bluuebunny/crossref_metadata_2025 huggingface dataset:
3D model of frequency representation in the cochlear nucleus of the CBA/J mouse
Authors: Muniak Michael A. , Rivas Alejandro , Montey Karen L. , May Bradford J. , Francis Howard W. , Ryugo David K.
Published: October 2012

The relationship between structure and function is an invaluable context with which to explore biological mechanisms of normal and dysfunctional hearing. The systematic and topographic representation of frequency originates at the cochlea, and is retained throughout much of the central auditory system. The cochlear nucleus (CN), which initiates all ascending auditory pathways, represents an essential link for understanding frequency organization. A model of the CN that maps frequency representation in 3D would facilitate investigations of possible frequency specializations and pathologic changes that disturb frequency organization. Toward this goal, we reconstructed in 3D the trajectories of labeled auditory nerve (AN) fibers following multiunit recordings and dye injections in the anteroventral CN of the CBA/J mouse. We observed that each injection produced a continuous sheet of labeled AN fibers. Individual cases were normalized to a template using 3D alignment procedures that revealed a systematic and tonotopic arrangement of AN fibers in each subdivision with a clear indication of isofrequency laminae. The combined dataset was used to mathematically derive a 3D quantitative map of frequency organization throughout the entire volume of the CN. This model, available online (http://3D.ryugolab.com/), can serve as a tool for quantitatively testing hypotheses concerning frequency and location in the CN. J. Comp. Neurol. 521:1510–1532, 2013. © 2012 Wiley Periodicals, Inc.
First‐Principles Calculations on Electronic Structures of N/V‐Doped and N‐V‐Dodoped Anatase TiO2 (101) Surfaces
Authors: Zhao Zongyan , Li Zhaosheng , Zou Zhigang
Published: October 2012

The energetic and electronic properties of N/V‐doped and N‐V‐codoped anatase TiO2 (101) surfaces are investigated by first‐principles calculations, with the aim to elucidate the relationship between the electronic structure and the photocatalytic performance of N‐V‐codoped TiO2. Several substitutional and interstitial configurations for the N and/or V impurities in the bulk phase and on the surface are studied, and the relative stability of different doping configurations is compared by the impurity formation energy. Systematic calculations reveal that N and V impurities can be encapsulated by TiO2 to form stable structures as a result of strong N‐V interactions both in the bulk and the surface model. Through analyzing and comparing the electronic structures of different doping systems, the synergistic doping effects are discussed in detail. Based on these discussions, we suggest that NOVTi codoping cannot only narrow the band gap of anatase TiO2, but also forms impurity states, which are propitious for the separation of photoexcited electron–hole pairs. In the case of NOVTi‐codoped TiO2 (101) surfaces, this phenomenon is especially prominent. Finally, a feasible synthesis route for NOVTi codoping into anatase TiO2 is proposed.
Anion–π Interactions Involving [MXn]m−Anions: A Comprehensive Theoretical Study
Authors: Estarellas Carolina , Quiñonero David , Deyà Pere M. , Frontera Antonio
Published: October 2012

In this manuscript we perform a systematic study on the geometric and energetic features of anion–π complexes, wherein the anion is a metal complex of variable shapes and charges. Such a study is lacking in the literature. For the calculations we used the ab initio RI‐MP2/def2‐TZVPP level of theory. A search in the Cambridge Structural Database (CSD) provides the experimental starting point that inspired the subsequent theoretical study. The influence of [MXn]m−on the anion–π interaction was analyzed in terms of energetic, geometric, and charge transfer properties and Bader′s theory of “atom‐in‐molecules” (AIM). The binding energy depends on the coordination index, geometric features and different orientations adopted by the metallic anion. The binding mode resembling a stacking interaction for linear, trigonal planar and square‐planar anions is the most favorable. For tetrahedral and octahedral anions the most favorable orientation is the one with three halogen atoms pointing to the ring.
Distribution Function of Spatial Derivative of the Ion Electric Microfield Using the Independent Particles Model in Plasmas
Authors: Guerricha S. , Chihi S. , Meftah M. T.
Published: October 2012

In this work the distribution function of spatial derivative of parallel component of quasistatic ion electric microfield in plasma is calculated. Some physical approximations are used in these calculations, where only interactions between charged emitter and perturber ions are taken into account, as first step. This approximation is known as the independent particles model. Some special functions and series are used in these calculations. It is deduced that the distribution function of spatial derivative of the ion microfield may be depend more on the probability of finding the microfield rather than the microfield value itself (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
A Biosensor for Aromatic Aldehydes Comprising the Mediator Dependent PaoABC‐Aldehyde Oxidoreductase
Authors: Badalyan Artavazd , Neumann‐Schaal Meina , Leimkühler Silke , Wollenberger Ulla
Published: October 2012

A novel aldehyde oxidoreductase (PaoABC) from Escherichia coli was utilized for the development of an oxygen insensitive biosensor for benzaldehyde. The enzyme was immobilized in polyvinyl alcohol and currents were measured for aldehyde oxidation with different one and two electron mediators with the highest sensitivity for benzaldehyde in the presence of hexacyanoferrate(III). The benzaldehyde biosensor was optimized with respect to mediator concentration, enzyme loading and pH using potassium hexacyanoferrate(III). The linear measuring range is between 0.5–200 µM benzaldehyde. In correspondence with the substrate selectivity of the enzyme in solution the biosensor revealed a preference for aromatic aldehydes and less effective conversion of aliphatic aldehydes. The biosensor is oxygen independent, which is a particularly attractive feature for application. The biosensor can be applied to detect contaminations with benzaldehyde in solvents such as benzyl alcohol, where traces of benzaldehyde in benzyl alcohol down to 0.0042 % can be detected.
Modulation of mutagenesis in eukaryotes by DNA replication fork dynamics and quality of nucleotide pools
Authors: Waisertreiger Irina S.‐R. , Liston Victoria G. , Menezes Miriam R. , Kim Hyun‐Min , Lobachev Kirill S. , Stepchenkova Elena I. , Tahirov Tahir H. , Rogozin Igor B. , Pavlov Youri I.
Published: October 2012

