bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Role of the π Linker in Donor–π–Acceptor Organic Dyes for High‐Performance Sensitized Solar Cells
Authors: Casanova David 
Published: October 2011

AbstractThe key elements arising from different linkers between donor (D) and acceptor (A) fragments in D–π–A organic dyes are computationally studied. Taking triarylamine and the cyanoacrylic acid fragments as donor and acceptor units, respectively, the role of the different separators is computationally explored by means of optimized geometries, frontier molecular orbitals, static polarizabilities and hyperpolarizabilities, excitation energies to the lowest excited singlet, the charge‐transfer character of the transition, and simulated absorption spectra. The results are compared to two closely related sets of linkers. Electronic‐structure calculations on the studied organic dyes are performed with the CIS(D) wave function based method and time‐dependent density functional theory (ωB97, ωB97X, and ωPBEh functionals). Solvation effects are introduced with the polarizable continuum model (PCM).
Primer and interviews: Advances in targeted gene modification
Authors: Kiefer Julie C. 
Published: October 2011

AbstractGene targeting in mice, first reported 25 years ago, has led to monumental advances in the understanding of basic biology and human disease. The ability to employ a similarly straightforward method for gene manipulation in other experimental organisms would make their already significant contributions all the more powerful. Here, we briefly outline the strengths and weaknesses of reverse genetics techniques in non‐murine model organisms, ending with a more detailed description of two that promise to bring targeted gene modification to the masses: zinc finger nucleases (ZFNs) and transcription activator‐like effector nucleases (TALENs). Dana Caroll, a forefather of zinc finger technology, and Bo Zhang, among the first to introduce TALEN‐targeted mutagenesis to zebrafish, discuss their experience with these techniques, and speculate about the future of the field. Developmental Dynamics 240:2688–2696, 2011. © 2011 Wiley Periodicals, Inc.
Why men should be included in research on binge eating: Results from a comparison of psychosocial impairment in men and women
Authors: Striegel Ruth H. , Bedrosian Richard , Wang Chun , Schwartz Steven 
Published: October 2011

AbstractObjective:Prevalence of binge eating has been shown to be as common in men as in women, yet few studies have included men. Men are especially underrepresented in treatment studies, raising the question of whether men who binge eat experience less distress or impairment than women. This study compared demographic and clinical correlates of binge eating in a large employee sample of men and women.Method:Cross‐sectional data from 21,743 men and 24,608 women who participated in a health risk self assessment screening were used. Group differences in obesity, hypertension, dyslipidemia, Type 2 diabetes, depression, stress, sleep, sick days, work impairment, and nonwork activity impairment were tested using chi‐square tests (categorical variables) and independent sample t‐tests (continuous variables).Results:Effect size estimates indicate that men (n = 1,630) and women (n = 2,754) who binge eat experience comparable levels of clinical impairment. They also report substantially greater impairment when compared with men and women who do not binge eat.Discussion:The underrepresentation of men in treatment‐seeking samples does not appear to reflect lower levels of impairment in men versus women. Efforts are needed to raise awareness of the clinical significance of binge eating in men so that this group can receive appropriate screening and treatment services. © 2011 by Wiley Periodicals, Inc. (Int J Eat Disord 2012)
Structural Relationship between Calcite–Gelatine Composites and Biogenic (Human) Otoconia
Authors: Simon Paul , Carrillo‐Cabrera Wilder , Huang Ya‐Xi , Buder Jana , Borrmann Horst , Cardoso‐Gil Raul , Rosseeva Elena , Yarin Yuri , Zahnert Thomas , Kniep Rüdiger 
Published: October 2011

