bluuebunny/crossref_metadata_2025 huggingface dataset:
Theoretical and experimental studies on electronic structure, cocrystallization, and intramolecular proton transfer of two tautomers: (E)‐2‐{[2‐(hydroxymethyl)phenylimino]methyl}‐5‐methoxyphenol and (Z)‐6‐{[2‐(hydroxymethyl)phenylamino] methylene}‐3‐methoxy‐cyclohexa‐2, 4‐dienone
Authors: Koşar Başak , Albayrak Çiǧdem , Odabaşoǧlu Mustafa , Büyükgüngör Orhan
Published: October 2010

In this work, the structure of (E)‐2‐{[2‐(hydroxymethyl) phenylimino]methyl}‐5‐methoxyphenol was characterized by X‐ray single crystal diffraction technique, infrared spectroscopy, and quantum chemical computational methods as both experimental and theoretically. The compound crystallizes in the triclinic space group P1 with a = 9.4601 (5) Å, b = 11.7273 (7) Å, c = 12.4400 (8) Å, α = 88.179 (5)°, β = 71.442 (4)°, γ = 84.977 (5)°, and Z = 4. X‐Ray study shows that both enol–imine and keto–amine tautomeric forms coexist in the asymmetric unit as two independent molecules. The molecular geometry was also optimized at the B3LYP/6‐311G(d,p) level by using density functional theory started from the crystallographically achieved parameters of molecule. From the optimized geometry of the molecule, molecular electrostatic potential was evaluated, frontier molecular orbitals and natural bond orbital analysis were performed, and vibrational frequencies were computed theoretically. The polarizable continuum model calculations starting from the optimized geometry were also carried out in both gaseous and solution phase to investigate the energetic behavior and dipole moment of the title compound with the same level of theory. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Substituent effect on structure, electron density, and intramolecular hydrogen bonding in nitroso‐oxime methane
Authors: Yoosefian Mehdi , Raissi Heidar , Nadim Emad Saleh , Farzad Farzaneh , Fazli Mustapha , Karimzade Elham , Nowroozi Alireza
Published: October 2010

Density functional calculations with Beck's three‐parameter hybrid method using the correlation functional of Lee, Yang, and Parr (B3LYP) were carried out for investigation of the intramolecular hydrogen bond strength in Nitroso‐oxime methane and its derivatives. Also, vibrational frequencies for them were calculated at the same level of theory. The π‐electron delocalization parameter (Q) and as a geometrical indicator of a local aromaticity, the geometry‐based harmonic oscillator measure of aromaticity index has been applied. Additionally, the linear correlation coefficients between substituent constants and selected parameters in R position have calculated. The obtained results show that the hydrogen bond strength is mainly governed by the resonance variations inside the chelate ring induced by the substituent groups. The topological properties of the electron density distributions for OH···O intramolecular bridges have been analyzed in terms of the Bader theory of atoms in molecules (AIM). Correlations between the H‐bond strength and topological parameters have been also studied. The electron density (ρ) and Laplacian (∇2ρ) properties, estimated by AIM calculations, show that O···H bond have low ρ and negative (∇2ρ) values (consistent with covalent character of the HBs), whereas OH bond have positive (∇2ρ) Furthermore, the analysis of hydrogen bond in this molecule and its derivatives by quantum theory of natural bond orbital (NBO) methods fairly support the ab initio results. Natural population analysis data, the electron density, and Laplacian properties as well as υ(OH) and γ(OH) were further used for estimation of the hydrogen bonding interactions and the forces driving their formation. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
DFT and Ab initio computational study on the reactivity sites of the GABA and its agonists, such as CACA, TACA, DABA, and muscimol: In the gas phase and dielectric media
Authors: Serdaroğlu Goncagül
Published: October 2010

The reactive behavior of GABA and its agonist molecules have been investigated using B3LYP hybrid density functional method at the 6‐311++G** basis set level, in the gas phase and dielectric media. The calculations have been performed to obtain optimized geometries, relative energies, net atomic charges, HOMO, and LUMO energies. Solvent effects have been analyzed using isodensity polarized continuum model (IPCM) for four different solvents, which are chloroform, ethanol, DMSO, and H2O. The results have suggested that both the amino group and carboxyl group have been two of the most important active site for interactions between all compounds and their receptors. In addition they have suggested that the amino group reflects the difference in biological activity for each all molecules. The structures of these agonists have provided an essential foundation for subsequent structure‐activity analysis of ligand binding at GABA receptors, neuronal uptake inhibitors and transporters. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Analysis of the nitrile and methyl torsional vibrations of n‐propyl cyanide in its S0 electronic state
Authors: Castro M. E. , Muñoz‐Caro C. , Niño A.
Published: October 2010

This work presents a structural and vibrational theoretical study of n‐propyl cyanide as a function of the nitrile and methyl torsional modes. A potential energy hypersurface is built at the MP4(SDQ)/aug‐cc‐pVTZ//MP2/aug‐cc‐pVTZ theory level. The equilibrium structure is found in a gauche conformation. Another minimum is found for the trans form. The maximum appears in a cis conformation. For the first time, the interconversion barriers between the different forms are calculated. A two‐dimensional anharmonic vibrational Hamiltonian is built for the nitrile and methyl torsional modes. We find the vibrational energy levels to organize in two stacks associated to the gauche and trans forms. Fundamental frequencies of 113.12 and 220.54 cm−1 are predicted for the nitrile and methyl torsions in the equilibrium, gauche, conformer. In addition, we find symmetry allowed transitions between the gauche and trans energy levels stacks. The lowest transition is predicted to appear at 24.49 cm−1. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Theoretical investigation on the IR spectra of four‐membered silicon oxide ring
Authors: Mhin Byung Jin , Seo Hyun‐Il , Kim Seung‐Joon
Published: October 2010