The rate of mutations in eukaryotes depends on a plethora of factors and is not immediately derived from the fidelity of DNA polymerases (Pols). Replication of chromosomes containing the anti‐parallel strands of duplex DNA occurs through the copying of leading and lagging strand templates by a trio of Pols α, δ and ϵ, with the assistance of Pol ζ and Y‐family Pols at difficult DNA template structures or sites of DNA damage. The parameters of the synthesis at a given location are dictated by the quality and quantity of nucleotides in the pools, replication fork architecture, transcription status, regulation of Pol switches, and structure of chromatin. The result of these transactions is a subject of survey and editing by DNA repair. Environ. Mol. Mutagen., 2012. © 2012 Wiley Periodicals, Inc.
The impact of managers' perceptions of learning organizations on innovation in healthcare: sample of Turkey
Authors: Ugurluoglu Ozgur , Ugurluoglu Aldogan Ece , Dilmac Elife
Published: October 2012

Organizational learning is the process of increasing effective organizational activities through knowledge and understanding. Innovation is the creation of any product, service or process, which is new to a business unit. Significant amount of research on organizational learning place a central meaning on the fact that there is a positive relationship between organizational learning and innovation. Both organizational learning and innovation are essential for organizations to prepare for change. The aim of this study is to determine to what extent the identified learning organization dimensions are associated with innovation.

The study used a quantitative non‐experimental design employing statistical analysis via multiple regression and correlation methods to identify the relationships between the variables examined. Because the research was conducted in a non‐experimental way, learning organization dimensions are referred to as predictor variables, and innovation is referred to as the criterion variable. Watkins and Marsick's Dimensions of the Learning Organization Questionnaire was used in the study. Questionnaires were distributed to 498 hospital managers and, 243 valid responses were used in this study. Therefore, 243 hospital managers working at 250 Ministry of Health (public) hospitals across Turkey participated in the study.

Results demonstrate that there are significant and positive correlations between learning organization dimensions and innovation. Intercorrelations between learning organization dimensions and correlations between learning organization dimensions and innovation were average and high, respectively. Results further indicate that the dimensions of the learning organizations explained 66.5% of the variance for the innovation. Copyright © 2012 John Wiley & Sons, Ltd.
“Diagnosing” Saudi health reforms: is NHIS the right “prescription”?
Authors: Al‐Sharqi Omar Zayan , Abdullah Muhammad Tanweer
Published: October 2012

This paper outlines the health context of the Kingdom of Saudi Arabia (KSA). It reviews health systems development in the KSA from 1925 through to contemporary New Health Insurance System (NHIS). It also examines the consistency of NHIS in view of the emerging challenges. This paper identifies the determinants and scope of contextual consistency. First, it indicates the need to evolve an indigenous, integrated, and comprehensive insurance system. Second, it highlights the access and equity gaps in service delivery across the rural and remote regions and suggests how to bring these under insurance coverage. Third, it suggests how inputs from both the public and private sectors should be harmonized – the “quality” of services in the private healthcare industry to be regulated by the state and international standards, its scope to be determined primarily by open‐market dynamics and the public sector welfare‐model to ensure “access” of all to essential health services. Fourth, it states the need to implement an evidence‐based public health policy and bridge inherent gaps in policy design and personal‐level lifestyles. Fifth, it points out the need to produce a viable infrastructure for health insurance. Because social research and critical reviews in the KSA health scenario are rare, this paper offers insights into the mainstream challenges of NHIS implementation and identifies the inherent weaknesses that need attention. It guides health policy makers, economists, planners, healthcare service managers, and even the insurance businesses, and points to key directions for similar research in future. Copyright © 2012 John Wiley & Sons, Ltd.
Immunogenic cell death biomarkers HMGB1, RAGE, and DNAse indicate response to radioembolization therapy and prognosis in colorectal cancer patients
Authors: Fahmueller Yvonne Nadine , Nagel Dorothea , Hoffmann Ralf‐Thorsten , Tatsch Klaus , Jakobs Tobias , Stieber Petra , Holdenrieder Stefan
Published: October 2012