AbstractBiogenic otoconia (ear dust) are composite materials of calcite with about 2 wt.‐% proteins showing an average longitudinal size of about 10 μm. The tiny biomineral particles are situated in the inner ear (in the maculae) and act as sensors for gravity and linear acceleration. Our comparative study of calcite–gelatine composites (grown by double diffusion) and human otoconia is based on decalcification experiments, scanning electron microscopy, TEM and X‐ray investigations in order to obtain a complete picture of the 3D structure and morphogenesis of the materials. Otoconia as calcite–protein composites display a cylindrical body with terminal rhombohedral faces intersecting at the pointed ends. As evidenced by TEM on focused ion beam cuts, both the artificial composites and human otoconia show a particular distribution of areas with different volume densities leading to a dumbbell‐shape of the more dense parts consisting of rhombohedral branches (with end faces) and a less ordered, less dense area (the belly region). The peculiar inner architecture of otoconia with its dumbbell‐shaped mass/density distribution is assumed to be necessary for optimal sensing of linear accelerations.
Oscillating Non‐Metallocenes – from Stereoblock‐Isotactic Polypropylene to Isotactic Polypropylene via Zirconium and Hafnium Dithiodiphenolate Catalysts
Authors: Cohen Ad , Goldberg Israel , Venditto Vincenzo , Kol Moshe 
Published: October 2011

AbstractOctahedral group 4 complexes of a new bulky tetradentate dithiodiphenolate {OSSO}‐type ligand that oscillate between two enantiomeric C2‐symmetric conformations are described. The dibenzyl Zr and Hf complexes led to active catalysts in propylene polymerization. Polypropylene having predominantly stereoblock‐isotactic microstructure or predominantly isotactic microstructure could be obtained by varying the polymerization conditions. Long isotactic blocks of 50 to more than 100 repeat units were formed at –10 °C in liquid propylene.
Reduction of Aromatic and Aliphatic Esters Using the Reducing Systems MoO2(acac)2 or V(O)(OiPr)3 in Combination with 1,1,3,3‐Tetramethyldisiloxane
Authors: Pehlivan Leyla , Métay Estelle , Laval Stéphane , Dayoub Wissam , Delbrayelle Dominique , Mignani Gérard , Lemaire Marc 
Published: October 2011

AbstractAn efficient reduction of aromatic and aliphatic esters with 1,1,3,3‐tetramethyldisiloxane in combination with [MoO2(acac)2] or [V(O)(OiPr)3] is reported. In the former system, the presence of triphenylphosphane oxide allows high conversion and good isolated yield to be reached. For the latter system, no ligand is necessary to obtain the corresponding alcohols with similar results.
Synthesis and Biological Evaluation of Gephyronic Acid Derivatives: Initial Steps towards the Identification of the Biological Target of Polyketide Inhibitors of Eukaryotic Protein Synthesis
Authors: Anderl Timo , Nicolas Lionel , Münkemer Johanna , Muthukumar Yazh , Baro Angelika , Frey Wolfgang , Sasse Florenz , Taylor Richard E. , Laschat Sabine 
Published: October 2011

AbstractCoupled to the development of a total synthesis of gephyronic acid, a series of diastereomeric analogues and their precursors have been prepared by employing complementary aldol strategies for the key coupling step of fragments 4 and 5. A biological evaluation revealed the importance of the epoxide for the cytotoxicity against L‐929 (mouse fibroblast) and KB‐3‐1 (HeLa clone, human cervix carcinoma derived) cell lines. Moreover, variation of the configuration of the C3–C5 stereotriad and the C1 carboxylic acid were found to be important features. Improved activities compared with the natural product were observed when the carboxy terminus at C1 was replaced by a methyl ester or PMB‐protected alcohol. Surprisingly, the derivatives (8R)‐17d and (8S)‐16a showed antibacterial activity against Pseudomonas aeruginosa.
An opportunity to connect the morphodynamics of alternate bars with their sedimentary products
Authors: Rodrigues Stephane , Claude Nicolas , Juge Philippe , Breheret Jean‐Gabriel 
Published: October 2011

ABSTRACTField investigations that help clarify local sedimentary processes involved in the migration of alternate bars as a consequence of flood events are lacking. A simple approach combining scour chains, stratigraphy and frequent bathymetric surveys is proposed to connect the dynamics of free migrating alternate bars present in disconnected channels of large sandy‐gravelly rivers with their sedimentary products and vice versa. The results show that the spatial distribution of bars before a flood partly governs the scour and fill processes and that the sediment transport rates vary significantly on a single cross‐section. This can be due to preferential axes of the migration of the bars determined by their location on the cross‐section, the bank direction and the discharge. The approach allows the reconstruction of local sedimentary processes involved in alternate bar migration by combining maximum scour depths reached during a flood with frequent channel bed topography surveys and post‐flood stratigraphy. It is also possible to distinguish deposited and preserved sediments compared with sediments by‐passed during the flood. Copyright © 2011 John Wiley & Sons, Ltd.
Uplink OFDMA resource allocation with discrete rates: optimal solution and suboptimal implementation
Authors: Yaacoub Elias , El‐Hajj Ahmad M. , Dawy Zaher 
Published: October 2011