To test the mass effect on the ring vibrational frequencies (SiO2) shift of the four‐membered silicon oxide ring, the deuterium and the tritium substituted cyclodisiloxanes on the hydrogen positions are examined at the CCSD(T)/cc‐pVTZ level of theory. The SiO2 ring vibrations for a silicon oxide surface model compound, substituted cyclodisiloxane (Si3O5O2Si3O5) with two six‐membered ring, are also calculated at the B3LYP/cc‐pVTZ level of theory. Our results of 909 and 920 cm−1 are in good agreement with the experimental result. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Steric and electronic effects on the heterolytic H2‐splitting by phosphine‐boranes R3B/PR′3(R = C6F5, Ph; R′ = C6H2Me3,tBu, Ph, C6F5, Me, H): A computational study
Authors: Gao Shulin , Wu Wei , Mo Yirong
Published: October 2010

The steric and electronic effects exerted by the substituents R/R′ on the heterolytic H2‐splitting by phosphine‐boranes R3B/PR′3[R = C6F5(1), Ph (2); R′ = C6H2Me3(a),tBu (b), Ph (c), C6F5(d), Me (e), H (f)] have been studied by performing quantum mechanical density functional theory and RI‐MP2 calculations. Energy decomposition analyses based on the block‐localized wavefunction method show that the nature of the interaction between R3B and PR′3is strongly dependent on the BP distance. With short BP distances (∼2.1 Å), the strength of Lewis pairs results from the balance among various energy terms, and both strong and weak dative bonds can be found in this group. However, at long BP distances (>4.0 Å), the correlation and dispersion energy (ΔEcorr) dominates. In other words, the van der Waals (vdW) interaction rules these weakly bound complexes. No ion‐pair structures of1fand2c–2fcan be located as they instantly converge to vdW complexes R3B···H2···PR′3. We thus propose a model, which predicts that when the sum (Ehp) of the hydride affinity (HA) of BR3and the proton affinity (PA) of PR′3is higher than 340.0 kcal/mol, the ion‐pair [R3BH−][HPR′] can be observed, whereas withEhpbelow this value, the ion pair would instantly undergo the combination of proton and hydride with the release of H2. The overall reaction energies (1a–1eand2a–2b) can be best described by a fitting equation with HA(BR3), PA(PR′3), and the binding energy ΔEb(BR3/PR′3) as predictor variables: ΔER([R3BH−][HPR′]) = −0.779HA(BR3) − 0.695PA(PR′3) − 1.331 ΔE(BR3/PR′3) + 245.3 kcal/mol. The fitting equation provides quantitative insights into the steric and electronic effects on the thermodynamic aspects of the heterolytic H2‐splitting reactions. The electronic effects are reflected by HA(BR3) and PA(PR′3), and ΔEbcan be significantly influenced by the steric overcrowding. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Molecular dynamics simulation of ionic transport on molten Li–KCl interface
Authors: Duan Xiao‐Hui , Li Jian‐Feng , Zhu Wen‐Jun
Published: October 2010

A molecular dynamics study is performed to determine the dynamics and transport properties of the ions on the molten interface between anode metal Li and electrolyte KCl. Radial distribution function of the ionic pair and the behavior of the mean‐square displacement (MSD) as a function of time (t) indicate that KCl and metal Li are in the molten state at 2,200 K in the canonical ensemble. The dynamics of the ionic transport are characterized by studying MSD for the centers of mass of the ions at different temperatures. Diffusion coefficient is evaluated from the linear slope of the MSD (t) function in the range of 0–500 ps. The MSD and diffusion coefficient of the Li+ ions are much larger than those of the Cl− and K+ ions due to the difference in ionic characteristic. The transport process has been dominated by the Li+ ions on the molten interface and the Li+ ions are main charge carriers. The energy barrier of the Li+ ions transporting into the molten KCl is fitted to be 5.28 kcal/mol in the light of the activation model. The electrical conductivity of the Li+ ions transporting into the molten KCl are calculated from the Nernst–Einstein formula to be in the range of 0.2–0.3 S cm−1. The current density resulted from the Li+ ions through the interface are estimated to be an order of 106 A cm−2, which may be the value corresponding to a larger concentration gradient of the Li+ ions. Simulated results at different temperatures show that the diffusion coefficient, conductivity and current density have increased with the temperature. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
A density functional theory study on the Diels‐Alder reactions with vinylallenes as dienes
Authors: Li Zhi‐Ming , Wang Quan‐Rui
Published: October 2010

