of a diverse range of the title compounds.
ChemInform Abstract: A Carbanion Induced Synthesis of Highly Congested Pyrazole and Imidazole Containing Heterocycles.
Authors: Maurya Hardesh K. , Gupta Atul
Published: July 2014

Enamines (III) as well as congested di‐ (V), penta‐ (X), and hexacyclic pyrazoles (XII) are synthesized.
ChemInform Abstract: Ascorbic Acid as an Initiator for the Direct C—H Arylation of (Hetero)arenes with Anilines Nitrosated in situ.
Authors: Crisostomo Fernando Pinacho , Martin Tomas , Carrillo Romen
Published: July 2014

Ascorbic acid is successfully applied in this reaction as a radical initiator.
ChemInform Abstract: Double Cycloadditive Macrocyclization: An Efficient Method for Cyclophane.
Authors: Zeng Y. M. , Liu F. M.
Published: July 2014

A series of macrocycles containing isoxazoline and dioxazole are synthesized for the first time.
ChemInform Abstract: Rhodium‐Catalyzed C—H Alkynylation of Arenes at Room Temperature.
Authors: Feng Chao , Loh Teck‐Peng
Published: July 2014

This is the first example for merging a hypervalent iodine reagent with rhodium(III) catalysis.
ChemInform Abstract: Rhodium(III)‐Catalyzed C—C Coupling of Arenes with 2‐Vinyloxiranes: Synthesis of Allylic Alcohols.
Authors: Yu Songjie , Li Xingwei
Published: July 2014

Title compounds are obtained under mild conditions as mixtures of isomers.
ChemInform Abstract: Powerful Fluoroalkoxy Molybdenum(V) Reagent for Selective Oxidative Arene Coupling Reaction.
Authors: Schubert Moritz , Leppin Jana , Wehming Kathrin , Schollmeyer Dieter , Heinze Katja , Waldvogel Siegfried R.
Published: July 2014

A novel dinuclear fluoroalkoxy Mo(V)‐complex is efficient as reagent for the oxidative arene coupling of electron‐rich arenes with superior reactivity compared to MoCl5 and MoCl5/TiCl4.
ChemInform Abstract: Atom‐Economic, Regiodivergent, and Stereoselective Coupling of Imidazole Derivatives with Terminal Allenes.
Authors: Xu Kun , Thieme Niels , Breit Bernhard
Published: July 2014

The title reaction affords both chiral branched and achiral linear products in dependance on the conditions used.
ChemInform Abstract: Trifluoroacetic Acid in 2,2,2‐Trifluoroethanol Facilitates SNAr Reactions of Heterocycles with Arylamines.
Authors: Golding Bernard T. , et al. et al.
Published: July 2014

Trifluoroacetic acid/2,2,2‐trifluoroethanol (TFA‐TFE) is used as an effective combination for achieving SNAr reactions between heterocycles (e.g., purines and pyrimidines) bearing a suitable leaving group and anilines.
ChemInform Abstract: Synthesis, Antioxidant, and Cytotoxic Activities of N‐Azole Substituted Thiomorpholine Derivatives.
Authors: Reddy Putta Ramachandra , Reddy Guda Mallikarjuna , Padmaja Adivireddy , Padmavathi Venkatapuram , Kondaiah Paturu , Krishna Narra Siva
Published: July 2014

New thiomorpholine derivative (Va) exhibits radical scavenging activity greater than the standard ascorbic acid.
ChemInform Abstract: Borylation Using Group IV Metallocene under Mild Conditions.
Authors: Marciasini Ludovic D. , Vaultier Michel , Pucheault Mathieu
Published: July 2014

Titanocene or zirconocene derivatives promote the reaction of aryldiazonium tetrafluoroborates with diisopropylaminoborane as stable intermediates, which can be directly converted to arylpinacolboranes in a one‐pot manner.
ChemInform Abstract: N‐Halosuccinimide/AgNO3‐Efficient Reagent Systems for One‐Step Synthesis of 2‐Haloglycals from Glycals: Application in the Synthesis of 2C‐Branched Sugars via Heck Coupling Reactions.
Authors: Dharuman Suresh , Vankar Yashwant D.
Published: July 2014

A new one‐step synthesis of 2‐iodoglycals is developed starting from glycals using NIS/AgNO3 as reagent systems.
ChemInform Abstract: Synthetic Chemistry with N‐Acyliminium Ions Derived from Piperazine‐2,5‐diones and Related Compounds
Authors: Avendano Carmen , de la Cuesta Elena
Published: July 2014