Radioembolization therapy (RE) is an efficient locoregional treatment for liver metastases from colorectal cancer. Serum biomarkers involved in immunogenic cell death are potentially valuable for early predicting therapy response and estimating prognosis. In a prospective observation study, blood samples were taken from 49 consecutive colorectal cancer patients with extensive hepatic metastases before, 24 and 48 hr after RE. Serum levels of high mobility group box 1 (HMGB1), receptor of glycation end products (RAGE) and activity of desoxyribonuclease were compared with response to therapy regularly determined radiologically 3 months after therapy and with overall survival. Serum levels of HMGB1 were increased already 24 hr after RE, while RAGE levels were decreased and DNAse remained unchanged. In radiological staging, 35 patients demonstrated disease progression while 14 patients had stable disease or remission. Serum HMGB1 levels 24 hr after RE were significantly higher in progressive than in nonprogressive patients while for RAGE and DNAse no difference was observed between the response groups. Concerning overall survival, high pretherapeutic (0 hr) and 24 hr levels of HMGB1 were associated with poor outcome. Multivariate analysis including HMGB1, tumor, liver and inflammation markers revealed HMGB1 and CRP as independent prognostic parameters. HMGB1 is a valuable serum biomarker for early estimation of therapy response and prognosis in colorectal cancer patients with liver metastases undergoing RE therapy.
Predictions of survival up to 10 years after diagnosis for European women with breast cancer in 2000–2002
Authors: Allemani Claudia , Minicozzi Pamela , Berrino Franco , Bastiaannet Esther , Gavin Anna , Galceran Jaume , Ameijide Alberto , Siesling Sabine , Mangone Lucia , Ardanaz Eva , Hédelin Guy , Mateos Antonio , Micheli Andrea , Sant Milena ,   the EUROCARE Working Group
Published: October 2012

Few studies have addressed longer‐term survival for breast cancer in European women. We have made predictions of 10‐year survival for European women diagnosed with breast cancer in 2000–2002. Data for 114,312 adult women (15–99 years) diagnosed with a first primary malignant cancer of the breast during 2000–2002 were collected in the EUROCARE‐4 study from 24 population‐based cancer registries in 14 European countries. We estimated relative survival at 1, 5, and 10 years after diagnosis for women who were alive at some point during 2000–2002, using the period approach. We also estimated 10‐year survival conditional on survival to 1 and 5 years after diagnosis. Ten‐year survival exceeded 70% in most regions, but was only 54% in Eastern Europe, with the highest value in Northern Europe (about 75%). Ten‐year survival conditional on survival for 1 year was 2–6% higher than 10‐year survival in all European regions, and geographic differences were smaller. Ten‐year survival for women who survived at least 5 years was 88% overall, with the lowest figure in Eastern Europe (79%) and the highest in the UK (91%). Women aged 50–69 years had higher overall survival than older and younger women (79%). Six cancer registries had adequate information on stage at diagnosis; in these jurisdictions, 10‐year survival was 89% for local, 62% for regional and 10% for metastatic disease. Data on stage are not collected routinely or consistently, yet these data are essential for meaningful comparison of population‐based survival, which provides vital information for improving breast cancer control.
Oral benzo[a]pyrene in Cyp1a1/1b1(–/–) double‐knockout mice: Microarray analysis during squamous cell carcinoma formation in preputial gland duct
Authors: Gálvez‐Peralta Marina , Shi Zhanquan , Chen Jing , Miller Marian L. , Nebert Daniel W.
Published: October 2012

Benzo[a]pyrene (BaP) is a prototypical polycyclic aromatic hydrocarbon (PAH) found in combustion processes. Cytochrome P450 1A1 and 1B1 enzymes (CYP1A1, CYP1B1) and other enzymes can activate PAHs to reactive oxygenated intermediates involved in mutagenesis and tumor initiation; also, CYP1 enzymes can detoxify PAHs. Cyp1(+/+) wild‐type (WT) and Cyp1b1(–/–) knockout mice receiving oral BaP (12.5 mg/kg/day) remain healthy for >12 months. In contrast, we found that global knockout of the Cyp1a1 gene (1a1KO) results in proximal small intestine (PSI) adenocarcinoma within 8–12 weeks on this BaP regimen; striking compensatory increases in PSI CYP1B1 likely participate in initiation of adenocarcinoma in 1a1KO mice. Cyp1a1/1b1(–/–) double‐knockout (DKO) mice on this BaP regimen show no PSI adenocarcinoma, but instead preputial gland duct (PGD) squamous cell carcinoma (SCC) occurs by 12 weeks. Herein, we compare microarray expression of PGD genes in WT, 1a1KO and DKO mice at 0, 4, 8, 12 and 16 weeks of oral BaP; about four dozen genes up‐ or down‐regulated during most critical time‐points were further verified by qRT‐PCR. In DKO mice, CYP3A59 was unequivocally identified as the BaP‐inducible and BaP‐metabolizing best candidate responsible for initiation of BaP‐induced SCC. Striking increases or decreases were found in 26 cancer‐related genes plus eight Serpin genes in DKO, but not in 1a1KO or WT, mice on this BaP regimen; of the 26, 8 were RAS‐related oncogenes. The mechanism by which cancer‐related genes are responsible for SCC tumor progression in the PGD remains to be elucidated.
P‐157L: Late‐News Poster: Cover Glass for Mobile Devices
Authors: Hayashi Kazutaka , Akiba Shusaku , Sakagami Takahiro , Sawamura Shigeki , Nakashima Tetsuya , Ohkawa Hiroyuki
Published: October 2012

Fracture modes of cover glass of smartphones and tablet PCs were determined through fracture analysis. As a result, evaluation methods corresponding to two dominant fracture modes, edge fracture and surface fracture, were determined. Finally a guideline of chemical strengthening parameters for mobile display cover glass was proposed. Newly developed glass which is suitable for the guideline was introduced.
Absence of genotoxic effects of the coumarin derivative 4‐methylesculetin in vivo and its potential chemoprevention against doxorubicin‐induced DNA damage
Authors: Fedato Rafael Palhano , Maistro Edson Luis
Published: October 2012