The Diels‐Alder (DA) reactions of vinylallenes (VA) with ethylenes were investigated using the global electrophilicity and nucleophilicity of the corresponding reactants as global reactivity indexes defined within the conceptual density functional theory. The reactivity and regioselectivity of these reactions were predicted by analysis of the energies, geometries, and electronic nature of the transition‐state structures. In general, substitution by the electron‐accepting acetyl group favors the reaction, whereas substitution by the electron‐releasing methoxy group provides the opposite effect, regardless of being on VA or ethylene. However, the substitution effect in ethylene is apparently greater than that in VA. It has also been disclosed that substitution by electron‐accepting group on both reactants accelerates the reaction, and the reaction may give different regioselectivity from that between VA and acetyl‐substituted ethylene. This has also been verified by our experiments. It seems that the DA reactions with VAs as the diene components can generally be classified as nonpolar asynchronous with the endo product formation (wherever possible) being more pronounced. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Exploring the reciprocal causal relationship between job strain and burnout: A longitudinal study of apparently healthy employed persons
Authors: Melamed Samuel , Armon Galit , Shirom Arie , Shapira Itzhak
Published: October 2010

We used a full‐panel longitudinal design to investigate the hypotheses that changes in the components of the Job Demand‐Control‐Support (JDC‐S) model predict changes in burnout over time, and vice versa. The study was conducted on a multi‐occupational sample of apparently healthy employed men and women (N = 986), followed‐up after 3 years. We found support for both direct and reverse causal relationship between the study variables. Changes over time in the JDC‐S components and changes over time in burnout levels mutually influenced each other. No interactive effects among the JDC‐S components in the prediction of burnout were found. These findings suggest a predominance of the direct casual relationship between work characteristics and burnout compared with the reverse relationship. The findings remained significant even after controlling for depressive symptoms, neuroticism and other potential confounding variables. An explanation for the dynamic association between work characteristics and burnout uncovered here is offered based on the Conservation of Resources (COR) theory. Based on the COR theory, we outline the theoretical implications of our findings and their relevance for efforts to combat burnout. Copyright © 2010 John Wiley & Sons, Ltd.
Surface‐Induced Synthesis and Self‐Assembly of Metal Suprastructures
Authors: Li Shaozhou , Huang Xiao , Li Hai , Cai Hui , Gan Chee Lip , Boey Freddy , Zhang Hua
Published: October 2010

A systematic study on the synthesis of a series of self‐assembled suprastructures, such as cubes, stars, belts, and microspheres, of Ag nanoparticles (AgNPs) in borosilicate glassware heavily cleaned with aqua regia is presented. These self‐assembled structures are mostly formed from the crystallographically iso‐oriented AgNPs, and exhibit well‐defined shapes. In regular washed glassware, only Ag nanowires are synthesized. The formation mechanisms of these self‐assembled Ag structures, based on monitoring of their structural evolution in glassware decorated with different molecules, are proposed. This work not only demonstrates that the surface energy of glassware can affect chemical synthesis, but also provides an interesting approach to the shape‐controlled synthesis of novel self‐assembled suprastructures of AgNPs, which could be potentially used as synthesis templates, drug vessels, and microreactors.
Immobilization of urease on dialdehyde porous starch
Authors: Luo Zhigang , Fu Xiong
Published: October 2010

Dialdehyde porous starch (DPS) was prepared by enzymatic hydrolysis and periodate oxidation. Urease was immobilized on DPS by several techniques including physical adsorption and covalent bonding. Optimum urease immobilization conditions for maximum enzyme activity were shown as following: immobilization pH 6.0, processing time of immobilization 25 h, immobilization temperature 25°C, aldehydic groups content 79.6% and ratio of supporter to urease 1:2 (w/v in g/mL). Temperature optimum of the free and immobilized urease were 60 and 70°C, respectively. The temperature curve of the immoblized urease was wider than that registered for the free urease. After being stored at ambient temperature for 42 days, the immobilized urease retained almost all of the original activity. DPS was found capable of holding the urease enzyme during a repeated cyclic test for ten times. An increase of the Km value for the immobilized urease was found. The foregoing data indicated that DPS is a fine supporter for urease and provided a basis for biosensor or bioreactor development with reduced costs and improved shelf life.
An abstract model of service discovery and binding
Authors: Fiadeiro José Luiz , Lopes Antónia , Bocchi Laura
Published: October 2010

We propose a formal operational semantics for service discovery and binding. This semantics is based on a graph-based representation of the configuration of global computers typed by business activities. Business activities execute distributed workflows that can trigger, at run time, the discovery, ranking and selection of services to which they bind, thus reconfiguring the workflows that they execute. Discovery, ranking and selection are based on compliance with required business and interaction protocols and optimisation of quality-of-service constraints. Binding and reconfiguration are captured as algebraic operations on configuration graphs. We also discuss the methodological implications that this model framework has on software engineering using a typical travel-booking scenario. To the best of our knowledge, our approach is the first to provide a clear separation between service computation and discovery/instantiation/binding, and to offer a formal framework that is independent of the SOA middleware components that act as service registries or brokers, and the protocols through which bindings and invocations are performed.
A potential nitrergic mechanism of action for indomethacin, but not of other COX inhibitors: relevance to indomethacin-sensitive headaches
Authors: Summ Oliver , Andreou Anna P. , Akerman Simon , Goadsby Peter J.
Published: October 2010