ABSTRACTResource allocation in the uplink of orthogonal frequency‐division multiple access systems is investigated. The problem of ergodic utility maximisation with discrete rates is formulated and solved using dual Lagrangian techniques. Suboptimal algorithms based on equal power allocation over the subcarriers are proposed. Results are presented and compared for the continuous and discrete rates scenario, using both the optimal solutions and the suboptimal algorithms. Equal power allocation is shown to approximate well the optimal solution in the continuous rates case, as well as in the discrete rates scenario when the number of modulation and coding schemes increases. Copyright © 2011 John Wiley & Sons, Ltd.
Sensing of OFDM signals with cyclic delay diversity over doubly‐selective fading channels
Authors: Tian Jinfeng , Jiang Yonglei , Chen Huaxia , Hu Honglin 
Published: October 2011

ABSTRACTOrthogonal frequency division multiplexing signals with cyclic delay diversity (CDD) exhibit distinguishable cyclostationarity that can be used to design cyclostationary signatures for cognitive radio networks. However, such cyclostationary signatures are seriously weakened over doubly‐selective fading channels, which consequently causes remarkable performance degradation of cyclostationarity‐based detectors. In this paper, we propose a new detector for CDD orthogonal frequency division multiplexing (CDD‐OFDM) signals over doubly‐selective fading channels. By modelling the doubly‐selective fading channel with basis expansion model, we derive the second‐order cyclic statistics of the received CDD‐OFDM signal in close form. Not only the transmitter‐induced cyclostationary characteristics but also the channel‐spread cyclostationary features are exploited for sensing CDD‐OFDM signals that experience doubly‐selective fading. Simulation results indicate that the proposed detector provides substantial performance improvement. Copyright © 2011 John Wiley & Sons, Ltd.
Using CAViaR Models with Implied Volatility for Value‐at‐Risk Estimation
Authors: Jeon Jooyoung , Taylor James W. 
Published: October 2011

ABSTRACTThis paper proposes value‐at risk (VaR) estimation methods that are a synthesis of conditional autoregressive value at risk (CAViaR) time series models and implied volatility. The appeal of this proposal is that it merges information from the historical time series and the different information supplied by the market's expectation of risk. Forecast‐combining methods, with weights estimated using quantile regression, are considered. We also investigate plugging implied volatility into the CAViaR models—a procedure that has not been considered in the VaR area so far. Results for daily index returns indicate that the newly proposed methods are comparable or superior to individual methods, such as the standard CAViaR models and quantiles constructed from implied volatility and the empirical distribution of standardised residuals. We find that the implied volatility has more explanatory power as the focus moves further out into the left tail of the conditional distribution of S&P 500 daily returns. Copyright © 2012 John Wiley & Sons, Ltd.
Claudin-1 involved in neonatal ichthyosis sclerosing cholangitis syndrome regulates hepatic paracellular permeability
Authors: Grosse Brigitte , Cassio Doris , Yousef Nadya , Bernardo Céline , Jacquemin Emmanuel , Gonzales Emmanuel 
Published: October 2011