4‐Methylesculetin (4‐ME) is a synthetic derivative of coumarin that displays a potent reactive oxygen species (ROS) scavenger and metal chelating agent and therefore has been produced to help reduce the risk of human disease. The main objective of this study was to investigate the in vivo genotoxicity of 4‐ME and initially to verify its potential antigenotoxicity on doxorubicin (DXR)‐induced DNA damage. Different doses of 4‐ME (500, 1000 and 2000 mg kg–1 body weight) were administered by gavage only or with a simultaneous intraperitoneal (i.p.) injection of DXR (80 mg kg–1). The following endpoints were analyzed: DNA damage in peripheral blood, liver, bone marrow, brain and testicle cells according to an alkaline (pH > 13) comet assay and micronucleus induction in bone marrow cells. Cytotoxicity was assessed by scoring polychromatic (PCE) and normochromatic (NCE) erythrocytes (PCE/NCE ratio). No differences were observed between the negative control and the groups treated with a 4‐ME dose for any of the endpoints analyzed, indicating that it lacks genotoxic and cytotoxic effects. Moreover, 4‐ME demonstrated protective effects against DXR‐induced DNA damage at all tested doses and in all analyzed cell types, which ranged from 34.1% to 93.3% in the comet assay and 54.4% to 65.9% in the micronucleus test. Copyright © 2012 John Wiley & Sons, Ltd.
Modified hydra bioassay to evaluate the toxicity of multiple mycotoxins and predict the detoxification efficacy of a clay‐based sorbent
Authors: Brown K. A. , Mays T. , Romoser A. , Marroquin‐Cardona A. , Mitchell N. J. , Elmore S. E. , Phillips T. D.
Published: October 2012

Food shortages and a lack of food supply regulation in developing countries often leads to chronic exposure of vulnerable populations to hazardous mixtures of mycotoxins, including aflatoxin B1 (AFB1) and fumonisin B1 (FB1). A refined calcium montmorillonite clay [i.e. uniform particle size NovaSil (UPSN)] has been reported to tightly bind these toxins, thereby decreasing bioavailability in humans and animals. Hence, our objectives in the present study were to examine the ability of UPSN to bind mixtures of AFB1 and FB1 at gastrointestinally relevant pH in vitro, and to utilize a rapid in vivo bioassay to evaluate AFB1 and FB1 toxicity and UPSN efficacy. Isothermal sorption data indicated tight AFB1 binding to UPSN surfaces at both pH 2.0 and 6.5, but substantially more FB1 bound at pH 2.0 than 6.5. Site‐specific competition occurred between the toxins when exposed to UPSN in combination. Importantly, treatment with UPSN resulted in significant protection to mycotoxin‐exposed hydra maintained at pH 6.9–7.0. Hydra were exposed to FB1, AFB1 and FB1/AFB1 combinations with and without UPSN. A toxic response over 92 h was rated based on morphology and mortality. Hydra assay results indicated a minimum effective concentration (MEC) of 20 µg ml–1 for AFB1, whereas the MEC for FB1 was not reached. The MEC for co‐exposure was 400 µg ml–1 FB1 + 10 µg ml–1 AFB1. This study demonstrates that UPSN sorbs both mycotoxins tightly at physiologically relevant pH levels, resulting in decreased bioavailability, and that a modified hydra bioassay can be used as an initial screen in vivo to predict efficacy of toxin‐binding agents. Copyright © 2012 John Wiley & Sons, Ltd.
MDTRA: A molecular dynamics trajectory analyzer with a graphical user interface
Authors: Popov Alexander V. , Vorobjev Yury N. , Zharkov Dmitry O.
Published: October 2012

Most of existing software for analysis of molecular dynamics (MD) simulation results is based on command‐line, script‐guided processes that require the researchers to have an idea about programming language constructions used, often applied to the one and only product. Here, we describe an open‐source cross‐platform program, MD Trajectory Reader and Analyzer (MDTRA), that performs a large number of MD analysis tasks assisted with a graphical user interface. The program has been developed to facilitate the process of search and visualization of results. MDTRA can handle trajectories as sets of protein data bank files and presents tools and guidelines to convert some other trajectory formats into such sets. The parameters analyzed by MDTRA include interatomic distances, angles, dihedral angles, angles between planes, one‐dimensional and two‐dimensional root‐mean‐square deviation, solvent‐accessible area, and so on. As an example of using the program, we describe the application of MDTRA to analyze the MD of formamidopyrimidine‐DNA glycosylase, a DNA repair enzyme from Escherichia coli. © 2012 Wiley Periodicals, Inc.
Accurate ab initio potential energy surface and vibration‐rotation energy levels of hydrogen peroxide
Authors: Małyszek Paweł , Koput Jacek
Published: October 2012

The accurate ground‐state potential energy surface of hydrogen peroxide, H2O2, has been determined from ab initio calculations using the coupled‐cluster approach in conjunction with the correlation‐consistent basis sets up to septuple‐zeta quality. Results obtained with the conventional and explicitly correlated coupled‐cluster methods were compared. The core–electron correlation, scalar relativistic, and higher‐order valence–electron correlation effects were taken into account. The adiabatic effects were also discussed. The vibration–rotation energy levels of the H2O2, D2O2, and HOOD isotopologues were predicted, and the experimental vibrational fundamental wavenumbers were reproduced to 1 cm−1 (“spectroscopic”) accuracy. © 2012 Wiley Periodicals, Inc.
Parallel variable selection of molecular dynamics clusters as a tool for calculation of spectroscopic properties
Authors: Kessler Jiří , Dračínský Martin , Bouř Petr
Published: October 2012