Non-steroidal anti-inflammatory drugs (NSAIDs) that act as cyclo-oxygenase (COX) inhibitors are commonly used in the treatment of a range of headache disorders, although their mechanism of action is unclear. Indomethacin is of particular interest given its very special effect in some primary headaches. Here the in vivo technique of intravital microscopy in rats has been utilised as a model of trigeminovascular nociception to study the potential mechanism of action of indomethacin. Dural vascular changes were produced using electrical (neurogenic) dural vasodilation (NDV), calcitonin gene-related peptide (CGRP) induced dural vasodilation and nitric oxide (NO) induced dural vasodilation using NO donors. In each of these settings the effect of intravenously administered indomethacin (5 mg kg−1), naproxen (30 mg kg−1) and ibuprofen (30 mg kg−1) was tested. All of the tested drugs significantly inhibited NDV (between 30 and 52%). Whilst none of them was able to inhibit CGRP-induced dural vasodilation, only indomethacin reduced NO induced dural vasodilation (35 ± 7%, 10 min post administration). We conclude NSAIDs inhibit release of CGRP after NDV without an effect on CGRP directly. Further we describe a differentiating effect of indomethacin inhibiting nitric oxide induced dural vasodilation that is potentially relevant to understanding its unique action in disorders such as paroxysmal hemicrania and hemicrania continua.
Ovarian function in girls and women with GALT‐deficiency galactosemia
Authors: Fridovich‐Keil Judith L. , Gubbels Cynthia S. , Spencer Jessica B. , Sanders Rebecca D. , Land Jolande A. , Rubio‐Gozalbo Estela
Published: October 2010

Primary or premature ovarian insufficiency (POI) is the most common long‐term complication experienced by girls and women with classic galactosemia; more than 80% and perhaps more than 90% are affected despite neonatal diagnosis and careful lifelong dietary restriction of galactose. In this review we explore the complexities of timing and detection of galactosemia‐associated POI and discuss potential underlying mechanisms. Finally, we offer recommendations for follow‐up care with current options for intervention.
Marked geographic aggregation of acute intermittent porphyria families carrying mutation Q180X in Venezuelan populations, with description of further mutations
Authors: Paradisi Irene , Arias Sergio
Published: October 2010

Acute intermittent porphyria (AIP) caused by mutations in the hydroxymethylbilane synthase gene (HMBS), has been reported in almost all human populations, with varying frequencies. A founder effect for a few specific mutations in geographic regions where prevalence is high (Sweden, The Netherlands, Switzerland) has been established through haplotype analyses, while some other mutations (R26H, R26C) have been repeatedly reported in many populations with different genetic backgrounds. Epidemiological, biochemical and molecular data on AIP in Venezuela were gathered during the last two decades; 24 independent families with AIP were ascertained, based on a deficient HMBS activity and increased porphobilinogen (PBG) urinary excretion. Molecular analyses of coding and splicing regions were performed in 23 families, to establish disease‐causing changes, and haplotype analyses were used to assess ancestral kinships between them. Changes were detected in 16 out of 23 families, 9 of them being different: R26H, R26C, c.87+5G>A, c.267‐54_61delgaaggggt, R116W, Q180X, c.825+1G>A, c.913‐1delG, and 3′ UTR *277G>A. Seven mutations were found, each one in a single family; one mutation was present in two unrelated families, whereas mutation Q180X was shared by 7 independent kindreds, all of which had the same haplotype (‐);T;A;T;G;T;A;G (3167delG; 3530T>C; 3581A>G; 3982T>C; 6479G>T; 7052T>C; 7064A>C; 7779G>A). Six out of seven different Q180X carrier families came from the same geographic focus (Santa Lucía, Miranda State). Dense geographic aggregation with one identical haplotype strongly suggests a remote founder phenomenon for these Venezuelan AIP families, carrying an unreported but most frequent mutation.
Dispositional, ecological and biological influences on adolescent tranquilizer, Ritalin, and narcotics misuse
Authors: Fleary Sasha A. , Heffer Robert W. , McKyer E. Lisako J.
Published: October 2010

The primary purpose of this study was to examine the extent to which two of the three sources of risk‐taking—dispositional and ecological—in adolescence and demographic variables were related to Ritalin, tranquilizer and narcotics misuse. The secondary aim of this study was to distinguish subgroups of Ritalin, tranquilizer, and narcotics misusers using dispositional, ecological and demographic variables. An archival dataset containing 1672 participants (11–18 years old) was used. Ritalin, tranquilizer, and narcotics misuse were dichotomized and hierarchical logistic regressions were computed for dispositional and ecological sources of risk‐taking and demographics. To distinguish subgroups of misusers, hierarchical multinomial regressions were computed. Dispositional, ecological, and demographic variables were related to Ritalin, tranquilizer, and narcotics misuse and distinguished among non‐users, experimenters/occasional misusers, and frequent misusers. Prescription drug prevention programs should incorporate demographic, dispositional, and ecological variables and should parallel the guidelines currently used for developing effective substance abuse prevention programs.
Mitochondrial DNA (mtDNA) and schizophrenia
Authors: Verge B. , Alonso Y. , Valero J. , Miralles C. , Vilella E. , Martorell L.
Published: October 2010