Review: 131 refs.
ChemInform Abstract: Homogeneous Nature of the True Catalytic Species for Heck Reactions with Supported Pd Particles
Authors: Huang Lin , Wong Pui Kwan
Published: July 2014

Review: 73 refs.
ChemInform Abstract: An Update on Trifluoromethylation of Carbonyl Compounds
Authors: Boechat Nubia , Bastos Monica Macedo
Published: July 2014

Review: 114 refs.
ChemInform Abstract: Reactions of Nitrogen Derivatives of Carbonyl Compounds with Phenyliodoso Diacetate in Organic Synthesis
Authors: Kotali Antigoni , Kotali Elvira , Lafazanis Ioannis S. , Harris Philip A.
Published: July 2014

Review: 135 refs.
ChemInform Abstract: Control of the Regioselectivity in Palladium(O)‐Catalyzed Allylic Alkylation
Authors: Norsikian Stephanie , Chang Chih‐Wei
Published: July 2014

Review: 275 refs.
ChemInform Abstract: Water Interfaces, Solvation, and Spectroscopy
Authors: Geissler Phillip L.
Published: July 2014

Review: 115 refs.
ChemInform Abstract: Defect Textures of Liquid Crystals
Authors: Cowling Stephen James , Davis Edward James , Mandle Richard John , Goodby John William
Published: July 2014

Review: 44 refs.
ChemInform Abstract: Strategies for Delivering Local Anesthetics to the Skin: Focus on Liposomes, Solid Lipid Nanoparticles, Hydrogels and Patches
Authors: de Araujo Daniele R. , da Silva Deyse C. , Barbosa Raquel M. , Franz‐Montan Michelle , Cereda Cintia M. S. , Padula Cristina , Santi Patrizia , de Paula Eneida
Published: July 2014

Review: 118 refs.
ChemInform Abstract: Mesocrystals as a Class of Multifunctional Materials
Authors: Liu Yanqiong , Zhang Yu , Wang John
Published: July 2014

Review: 207 refs.
ChemInform Abstract: Estimation of Rate Constants in Nonlinear Reactions Involving Chemical Inactivation of Oxidation Catalysts
Authors: Emelianenko Maria , Torrejon Diego , DeNardo Matthew A. , Socolofsky Annika K. , Ryabov Alexander D. , Collins Terrence J.
Published: July 2014

Review: 21 refs.
Tablet Production – Energy Dissipation and Temperature Increase
Authors: Gilson Laurent , Bröckel Ulrich
Published: July 2014

Die Tablettierung führt, ähnlich wie Zerkleinerungsvorgänge, zu Temperaturerhöhungen im Produkt und zur Erwärmung der Tablettenpresse, da die eingetragene Energie größtenteils als Wärme dissipiert wird. In Abhängigkeit von Presskraft und Schmiermittelanteil wird der zeitliche Verlauf der Erwärmung dargestellt und anhand der berechneten maximalen Tablettentemperatur bewertet. Zwei unterschiedliche Messverfahren werden präsentiert und verglichen.
Quantifying Water Pollution Sources in a Small Tile‐drained Agricultural Watershed
Authors: Fučík Petr , Hejduk Tomáš , Peterková Jana
Published: July 2014

This paper evaluates the quantity and quality dynamics of surface and drainage waters in a small, 7.1 km2 agricultural watershed, located in the crystalline complex of the Czech Republic. Concentrations and monthly solute loads of amonium nitrogen (NH4‐N), nitrate nitrogen (NO3‐N), phosphate phosphorus (PO4‐P) and total phosphorus (Ptot) from ten watershed's subcatchments with different soil, land use and tile drainage characteristics were compared for the period March–October from 2009 to 2011. The results and relevant processes were described using regular monitoring as well as event‐based sampling approaches, methods of runoff separation and regression techniques. The average baseflow comprised 35–50%, whereas interflow and overland flow were 50–65% of the total runoff. The highest concentrations of NO3‐N were detected in waters originating from cultivated and tiled subcatchments; those of NH4‐N, PO4‐P and Ptot came from subcatchments containing settlements and water ponds. In the monitored sites within the watershed, non‐point pollution sources produced on average 23% of NH4‐N, approximately 45% of NO3‐N, 24% of PO4‐P and about 26% of Ptot of total monthly solute loads. The differences in the share of monitored subcatchments in the total load from non‐point pollution sources varied from month to month and were caused mainly by miscellaneous hydrological conditions and natural as well as man‐altered runoff characteristics. The obtained results confirmed that used methods count for a useful approach for discerning water pollution sources and their dynamics in small, tile drained watersheds.
Explaining Fullerene Dispersion by using Micellar Solutions
Authors: Dallavalle Marco , Leonzio Marco , Calvaresi Matteo , Zerbetto Francesco
Published: July 2014