Clusters of a solute and a few solvent molecules obtained from molecular dynamics (MD) are a powerful tool to study solvation effects by advanced quantum chemical (QC) methods. For spectroscopic properties strongly dependent on the solvation, however, a large number of clusters are needed for a good convergence. In this work, a parallel variable selection (PVS) method is proposed that in some cases efficiently reduces the number of clusters needed for the averaging. The mass, charge, or atomic density MD distributions are used as a secondary variable to preselect the most probable cluster geometries used for averaging of solute spectral properties. When applied to nuclear magnetic resonance chemical shift of a model alcohol, the method allowed one to significantly reduce the total computational time, by a factor of 10. Even larger savings were achieved for the modeling of Raman and Raman optical activity spectra of (S)‐lactamide molecule dissolved in water. The results thus suggest that the PVS method can be generally used for simulations of spectroscopic properties of solvated molecules and makes multiscale MD/QC computations more affordable. © 2012 Wiley Periodicals, Inc.
Decreasing unnecessary utilization in acute bronchiolitis care: Results from the value in inpatient pediatrics network
Authors: Ralston Shawn , Garber Matthew , Narang Steve , Shen Mark , Pate Brian , Pope John , Lossius Michele , Croland Trina , Bennett Jeff , Jewell Jennifer , Krugman Scott , Robbins Elizabeth , Nazif Joanne , Liewehr Sheila , Miller Ansley , Marks Michelle , Pappas Rita , Pardue Jeanann , Quinonez Ricardo , Fine Bryan R. , Ryan Michael
Published: October 2012

BACKGROUND:

Acute viral bronchiolitis is the most common diagnosis resulting in hospital admission in pediatrics. Utilization of non–evidence‐based therapies and testing remains common despite a large volume of evidence to guide quality improvement efforts.

OBJECTIVE:

Our objective was to reduce utilization of unnecessary therapies in the inpatient care of bronchiolitis across a diverse network of clinical sites.

METHODS:

We formed a voluntary quality improvement collaborative of pediatric hospitalists for the purpose of benchmarking the use of bronchodilators, steroids, chest radiography, chest physiotherapy, and viral testing in bronchiolitis using hospital administrative data. We shared resources within the network, including protocols, scores, order sets, and key bibliographies, and established group norms for decreasing utilization.

RESULTS:

Aggregate data on 11,568 hospitalizations for bronchiolitis from 17 centers was analyzed for this report. The network was organized in 2008. By 2010, we saw a 46% reduction in overall volume of bronchodilators used, a 3.4 dose per patient absolute decrease in utilization (95% confidence interval [CI] 1.4–5.8). Overall exposure to any dose of bronchodilator decreased by 12 percentage points as well (95% CI 5%–25%). There was also a statistically significant decline in chest physiotherapy usage, but not for steroids, chest radiography, or viral testing.

CONCLUSIONS:

Benchmarking within a voluntary pediatric hospitalist collaborative facilitated decreased utilization of bronchodilators and chest physiotherapy in bronchiolitis. Journal of Hospital Medicine 2013. © 2012 Society of Hospital Medicine
Determination of azaarenes in oils using the LC‐APCI‐MS/MS technique: New environmental toxicant in food oils
Authors: Szterk Arkadiusz , Roszko Marek , Cybulski Adam
Published: October 2012

A novel method to determine of azaarenes in refined and cold‐pressed vegetable oils and animal fats is reported. The method may be used to determine eight most important acridine derivatives (benz[a]acridine, dibenz[a,i]acridine, benz[c]acridine, dibenz[a,j]acridine, 7,9‐dimethylbenz[c]acridine, dibenz[a,h]acridine, dibenz[a,c]acridine, dibenz[c,h]acridine) at a high sensitivity (LOQ in the 2–25 ng kg−1 range), high analyte recovery rates (70.7–98.7%), sufficient linearity within the studied concentration range (r > 0.97). The method is fast, simple, and needs no expensive clean‐up procedures to successfully determine the analytes. Azaarene concentration in the studied oil samples ranged from 2 to 250 ng kg−1. Benz[a]acridine and dibenz[a,j]acridine were the compounds found most commonly and at the highest concentrations. The observed concentrations most probably reflected levels of environmental contamination of raw materials used to produce the analyzed oil/fat samples.
Quantifier elimination for elementary geometry and elementary affine geometry
Authors: Grimson Rafael , Kuijpers Bart , Othman Walied
Published: October 2012

We introduce new first‐order languages for the elementary n‐dimensional geometry and elementary n‐dimensional affine geometry (n ≥ 2), based on extending \documentclass{article}\usepackage{amssymb}\begin{document}\pagestyle{empty}$\mathsf {FO}(\beta ,\equiv )$\end{document} and \documentclass{article}\usepackage{amssymb}\begin{document}\pagestyle{empty}$\mathsf {FO}(\beta )$\end{document}, respectively, with new function symbols. Here, β stands for the betweenness relation and ≡ for the congruence relation. We show that the associated theories admit effective quantifier elimination.
High‐performance a‐SiGe:H thin film prepared by plasma‐enhanced chemical vapor deposition with high plasma power for solar‐cell application
Authors: Yan Baojun , Zhao Lei , Zhao Bending , Chen Jingwei , Wang Guanghong , Diao Hongwei , Wang Wenjing
Published: October 2012