Abstract

Neonatal ichthyosis and sclerosing cholangitis (NISCH) syndrome is a liver disease caused by mutations of CLDN1 encoding Claudin-1, a tight-junction (TJ) protein. In this syndrome, it is speculated that cholestasis is caused by Claudin-1 absence, leading to increased paracellular permeability and liver injuries secondary to paracellular bile regurgitation. We studied the role of claudin-1 in hepatic paracellular permeability. A NISCH liver and polarized rat cell lines forming TJs, the hepatocellular Can 10 and the cholangiocellular normal rat choloangiocyte (NRC), were used. In contrast to NRC, Can 10 does not express claudin-1. Can 10 cells were transfected with a plasmid encoding Claudin-1, and stable Claudin-1-expressing clones were isolated. Claudin-1 expression was silenced by transfection with short interfering RNA in Can 10 clones and with short hairpin RNA in NRC. Claudin-1 expression was evaluated by quantitative reverse-transcriptase polymerase chain reaction, immunoblotting, and immunolocalization. Paracellular permeability was assessed by fluorescein isothiocyanate-dextran passage in both lines and by transepithelial resistance measurements in NRC. In the NISCH liver, Claudin-1 was not detected in hepatocytes or cholangiocytes. In Claudin-1 expressing Can 10 clones, Claudin-1 was localized at the TJ and paracellular permeability was decreased, compared to parental Can 10 cells, this decrease correlating with claudin-1 levels. Silencing of Claudin-1 in Can 10 clones increased paracellular permeability to a level similar to that of parental cells. Similarly, we observed an increase of paracellular permeability in NRC cells silenced for claudin-1 expression. Conclusion: Defect in claudin-1 expression increases paracellular permeability in polarized hepatic cell lines, supporting the hypothesis that paracellular bile leakage through deficient TJs is involved in liver pathology observed in NISCH syndrome. (Hepatology 2012)
Probabilistic evaluation of flood hazard in urban areas using Monte Carlo simulation
Authors: Aronica G. T. , Franza F. , Bates P. D. , Neal J. C. 
Published: October 2011

AbstractThe goal of the presented research was the derivation of flood hazard maps, using Monte Carlo simulation of flood propagation at an urban site in the UK, specifically an urban area of the city of Glasgow. A hydrodynamic model describing the propagation of flood waves, based on the De Saint Venant equations in two‐dimensional form capable of accounting for the topographic complexity of the area (preferential outflow paths, buildings, manholes, etc.) and for the characteristics of prevailing imperviousness typical of the urban areas, has been used to derive the hydrodynamic characteristics of flood events (i.e. water depths and flow velocities). The knowledge of the water depth distribution and of the current velocities derived from the propagation model along with the knowledge of the topographic characteristics of the urban area from digital map data allowed for the production of hazard maps based on properly defined hazard indexes. These indexes are evaluated in a probabilistic framework to overcome the classical problem of single deterministic prediction of flood extent for the design event and to introduce the concept of the likelihood of flooding at a given point as the sum of data uncertainty, model structural error and parameterization uncertainty. Copyright © 2011 John Wiley & Sons, Ltd.
Water balance of irrigated areas: a remote sensing approach
Authors: Taghvaeian Saleh , Neale Christopher M.U. 
Published: October 2011

AbstractAn efficient management of our precious water resources is not possible without acquiring a comprehensive and detailed understanding on water fluxes at irrigated areas. In the past few decades, agricultural water balance analyses have been carried out at a wide variety of temporal (from hourly to annual) and spatial (from plant root zone to basin) scales. Scheme‐wide water balance analyses, in particular, provide information on the amount of water supplied to irrigation schemes and its fate. This paper attempts to summarise the results of previous studies in quantifying water balance components of irrigation schemes, as well as to present challenges and opportunities of conducting such research projects. With recent improvements in air‐ and space‐borne imaging of land surfaces, remote sensing techniques nowadays can serve as a powerful tool in monitoring/modeling water movements, at or near real time. Remote sensing contribution to water balance studies could be as simple as developing crop classification maps, or as complicated as estimating the spatially distributed evapotranspiration, which is perhaps the most critical water flux in irrigated areas. Therefore, this paper also aims to review the few studies that have incorporated satellite‐derived products in their water budget analysis. Finally, the results of a case study from the southern California are presented to better demonstrate the potential of remotely sensed data. Copyright © 2011 John Wiley & Sons, Ltd.
EVAPORATION AND WIND DRIFT LOSSES DURING SPRINKLER IRRIGATION INFLUENCED BY DROPLET SIZE DISTRIBUTION
Authors: Molle B. , Tomas S. , Hendawi M. , Granier J. 
Published: October 2011