An effective computational strategy to describe the dispersion of C60 by surfactants is presented. The influence of parameters such as surfactant concentration and molecular length on the final morphology of the system is explored to explain the experimental results and to understand the incorporation of C60 inside micelles. Both neutral and charged amphiphilic molecules are simulated. The long‐discussed problem of the location of fullerenes in micelles is addressed and C60 is found in the hydrocarbon‐chain region of the micelles. If the available hydrophobic space increases, C60 is localized in the inner part of the micellar core. Short, charged amphiphilic stabilizers are more efficient at dispersing fullerenes monomolecularly. Two different phases of C60 are observed as the C60/surfactant ratio varies. In the first, aggregates of C60 are entrapped inside the micelles, whereas, in the second, colloidal nanoC60 is formed with surfactants adsorbed on the surface.
Cooperative beamforming and relay selection in cognitive radio systems
Authors: Abbasi‐Jannatabad M. , Khoshbin H.
Published: July 2014

In this paper, a new scheme is suggested for cooperative beamforming (BF) and relay selection in CR networks, where a pair of secondary users communicates with each other assisted by some multiple antenna relay nodes. The goal of the algorithm is to maximize signal to interference plus noise ratio of secondary user receiver subject to limited interference caused for primary user receiver and power constraints of relay nodes. The relay selection and BF optimization problem is solved separately by employing convex semidefinite programming through rank‐one relaxation. It is shown that our proposed algorithm outperforms conventional relay selection and BF schemes. Copyright © 2014 John Wiley & Sons, Ltd.
Cux1 and Cux2 selectively target basal and apical dendritic compartments of layer II‐III cortical neurons
Authors: Cubelos Beatriz , Briz Carlos G. , Esteban‐Ortega Gemma María , Nieto Marta
Published: July 2014

A number of recent reports implicate the differential regulation of apical and basal dendrites in autism disorders and in the higher functions of the human brain. They show that apical and basal dendrites are functionally specialized and that mechanisms regulating their development have important consequences for neuron function. The molecular identity of layer II‐III neurons of the cerebral cortex is determined by the overlapping expression of Cux1 and Cux2. We previously showed that both Cux1 and Cux2 are necessary and nonredundant for normal dendrite development of layer II‐III neurons. Loss of function of either gene reduced dendrite arbors, while overexpression increased dendritic complexity and suggested additive functions. We herein characterize the function of Cux1 and Cux2 in the development of apical and basal dendrites. By in vivo loss and gain of function analysis, we show that while the expression level of either Cux1 or Cux2 influences both apical and basal dendrites, they have distinct effects. Changes in Cux1 result in a marked effect on the development of the basal compartment whereas modulation of Cux2 has a stronger influence on the apical compartment. These distinct effects of Cux genes might account for the functional diversification of layer II‐III neurons into different subpopulations, possibly with distinct connectivity patterns and modes of neuron response. Our data suggest that by their differential effects on basal and apical dendrites, Cux1 and Cux2 can promote the integration of layer II‐III neurons in the intracortical networks in highly specific ways. © 2014 Wiley Periodicals, Inc. Develop Neurobiol 75: 163–172, 2015
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Authors: Colopy Sara A. , Bjorling Dale E. , Mulligan William A. , Bushman Wade
Published: July 2014

Background: Homeostatic maintenance and repair of the bladder urothelium has been attributed to proliferation of keratin 5‐expressing basal cells (K5‐BC) with subsequent differentiation into superficial cells. Recent evidence, however, suggests that the intermediate cell layer harbors a population of progenitor cells. We use label‐retaining cell (LRC) methodology in conjunction with a clinically relevant model of uropathogenic Escherichia coli (UPEC)‐induced injury to characterize urothelial ontogeny during development and in response to diffuse urothelial injury. Results: In the developing urothelium, proliferating cells were dispersed throughout the K5‐BC and intermediate cells layers, becoming progressively concentrated in the K5‐BC layer with age. When 5‐bromo‐2‐deoxyuridine (BrdU) was administered during urothelial development, LRCs in the adult were found within the K5‐BC, intermediate, and superficial cell layers, the location dependent upon time of labeling. UPEC inoculation resulted in loss of the superficial cell layer followed by robust proliferation of K5‐BCs and intermediate cells. LRCs within the K5‐BC and intermediate cell layers proliferated in response to injury. Conclusions: Urothelial development and regeneration following injury relies on proliferation of K5‐BC and intermediate cells. The existence and proliferation of LRCs within both the K5‐BC and intermediate cell layers suggests the presence of two populations of urothelial progenitor cells. Developmental Dynamics 243::988–998, 2014. © 2014 Wiley Periodicals, Inc.
The impact of Three Gorges Dam on the downstream eco‐hydrological environment and vegetation distribution of East Dongting Lake
Authors: Xie Yong‐hong , Yue Tang , Xin‐sheng Chen , Feng Li , Zheng‐miao Deng
Published: July 2014