Hydrogenated amorphous silicon germanium (a‐SiGe:H) thin films were prepared by a 13.56‐MHz plasma‐enhanced chemical vapor deposition (PECVD) method. The optical, optoelectronic, and microstructure properties of the a‐SiGe:H thin films prepared with different plasma powers were investigated systematically by transmission, photo/dark conductivity, Raman, and Fourier transform infrared (FTIR) spectroscopy measurements. It was found that when the deposition pressure was high and the hydrogen (H2) dilution ratio ([H2]/([SiH4] + [GeH4])) was low, an appropriate high plasma power could enlarge the optical bandgap (Eg) by reducing the Ge content in the thin film, enhance the film photosensitivity by improving the film microstructure, and increase the film growth rate. As a demonstration, excellent a‐SiGe:H thin film with Eg of 1.5 eV, the photosensitivity of above 104 and a growth rate of 6.6 Å s−1 was successfully fabricated for the solar‐cell application with a plasma power density of 400 mW cm−2, a deposition pressure of 3 Torr, and a H2 dilution ratio equal to 3 at 220 °C. The underlying mechanism was further analyzed.
Interaction between Al–Si melt and dielectric layers during formation of local Al‐alloyed contacts for rear‐passivated Si solar cells
Authors: Uruena Angel , Horzel Jörg , John Joachim , Cornagliotti Emanuele , Eyben Pierre , Pfeiffer Martin , Vandervorst Wilfried , Poortmans Jef , Mertens Robert
Published: October 2012

The alloy formation between physical vapor deposited Al and Si at the rear side of the industrially applicable passivated emitter and rear solar cell has been investigated. New insights of sequential phases and phenomena like escape of gaseous bubbles from the melt and reduced surface wetting as a function of the applied temperature profile are documented by in situ light‐microscopic observation. A cross‐sectional analysis of the local contact formation is performed using scanning spreading resistance microscopy. During the melting phase, the interaction of Al and Si at locally opened areas in a dielectric layer stack, as well as the interaction between Al–Si melt and the dielectric layers is recorded with a video camera and analyzed. It was found out that the SiOx layer reacts with the Al–Si melt and that SiNy layer plays a fundamental role for the correct isolation of the solar cells.

magnified image

Typical shape of a locally alloyed Al–Si/Al‐BSF (back surface field) point contact in an i‐PERL Si solar cell with laser‐ablated openings in a dielectric stack that separates the Al cover layer from the Si bulk of the wafer.
Line beam processing for laser lift‐off of GaN from sapphire
Authors: Delmdahl Ralph , Pätzel Rainer , Brune Jan , Senczuk Rolf , Goßler Christian , Moser Rüdiger , Kunzer Michael , Schwarz Ulrich T.
Published: October 2012

Gallium nitride (GaN) layers grown on sapphire substrate wafers have been successfully separated using a novel line beam laser lift‐off (LLO) approach. The absorption of the 248 nm excimer laser radiation by the GaN through the sapphire wafer results in the formation of metallic gallium and nitrogen gas. The sapphire wafer was easily removable by heating above the gallium melting point. The metallic gallium phase has been inspected via diverse microscopic surface analysis techniques after line beam LLO processing. The measurements indicate that the sapphire separation process using line beam laser scanning has only a marginal impact on the structural quality of the GaN layer. Line beam LLO processing has inherent upscaling advantages over conventional square field LLO. Processing results are evaluated in view of aptness for mass production of high brightness light emitting diodes (HB‐LEDs).

magnified image

Differential interference contrast image of GaN film after 248‐nm LLO with line beam (A) and square beam (B).
Optical properties of self‐assembled monolayer of CdSe quantum dots
Authors: Yokota Hiroki , Shimura Kunio , Nakayama Masaaki , Kim DaeGwi
Published: October 2012

The temperature dependence of absorption, photoluminescence (PL), and PL dynamics of self‐assembled monolayers of CdSe quantum dots was investigated. The PL decay profiles become slower with an increase in temperature, contrary to an ordinary behaviour. We have revealed that such anomalous temperature dependence of the PL‐decay profile below 200 K is explained by a four‐state model consisting of a ground state, a bound‐exciton state, and two free‐exciton states of a lower‐lying dark‐exciton state and a higher‐lying bright‐exciton state (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Plasmonic circular dichroism using Au fine particles and riboflavin
Authors: Kosaka Yuuka , Egami Kazutaka , Tomita Satoshi , Yanagi Hisao
Published: October 2012

We report circular dichroism (CD) induced in the visible region using a composite film containing Au fine parti‐cles and riboflavin. It is revealed that binding of chiral molecules to the surface of Au fine particles is not necessary for the plasmon‐induced CD. Moreover, we find that composite films containing dye and glucose instead of Au fine particles and riboflavin induces a CD signal at the wavelength, where the dye shows an absorption peak. The polarity of the CD signal is reversed by using the enantiomer of glucose. Mechanism of the absorption‐induced CD in the visible region is discussed (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Photoluminescence in mineral‐derived titanosilicates with various Ti‐polyhedral types for rare‐earth free phosphor
Authors: Takahashi Yoshihiro , Iwasaki Kenichiro , Fujiwara Takumi
Published: October 2012

Usually, phosphor is composed by host crystal and doped rare‐earth ion which is an efficient luminescent centre. However, rare‐earth elements have considerably small Clarke number and are produced from specific area. Since titanate and silicate minerals are relatively deposited in the earth’s crust, we focused on titanosilicate mineral with excellent phololuminescent activity, e.g., benitoite and fresnoite. In this article, our recent results about synthesis of mineral‐related Ti‐including silicates and their PL property are introduced as a brief review. The origin and mechanism of the phololuminescent properties are also described (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Aqueous Extract of Yerba Mate Tea Lowers Atherosclerotic Risk Factors in a Rat Hyperlipidemia Model
Authors: Gao Hongli , Liu Zhaochun , Wan Wenju , Qu Xiaolan , Chen Meihua
Published: October 2012