ABSTRACTIrrigated agriculture is often criticized for its poor resource‐use efficiency in the case of sprinkler systems in comparison with localized irrigation. Water losses due to evaporation of droplets during flight and wind drift of droplets out of the target area are often generalized regardless of the context in which they were measured, and may reveal the evaporation capacity of the measurement facility rather than that of the irrigation system itself. Using an approach combining in situ measurement (rainfall, electric conductivity) and simulations, losses were estimated according to droplet size distribution. Droplets less than 1 mm in diameter displayed the highest losses. Losses due to evaporation represented 30‐50% of total loss; the remaining 50–70% were due to wind causing small droplets to drift outside the target zone. With a Rain Bird 46 sprinkler, total losses for the different periods of the day should not represent more than 20% at any time, or less than 4% for a 24‐h irrigation period in the climate conditions that prevail in summer in the south of France. Copyright © 2011 John Wiley & Sons, Ltd.
VAR FORECASTING USING BAYESIAN VARIABLE SELECTION
Authors: Korobilis Dimitris 
Published: October 2011

SUMMARYThis paper develops methods for automatic selection of variables in Bayesian vector autoregressions (VARs) using the Gibbs sampler. In particular, I provide computationally efficient algorithms for stochastic variable selection in generic linear and nonlinear models, as well as models of large dimensions. The performance of the proposed variable selection method is assessed in forecasting three major macroeconomic time series of the UK economy. Data‐based restrictions of VAR coefficients can help improve upon their unrestricted counterparts in forecasting, and in many cases they compare favorably to shrinkage estimators. Copyright © 2011 John Wiley & Sons, Ltd.
TAX‐LIMITED REACTION FUNCTIONS
Authors: Porto Edoardo Di , Revelli Federico 
Published: October 2011

SUMMARYThis paper models for the first time a spatial process in local tax policies in the presence of centrally imposed fiscal limitations. Focusing on the frequently encountered case of a tax rate cap, we evaluate three empirical approaches to the analysis of spatially dependent limited tax policies: (i) a Bayesian spatial approach for censored dependent variables; (ii) a Tobit corner solution model augmented with a spatial lag; (iii) a spatial discrete hazard model. The evidence arising from an investigation of severely state‐constrained local vehicle taxes in Italy suggests that ignoring tax limitations can lead to substantial underestimation of inter‐jurisdictional fiscal interaction. Copyright © 2011 John Wiley & Sons, Ltd.
Canal wall thickness after preparation with NiTi rotary files
Authors: BrkaniĆ Tatjana , Stojšin Ivana , Živković Slavoljub , Vukoje Karolina 
Published: October 2011

AbstractRoot canal preparation is the most important phase of endodontic procedure and it consists of adequate canal space cleaning and shaping. In recent years, rotary instruments and techniques have gained importance because of the great efficacy, speed, and safety of the preparation procedure. AIM: The aim of this research was to investigate measurement of maximal and minimal residual dentine thickness (RDT) and canal diameter after the canal preparation with different NiTi rotary files. METHODS: The research has been conducted on extracted human teeth in vitro conditions. The teeth have been divided in seven groups (20 teeth per group) depending on the kind of instruments used for root canal preparation: ProTaper, GT, ProFile, K‐3, FlexMaster, hand ProTaper, and hand GT. The canals have been shaped in a crown‐down manner and irrigated with 5.25% sodium hypochlorite. The roots of the teeth have been cut 1 and 3 mm from the apex. Apical preparation quality has been assessed under the polarized light microscope. RESULTS: The maximal residual dentine thickness at distance 1 mm from apex, ranged from 1.16 to 1.45 mm, and at distance 3 mm from apex, from 1.44 to 1.84 mm. The minimal dentine thickness at distance 1 mm from apex ranged from 0.52 to 0.73 mm, and at distance 3 mm from apex, from 0.66 to 0.83 mm. The canal diameters after preparation at distance 1 mm from apex ranged from 0.42 to 0.49 mm, and at distance 3 mm from apex, from 0.53 to 0.63 mm. CONCLUSIONS: There was no significant difference neither in maximal and minimal RDT, nor in canal diameters shaped with different NiTi instruments tested. All tested NiTi files have accomplished good quality preparation of apical root canal parts. Microsc. Res. Tech., 2011. © 2011 Wiley Periodicals, Inc.