The ecological and environmental consequences of large dam projects have received increasing attention in the recent decades. On the basis of daily water‐level data, six periods of TM/ETM+ data and a digital elevation model, the eco‐hydrological environments and vegetation area of East Dongting Lake, were compared for the years 1995–2011, spanning periods before and after the implementation of the Three Gorges Dam (TGD) in 2003. Vegetation area (including three types: forestry, reed and grass) continuously expanded, and the minimum elevation of vegetation‐covered area (VCA) gradually decreased by 0·88 m from 1995 to 2011. Following the implementation of the TGD, the rates of both vegetation expansion (12·3 vs 14·1 km2 year−1) and the lowering of minimum elevation of VCA (3·1 vs 7·9 cm year−1) increased rapidly. Monthly water level decreased considerably from July to November, and annual submergence duration at elevations of 22–26 and 30 m was considerably decreased after the TGD was implemented. The average maximum submergence duration of VCA was 231 days. Almost equal linear equations describing elevation change from 1995 to 2011 indicated that the minimum elevation of VCA identified via analysis of TM/ETM+ images can be represented by the maximum submergence duration evaluated via daily water level. These data indicate that vegetation colonized the non‐vegetation area (including mud beach or water body) more quickly after the implementation of the TGD, due to the drastic changes in eco‐hydrological environments such as the decreasing water level and the minimum elevation of VCA. The present methodology might allow faster and more reliable assessment of inundation related landscape impacts on a basin scale and thereby contribute to biodiversity monitoring and policy assessment. Copyright © 2014 John Wiley & Sons, Ltd.
Coordination Cluster Analogues of the High‐Spin [Mn19] System with Functionalized 2,6‐Bis(hydroxymethyl)phenol Ligands
Authors: Mameri Samir , Ako Ayuk M. , Yesil Fatma , Hibert Marcel , Lan Yanhua , Anson Christopher E. , Powell Annie K.
Published: July 2014

A series of 2,6‐bis(hydroxymethyl)‐4‐R‐phenol ligands (H3LR; R = H, F, Cl, Br, I, Ph, NH2, NO2, SMe) have either been newly synthesized or the existing syntheses have been significantly improved to investigate ligand‐functionalized analogues of the previously published coordination cluster [MnIII12MnII7(μ4‐O)8(μ3‐N3)8(HLMe)12(MeCN)6]Cl2·10MeOH·MeCN (1) with S = 83/2. The crystal structures and magnetic properties of three such Mn19 clusters, namely, [MnIII12MnII7(μ4‐O)8(HLH)12(μ3‐Cl)7(μ3‐OMe)(MeOH)6]Cl2·16H2O·10MeOH·MeCN (3), [MnIII12MnII7(μ4‐O)8(HLI)12(μ3‐N3)8(MeOH)6](O2CH)2·16MeOH·10MeCN (4) and [MnIII12MnII7(μ4‐O)8(μ3‐Cl)7.7(μ3‐OMe)0.3(HLSMe)12(MeOH)6]Cl2·27MeOH (5) are reported and compared to those of the parent cluster. When these ligands are functionalized with substituents of moderate electronegativity, it is possible to synthesize Mn19 analogues; however, when such ligands bear highly electron‐donating (amino) or ‐withdrawing (nitro) substituents, the Mn19 analogues are no longer accessible. The Mn19 cluster framework is both magnetically and structurally robust with respect to the electron‐donor/acceptor characteristics of the ligand substituent; therefore, the Mn19 system is an excellent platform for peripheral chemical engineering.
Regiospecific Synthesis of 7‐Hydroxyindoles from Pyrroles by Anionic Benzannulation
Authors: Dinda Bidyut Kumar , Basak Shyam , Mal Dipakranjan
Published: July 2014

Anionic annulation of appropriate 2,3‐disubstituted pyrroles with Michael acceptors provides an expedient route to densely substituted 7‐hydroxyindoles. Intrinsic to the methodology, the resulting substituents are disposed in a fully regiocontrolled manner. The methodology is applicable to the synthesis of 7‐hydroxybenzofurans. None of the indoles/benzofurans or pyrrole synthons synthesized in this study have hitherto been reported.