Yerba Mate tea (Mate) is believed to be a natural source of cardioprotective lipid‐lowering and antioxidant compounds. In this study, the antihyperlipidemic and antioxidant effects of Mate tea in a rat hyperlipidemia model were investigated. Male Sprague‐Dawley rats were divided randomly into five groups and fed varying diets: standard diet, hyperlipidemic diet, and hyperlipidemic diet supplemented with low, moderate, or high concentrations of Mate tea aqueous extract (1%, 2%, and 4% w/v, respectively). Compared to the hyperlipidemic control group, Mate tea reduced significantly the total body weight and lowered serum levels of total cholesterol, triglyceride, and low‐density lipoprotein‐cholesterol, and caused the elevation of serum levels of high‐density lipoprotein‐cholesterol. Moreover, activities of superoxide dismutase and glutathione peroxidase in serum were elevated significantly, whereas the levels of malondialdehyde decreased. In addition, Mate tea treatment ameliorated significantly the severe fatty degeneration of liver cells that occurred in the hyperlipidemic groups. The relative levels of sterol regulatory element binding protein 1 and its target fatty acid synthase, as well as acetyl‐CoA carboxylase mRNA transcripts were reduced, whereas peroxisome proliferator‐activated receptor alpha mRNA transcripts were elevated in the Mate tea groups. Our results suggest that Mate tea exerts strong antioxidant and lipid‐lowering effects, prevents hepatic fatty deposition, and regulates the expression of lipid metabolic regulators. It can therefore be used to reduce the risk of atherosclerosis. Copyright © 2012 John Wiley & Sons, Ltd.
Doubly robust estimation, optimally truncated inverse‐intensity weighting and increment‐based methods for the analysis of irregularly observed longitudinal data
Authors: Pullenayegum Eleanor M. , Feldman Brian M.
Published: October 2012

Longitudinal data arising from routine follow‐up of patients will often have irregular measurement times. Existing methods for analysis include joint modelling of the outcome and measurement processes, and inverse‐intensity weighting (IIW). This work extends previously proposed analysis of increments to the case of irregular follow‐up, yielding a model for the increments that can be used as a stand‐alone method. Furthermore, we propose two ways of combining the increments and IIW estimators. First, we use the increment model to select the truncation point for the inverse‐intensity weights that minimises the mean squared error of the IIW estimator. Second, we use the increment model to augment the usual IIW estimating equations to form a doubly robust estimator. We evaluate the methods through simulation and apply these to a recent study of juvenile dermatomyositis. Copyright © 2012 John Wiley & Sons, Ltd.
Validation of the dynamic wake meander model for loads and power production in the Egmond aan Zee wind farm
Authors: Larsen Torben J. , Madsen Helge Aa. , Larsen Gunner C. , Hansen Kurt S.
Published: October 2012

This paper investigates wake effects on load and power production by using the dynamic wake meander (DWM) model implemented in the aeroelastic code HAWC2. The instationary wind farm flow characteristics are modeled by treating the wind turbine wakes as passive tracers transported downstream using a meandering process driven by the low frequent cross‐wind turbulence components. The model complex is validated by comparing simulated and measured loads for the Dutch Egmond aan Zee wind farm consisting of 36 Vestas V90 turbine located outside the coast of the Netherlands. Loads and production are compared for two distinct wind directions—a free wind situation from the dominating southwest and a full wake situation from northwest, where the observed turbine is operating in wake from five turbines in a row with 7D spacing. The measurements have a very high quality, allowing for detailed comparison of both fatigue and min–mean–max loads for blade root flap, tower yaw and tower bottom bending moments, respectively. Since the observed turbine is located deep inside a row of turbines, a new method on how to handle multiple wakes interaction is proposed. The agreement between measurements and simulations is excellent regarding power production in both free and wake sector, and a very good agreement is seen for the load comparisons too. This enables the conclusion that wake meandering, caused by large scale ambient turbulence, is indeed an important contribution to wake loading in wind farms. Copyright © 2012 John Wiley & Sons, Ltd.
From Zero‐dimensional to One‐dimensional: Use of Metal‐­Ligand Affinity in Supramolecular Assembly
Authors: Zhu Hai‐Bin , Shan Ru‐Yu , Yang Wen‐Na , Gou Shao‐Hua
Published: October 2012

The self‐assembly of 4‐MTPP [4‐MTPP = 2‐(methylthio)‐4‐(pyridin‐4‐yl)pyrimidine] with Cu(NO3)2 and AgNO3 was structurally investigated. For Cu(NO3)2, a discrete mononuclear CuII coordination compound, [Cu(4‐MTPP)2(NO3)2] (1), resulted that is exclusively based on Cu–N coordination. For AgNO3, a unique one‐dimensional double‐chain structure (2) was obtained with the Ag–N distances varying from 2.181(9) to 2.223(9) Å, and the average Ag–S distance being 2.98 Å. Compared to zero‐dimensional 1, the extension to one‐dimensional 2 is considered to result from the specific affinity between Ag+ and the ligand 4‐MTPP that is attributed to the strong coordinating tendency of silver for aromatic nitrogen and thioether sulfur atoms.
Sulfur‐linked Phenolates as Ligands for the Syntheses of Low‐Nuclearity Iron(III) Complexes
Authors: Metzinger Ramona , Limberg Christian
Published: October 2012