The poorly understood aetiology of schizophrenia is known to involve a major genetic contribution even though the genetic factors remain elusive. Most genetic studies are based on Mendelian rules and focus on the nuclear genome, but current studies indicate that other genetic mechanisms are probably involved. This review focuses on mitochondrial DNA (mtDNA), a maternally inherited, 16.6-Kb molecule crucial for energy production that is implicated in numerous human traits and disorders. The aim of this review is to summarise the studies that have explored mtDNA in schizophrenia patients and those which provide evidence for its implication in this illness. Alterations in mitochondrial morphometry, brain energy metabolism, and enzymatic activity in the mitochondrial respiratory chain suggest a mitochondrial dysfunction in schizophrenia that could be related to the genetic characteristics of mtDNA. Moreover, evidence of maternal inheritance and the presence of schizophrenia symptoms in patients suffering from a mitochondrial disorder related to an mtDNA mutation suggest that mtDNA is involved in schizophrenia. The association of specific variants has been reported at the molecular level; however, additional studies are needed to determine whether the mitochondrial genome is involved in schizophrenia.
The role of deubiquitinating enzymes in chromatin regulation
Authors: Atanassov Boyko S. , Koutelou Evangelia , Dent Sharon Y.
Published: October 2010

Post‐translational modifications of the histones are centrally involved in the regulation of all DNA‐templated processes, including gene transcription, DNA replication, recombination, and repair. These modifications are often dynamic, and their removal is just as important as their addition in proper regulation of cellular functions. Although histone acetylation/deacetylation and histone methylation/demethylation are highly studied, the functions and regulation of histone ubiquitination and deubiquitination are less well understood. This review highlights our current understanding of how histone ubiquitination impacts gene transcription, DNA repair, and cell cycle progression, and stresses the importance of deubiquitinases to normal cellular functions as well as to disease states such as cancer.
The nuclear ATPase/adenylate kinase hCINAP is recruited to perinucleolar caps generated upon RNA pol.II inhibition
Authors: Malekkou Anna , Lederer Carsten W. , Lamond Angus I. , Santama Niovi
Published: October 2010

MINT‐8048545: hCINAP (uniprotkb:Q9Y3D8) and PSP1 (uniprotkb:Q8WXF1) colocalize (MI:0403) by fluorescence microscopy (MI:0416)
Wilms’ tumor protein Wt1 regulates the Interleukin‐10 (IL‐10) gene
Authors: Sciesielski Lina K. , Kirschner Karin M. , Scholz Holger , Persson Anja Bondke
Published: October 2010

We identified the Wilms’ tumor protein, Wt1, as a novel transcriptional activator of the immunosuppressant cytokine interleukin‐10 (IL‐10). Silencing of Wt1 by RNA interference reduced IL‐10 mRNA levels by approximately 90%. IL‐10 transcripts were increased more than 15‐fold upon forced expression of Wt1. Electrophoretic mobility shift assay and chromatin immunoprecipitation revealed a cis‐element that was responsible for activation of the IL‐10 promoter by Wt1 in murine macrophages. Mutation of the Wt1 binding motif abrogated stimulation of the IL‐10 promoter by tumor necrosis factor‐α (TNFα). These results suggest a novel immune regulatory function of Wt1 in controlling IL‐10 gene expression.
Inhibition of NF‐κB induces a switch from CD95L‐dependent to CD95L‐independent and JNK‐mediated apoptosis in T cells
Authors: Kießling Michael K. , Linke Björn , Brechmann Markus , Süss Dorothee , Krammer Peter H. , Gülow Karsten
Published: October 2010

NF‐κB is a crucial transcription factor regulating apoptosis sensitivity and resistance. It has been shown that inhibition of NF‐κB in T lymphocytes leads to sensitization towards apoptosis. The underlying molecular mechanism is not entirely understood. Therefore, we investigated T cell receptor (TCR) stimulated apoptosis in T cells in which NF‐κB activity is blocked by an inhibitor or IκBα overexpression. We show that enhanced apoptosis upon TCR stimulation is caspase‐ and JNK‐dependent, but independent of the CD95/CD95L system. Generation of reactive oxygen species (ROS) induced sustained JNK phosphorylation by inactivation of MAP kinase phosphatase 7 (MKP7). Sustained JNK activation causes upregulation of the pro‐apototic protein BIM. Thus, inhibition of NF‐κB causes a switch from classical activation‐induced cell death (AICD) to CD95L‐independent apoptosis.
A multidimensional association approach to sequential consumer judgments
Authors: Sleeth‐Keppler David , Wheeler S. Christian
Published: October 2010

This article shows that consumer contexts can activate multidimensional associations that determine when accessible constructs influence judgment. Four experiments showed that exposure to consumer products (e.g., Ferrari) can activate constructs (e.g., expensive) that influence judgments of targets along that dimension, but only when an additional associated construct (e.g., foreign) matches features of the target (e.g., when the target is foreign). The effects were observed across multiple domains and held when exposure to the products was only incidental. The effects were moderated by the salience of the associated construct in the judgment target.
Feline Toxicological Emergencies: When to Suspect and what to do
Authors: Grave Tobias W , Boag Amanda K
Published: October 2010

Practical relevance Confirmed or suspected intoxications with a wide variety of agents represent a small but important group of feline emergency cases. Generally it is thought that toxicities are less common in cats compared with dogs, with a higher proportion relating to dermal as opposed to oral exposure.

Clinical challenges Once toxicity is suspected or diagnosed, it must be recognised that treatment regimes may need modification compared with those established for dogs. Different drugs or different dosages may be warranted and the choice of available drugs may be reduced.

Evidence base This review draws on published studies, case reports and clinical experience to summarise key features of the general management of the intoxicated feline patient before describing some of the more serious and common intoxications in more detail.

Audience The focus throughout the review is on the peculiarities of feline metabolism and how they may impact on presentation and treatment. The aim is to assist companion animal and feline practitioners, who are in the frontline when it comes to managing these emergency cases.
Successful Treatment of Small Intestinal Volvulus in Two Cats
Authors: Knell Sebastian C , Andreoni Angelo A , Dennler Matthias , Venzin Claudio M
Published: October 2010

Background Mesenteric volvulus describes a torsion of the small intestine around the mesenteric root, which can be partial or complete. In dogs, it is an uncommon condition, with German shepherd dogs showing a predisposition. Chronic mesenteric volvulus has also been described. In cats, previous reports have documented two cases of small intestinal volvulus, both diagnosed at necropsy, and a further case of volvulus of the colon in a patient that died after surgery.

Clinical significance This report describes two cats with mesenteric volvulus that were successfully treated. To the authors' knowledge, no reports of antemortem diagnosis or treatment of small intestinal volvulus in cats have previously been published. On the basis of the cases presented, it appears that the diagnosis of intestinal volvulus may be more difficult in cats than in dogs, but that the prognosis may not be as poor. Therefore, it is suggested that owners be encouraged to pursue surgery.
The Obesity Epidemic: Scope of the Problem and Management Strategies
Authors: Graves Barbara W.
Published: October 2010

As the obesity epidemic increases, primary care clinicians are encountering obesity and health problems associated with obesity more frequently than ever before. In 2007, 41% of women were classified as obese, with a body mass index (BMI) of 30 or higher. Non‐Hispanic blacks and Hispanics are more likely to be obese than white, non‐Hispanics. A wide spectrum of health problems has been associated with obesity, including cardiovascular disease, diabetes, metabolic syndrome, osteoarthritis, and polycystic ovary syndrome. Obesity has been shown to be a low‐grade inflammatory state, which may be responsible for many of the comorbidities. The general consensus recommends screening for obesity and counseling to promote weight loss. In some cases, pharmacotherapy and or bariatric surgery may be recommended.
Labor Unions, Operating Flexibility, and the Cost of Equity
Authors: Chen Huafeng Jason , Kacperczyk Marcin , Ortiz-Molina Hernán
Published: October 2010

We study whether the constraints on firms’ operations imposed by labor unions affect firms’ costs of equity. The cost of equity is significantly higher for firms in more unionized industries. This effect holds after controlling for several industry and firm characteristics, is robust to endogeneity concerns, and is not driven by omitted variables. Moreover, the unionization premium is stronger when unions face a more favorable bargaining environment and is highly countercyclical. Unionization is also positively related to various measures of operating leverage. Our findings suggest that labor unions increase firms’ costs of equity by decreasing firms’ operating flexibility.
Measurements in the near-wall region of a boundary layer over a wall with large transverse curvature
Authors: KRANE M. H. , GREGA L. M. , WEI T.
Published: October 2010

Measurements of the near-wall velocity field of the flow over cylinders aligned with a uniform flow are presented. The broader objective of this investigation was to quantify and understand the role of transverse curvature in the limit as cylinder diameter approaches zero. The specific goal was to begin with a turbulent boundary layer over a larger radius cylinder and see what happens as the radius is reduced. Spatially and temporally resolved digital particle image velocimetry (DPIV) measurements were made on three different radius cylinders, 0.14 cm ≤a≤ 3.05 cm, extending along the length of a large free-surface water tunnel. Mean and fluctuating profiles are presented at a fixed streamwise location and free-stream speed. For the first time, spatially resolved measurements were made very close to the wall, permitting direct determination of wall shear stress, i.e.uτ, from near-wall velocity profiles. The measurements revealed a region close to the wall for small radii where the mean streamwise velocity profile is inflectional. This has significant implications on assumptions regarding what happens in the limit of a vanishing cylinder radius.
Heat transport and the large-scale circulation in rotating turbulent Rayleigh–Bénard convection
Authors: ZHONG JIN-QIANG , AHLERS GUENTER
Published: October 2010

Measurements of the Nusselt number Nu and of properties of the large-scale circulation (LSC) for turbulent Rayleigh–Bénard convection are presented in the presence of rotation about a vertical axis at angular speeds 0 ≤ Ω ≲ 2 rad s−1. The sample chamber was cylindrical with a height equal to the diameter, and the fluid contained in it was water. The LSC was studied by measuring sidewall temperatures as a function of azimuthal position. The measurements covered the Rayleigh-number range 3 × 108 ≲ Ra ≲ 2 × 1010, the Prandtl-number range 3.0 ≲ Pr ≲ 6.4 and the Rossby-number range 0 ≤ (1/Ro ∝ Ω) ≲ 20. At modest 1/Ro, we found an enhancement of Nu due to Ekman-vortex pumping by as much as 20%. As 1/Ro increased from zero, this enhancement set in discontinuously at and grew above 1/Roc. The value of 1/Roc varied from about 0.48 at Pr = 3 to about 0.35 at Pr = 6.2. At sufficiently large 1/Ro (large rotation rates), Nu decreased again, due to the Taylor–Proudman (TP) effect, and reached values well below its value without rotation. The maximum enhancement increased with increasing Pr and decreasing Ra and, we believe, was determined by a competition between the Ekman enhancement and the TP depression. The temperature signature along the sidewall of the LSC was detectable by our method up to 1/Ro ≃ 1. The frequency of cessations α of the LSC grew dramatically with increasing 1/Ro, from about 10−5 s−1 at 1/Ro = 0 to about 2 × 10−4 s−1 at 1/Ro = 0.25. A discontinuous further increase of α, by about a factor of 2.5, occurred at 1/Roc. With increasing 1/Ro, the time-averaged and azimuthally averaged vertical thermal gradient along the sidewall first decreased and then increased again, with a minimum somewhat below 1/Roc. The Reynolds number of the LSC, determined from oscillations of the time correlation functions of the sidewall temperatures, was constant within our resolution for 1/Ro ≲ 0.3 and then decreased with increasing 1/Ro. The retrograde rotation rate of the LSC circulation plane exhibited complex behaviour as a function of 1/Ro even at small rotation rates corresponding to 1/Ro < 1/Roc.
Management of sword-swallower injuries
Authors: Moberly A C , Fritsch M H , Mosier K M
Published: October 2010