Exploiting thiacalix4arene and sulfur‐bridged bisphenolates as ligands for bioinorganic studies involving iron(III) requires the prior development of synthetic routes (varying substituents and reaction conditions) to construct complexes with low nuclearities and accessible coordination sites, which was in the focus of this investigation. Treating p‐tert‐butylthiacalix4arene (H4TC) and 1, 4‐dimethyl‐p‐tert‐butylthiacalix4arene (Me2H2TC) with Fe[N(SiMe3)2]3 yielded in the formation of the iron(III) complexes [(Me3SiTC)2Fe2] (1) and [(Me2TC)3Fe2] (3), respectively. While 1 is a sandwich compound, in 3 one [Me2TC]2– unit is bridging two [Me2TCFe]+ moieties. Employing thiobisphenolates as ligands it turned out, that in dependence on the residues R and the preparation method it is possible to selectively access sandwich, anionic or neutral complexes, which were shown to contain central high‐spin iron(III) atoms. The syntheses, structures, and electronic properties of three iron(III) bisphenolate complexes, [ClL2Fe]NEt3H (4), [MeLFeCl2]NEt3H (5), and [tBuLFeCl(thf)] (7) are discussed.
Alleviating the non-ultralocality of the AdS5 × S5 superstring
Authors: Delduc F. , Magro M. , Vicedo B.
Published: October 2012

Abstract

We generalize the initial steps of the Faddeev-Reshetikhin procedure to the AdS5 × S
5 superstring theory. Specifically, we propose a modification of the Poisson bracket whose alleviated non-ultralocality enables to write down a lattice Poisson algebra for the Lax matrix. We then show that the dynamics of the Pohlmeyer reduction of the AdS5 × S
5 superstring can be naturally reproduced with respect to this modified Poisson bracket. This work generalizes the alleviation procedure recently developed for symmetric space σ- models. It also shows that the lattice Poisson algebra recently obtained for the AdS5 × S
5 semi-symmetric space sine-Gordon theory coincides with the one obtained by the alleviation procedure.
Effect of Mid-infrared Free-Electron Laser Irradiation on Refolding of Amyloid-Like Fibrils of Lysozyme into Native Form
Authors: Kawasaki Takayasu , Fujioka Jun , Imai Takayuki , Tsukiyama Koichi
Published: October 2012

Aggregation of lysozyme in an acidic solution generates inactive amyloid-like fibrils, with a broad infrared peak appearing at 1,610–1,630 cm−1, characteristic of a β-sheet rich structure. We report here that spontaneous refolding of these fibrils in water could be promoted by mid-infrared free-electron laser (mid-IR FEL) irradiation targeting the amide bands. The Fourier transform infrared spectrum of the fibrils reflected a β-sheet content that was as low as that of the native structure, following FEL irradiation at 1,620 cm−1 (amide I band); both transmission-electron microscopy imaging and Congo Red assay results also demonstrated a reduced fibril structure, and the enzymatic activity of lysozyme fibrils recovered to 70–90 % of the native form. Both irradiations at 1,535 cm−1(amide II band) and 1,240 cm−1 (amide III band) were also more effective for the refolding of the fibrils than mere heating in the absence of FEL. On the contrary, either irradiation at 1,100 or 2,000 cm−1 afforded only about 60 % recovery of lysozyme activity. These results indicate that the specific FEL irradiation tuned to amide bands is efficient in refolding of lysozyme fibrils into native form.
Spatial and Racial Patterning of Real Estate Broker Listings in New York City
Authors: Kwate Naa Oyo A. , Goodman Melody S. , Jackson Jerrold , Harris Julen
Published: October 2012

It has been well documented that Black homeseekers face discrimination in the housing market in the form of racial steering and other institutional policies and practices that are critical in limiting housing access. Less is known about the mechanisms that operate on the other side of real estate transactions to perpetuate racially segregated neighborhoods. We investigated whether White and Black brokers face segregation in the housing market. That is, to what extent do White and Black brokers differentially market property listings in neighborhoods of varying racial composition? Using real estate listings extracted from the websites of two of the largest New York City real estate brokerages, we examined whether Black and White brokers market properties primarily in Black and White neighborhoods, respectively; and whether, controlling for gender and experience level, Black brokers had a lower average price per square foot than White brokers. Results showed that Black brokers overwhelmingly marketed properties in Black neighborhoods, with fewer listings in White areas. Black brokers also marketed properties with an average price per square foot that was $197 lower than White brokers. Black brokers who worked in offices in Black neighborhoods had the lowest asking price of all brokers. Taken together, Black and White real estate brokers control a bifurcated market in NYC, perpetuating residential segregation and Black-White income and wealth disparities.
Racial Position Segregation in Intercollegiate Football: Do Players become more Racially Segregated as they Transition from High School to College?
Authors: Pitts Joshua D. , Yost Daniel M.
Published: October 2012

This study revisits the issue of racial position segregation or racial “stacking” in intercollegiate football. Estimating a probit model, we examine the impact that a player's race has on the probability of him changing positions when he moves from high school to the collegiate ranks. Descriptive statistics of our data reveal significant evidence that racial position segregation is widespread in high school football. The data also offers much information about which players are likely to change positions and the positions that they are likely to switch to when transitioning from high school to college. Most notably, our probit results reveal that African American high school quarterbacks and white high school running backs are significantly more likely to change positions in college than their white and African American counterparts, respectively. Thus, while other positions do not appear to become more racially segregated as players transition from high school to college, the quarterback and running back positions do appear to become significantly more racially segregated.