Objective:

To report an unusual case of hypopharyngeal perforation in a sword-swallower, with emphasis on management options.

Method:

Case report and review of the English language literature concerning sword-swallowing injuries to the hypopharynx and oesophagus.

Results:

A 29-year-old male sword-swallower suffered hypopharyngeal perforation during a performance. The patient received conservative management, with intensive care unit admission, infectious disease consultation, intravenous antibiotics, discontinuation of oral intake and close observation. He progressed well, resumed oral intake on hospital day six, and was discharged home on hospital day eight.

Conclusion:

Sword-swallowing is an unusual vocation which may lead to potentially devastating injuries. This case report and review of the literature illustrates the management options for such hypopharyngeal and oesophageal injuries.
Use of trans-septal mattress suture of Little's area for anterior epistaxis
Authors: Nitek S K , Wysocki J , Niszczota C S
Published: October 2010

Background:

In some cases of epistaxis, anterior packing and/or electrocoagulation are not sufficient and suturing is needed. However, standard suturing techniques are sometimes ineffective. This paper reports the use of a new kind of trans-septal mattress suture, based on regional vascular anatomy, in this clinical context.

Methods:

Four adult patients with haemorrhage in Little's area underwent standard suturing, but bleeding persisted. These patients were successfully treated with trans-septal mattress suturing, using four punctures around the haemorrhage site.

Results:

No relapses or complications were observed over a six-month follow-up period.

Conclusion:

In cases of persistent bleeding from Little's area, suturing should surround the bleeding area. The described suturing method is simple, efficacious and cheap.
Functionalities of free and open electronic health record systems
Authors: Flores Zuniga Alejandro Enrique , Win Khin Than , Susilo Willy
Published: October 2010

Objectives: The aim of this study was to examine open-source electronic health record (EHR) software to determine their level of functionalities according to the International Organization for Standardization (ISO) standards.

Methods: ISO standards were used as a guideline to determine and describe the reference architecture and functionalities of a standard electronic health record system as well the environmental context for which the software has been built. Twelve open-source EHR systems were selected and evaluated according to two-dimensional criteria based on ISO/TS 18308:2004 functional requirements and ISO/TR 20514:2005 context of the EHR system.

Results: Open EHR software programs mostly fulfill structural, procedural, evolutional, and medicolegal requirements at the minimal and full functionality levels. Communication, privacy, and security requirements are accomplished in less than 23 percent of the cases, mainly at minimal functional level. Ethical, cultural, and consumer requirements still need to be fulfilled by free and open-source EHR applications.

Conclusions: Most analyzed systems had several functional limitations. Nevertheless, especially for clinicians and decision makers in developing countries, open-source EHR systems are an option. The limited functionalities are likely to become requirements for further releases of open-source EHR systems.
Options on low-cost abatement and investment in the energy sector: new perspectives on REDD
Authors: FUSS SABINE , SZOLGAYOVA JANA , GOLUB ALEXANDER , OBERSTEINER MICHAEL
Published: October 2010

Deforestation is one of the major sources of carbon emissions, but the Kyoto Protocol presently excludes avoiding these emissions to fulfill stabilization targets. Since the need for policy incentives for the reduction of emissions from deforestation and degradation (REDD) was officially recognized in 2007, the focus of this debate has shifted to issues of implementation. Concerns about the effects that the availability of low-cost REDD credits might have on energy investments, and the development of clean technology constitute the main motivation of this paper. We analyze the production side of the problem with the help of a real options model with an option to invest in less carbon-intensive energy technology and an option to purchase credits on REDD, which will (or will not) be exercised in the future. Unresolved questions can thus still be addressed later, while producers and investors hold REDD options to maintain flexibility for later decisions.
INEQUALITY AVERSION AND THE OPTIMAL COMPOSITION OF GOVERNMENT EXPENDITURE
Authors: Creedy John , Li Shuyun May , Moslehi Solmaz
Published: October 2010

This paper examines the choice between government expenditure on public goods and transfer payments, in the form of a pension, in an overlapping-generations model. Government expenditure is tax-financed on a pay-as-you-go basis. A utilitarian judge chooses expenditures to maximize a social welfare function. The nonlinear solution is found to involve the ratio of a welfare-weighted average income, which depends on the inequality aversion of the judge, to arithmetic mean income. An approximation for this ratio is found that produces explicit solutions for the optimal composition. The result is used to obtain an indication of “implicit” inequality aversion for a range of countries.
A carbon-nanotube-based frequency-selective absorber
Authors: D'Elia Ugo F. , Pelosi Giuseppe , Selleri Stefano , Taddei Ruggero
Published: October 2010

A recently developed material based on carbon nanotubes is used here for the realization of single- and double-layered frequency-selective surfaces (FSSs) with relevant absorbing properties. The peculiar characteristics of carbon nanotubes are exploited to devise high-loss resonant ring structures periodically arranged to build the FSS. By introducing two layers of rings, an absorber with stable characteristics over a wide frequency band and over a wide range for the incident wave angle is achieved.
Two‐ and three‐dimensional thermal modeling of a low‐angle detachment: Exhumation history of the Simplon Fault Zone, central Alps
Authors: Campani Marion , Herman Frédéric , Mancktelow Neil
Published: October 2010

Two alternative models have been proposed to explain footwall exhumation along major low‐angle detachments: (1) crustal‐scale exhumation along a detachment fault that maintained a low dip angle or (2) exhumation along a high‐angle fault passively rotated by isostatic rebound (“rolling hinge model”). These proposed models were tested against a well‐documented example of a low‐angle detachment fault in the European central Alps, the Simplon Fault Zone (SFZ). An extensive thermochronological data set provides the basis for 2‐ and 3‐D thermokinematic models (Pecube), coupled with a stochastic inversion algorithm (the Neighbourhood Algorithm). Model results establish that the thermochronological pattern is better reproduced by a low‐angle detachment that maintained a 30° dip, rather than by a rolling hinge model. Although a range of histories involving either steady state or variable exhumation rates is possible, the preferred model of highest probability is for a variable rate, with the fault zone initiated at 18.5 ± 2.5 Ma and active until the present day. Footwall exhumation was relatively fast until 14.5 ± 1.5 Ma (∼1.4 mm yr−1). This enhanced SFZ footwall exhumation is similar in timing and kinematics to orogen‐parallel extension reported throughout the Alpine orogen. After 14.5 Ma, SFZ footwall exhumation continued at a reduced rate (∼0.7 mm yr−1) until 4 Ma. The subsequent increase (to ∼1 mm yr−1) reflects enhanced regional erosion rates across both footwall and hanging wall after circa 4 Ma (from 0.35 ± 0.15 mm yr−1 to 0.70 ± 0.15 mm yr−1), probably in response to climate changes during the Pliocene.
Influence of inclination error in sedimentary rocks on the Triassic and Jurassic apparent pole wander path for North America and implications for Cordilleran tectonics
Authors: Kent Dennis V. , Irving Edward
Published: October 2010

Because of paleomagnetic inclination error (I error) in sedimentary rocks, we argue that previous estimates of Triassic and Jurassic paleolatitudes of the North American craton have generally been too low, the record being derived mostly from sedimentary rocks. Using results from all major cratons, we construct a new composite apparent pole wander (APW) path for Triassic through Paleogene based on 69 paleopoles ranging in age from 243 to 43 Ma. The poles are from igneous rocks and certain sedimentary formations corrected for I error brought into North American coordinates using plate tectonic reconstructions. Key features of the new APW path are a 25° northward progression from 230 to 190 Ma to high latitudes (off northernmost Siberia) where the pole lingers until 160 Ma, a jump to the Aleutians followed by a hook in western Alaska by ∼145 Ma that leads to the 130–60 Ma stillstand, after which the pole moves to its present position. As an example of the application of this new path we use paleomagnetic results to determine that southern Wrangellia and Stikinia (W/S), the two most westerly terranes in the Canadian Cordillera, lay 630 to 1650 km farther south than at present relative to the craton during the Late Triassic and Early Jurassic. This is consistent with an exotic Tethyan origin as paleontological and mantle geochemical evidences imply. During the Late Triassic through Early Cretaceous, W/S moved northward more slowly than the craton, implying oblique sinistral net convergence over this 130 Myr interval. This was followed by dextral shear in latest Cretaceous through Eocene.
Airborne lidar measurements of ozone flux downwind of Houston and Dallas
Authors: Senff C. J. , Alvarez R. J. , Hardesty R. M. , Banta R. M. , Langford A. O.
Published: October 2010

We use airborne lidar measurements of ozone collected during the Texas Air Quality Study (TexAQS) 2000 and TexAQS 2006 field campaigns to compute the horizontal flux of ozone downwind of the Houston and Dallas/Fort Worth metropolitan areas. Fluxes are computed for each aircraft transect by integrating excess ozone (plume ozone minus background ozone) in the urban plumes and multiplying the result by the horizontal wind speed provided by radar wind profilers. In addition, we use the lidar data to estimate ozone production rates and ozone enhancements in the Houston and Dallas/Fort Worth plumes. We found that the average horizontal flux of ozone emanating from the Houston area based on data from six research flights was 3.2 · 1026 molecules per second. This was significantly higher than the flux measured downwind of Dallas/Fort Worth during a single flight. The Houston fluxes exhibited a strong dependence on wind direction. Under southerly or northerly flow, ozone fluxes were about twice as large as under westerly or easterly flow conditions. We estimate that a day's worth of export of ozone from the Houston area could raise regional background ozone by about 10 ppbv over a 40,000 km2 area. This has important ramifications for air quality in communities downwind of Houston as it could raise background ozone levels enough that regions with little or no local pollution sources of their own may violate the federally mandated ozone standard.