bluuebunny/crossref_metadata_2025 huggingface dataset:
From Inspection to School Improvement? Evaluating the Accelerated Inspection Programme in Waltham Forest
Authors: Hopkins David , Harris Alma , Watling Rob , Beresford John
Published: June 2007

In 1995, the Office for Standards in Education (OFSTED) had the first opportunity to look at a substantial number of inspection reports from across the education system. Using this analysis, the London Boroughs of Waltham Forest and Lambeth were identified as having over 40% of their schools within the category of ‘serious weaknesses’ or failing’. In direct response to these findings OFSTED announced an accelerated inspection programme for all schools within each borough. This article discusses the main conclusions from an external evaluation of the Accelerated Inspection Programme (AIP) in Waltham Forest. It focuses upon the critical relationships between OFSTED, the local education authority (LEA) and schools during the period of the AIP and considers the relationship between inspection and improvement based upon the evaluation findings. The article concludes by discussing some of the necessary preconditions for strengthening the link between inspection and improvement.
Victim of Success: American Dominance and Terrorism
Authors: Sobek David , Braithwaite Alex
Published: June 2007

While terrorist attacks against American interests represent an important topic, few studies use international relations theory and a rigorous statistical methodology to examine their occurrence. In recognition of these shortcomings, this paper hypothesizes and tests a simple yet powerful relationship: as American dominance of the international system increases, the number of attacks against its interests will also rise. This relationship exists because American dominance leaves little room for revisionist actors to alter the status quo through conventional means, which makes terrorist methods an increasingly likely choice. Using ARIMA modeling techniques on a data set that spans from 1968—1996, we gain confirmation that increasing levels of American dominance are positively correlated with large numbers of attacks against American interests.
Foreign Policy Determinants: Comparing Realist and Domestic-Political Models of Foreign Policy
Authors: Souva Mark
Published: June 2007

Systemic realist arguments of foreign policy decision-making suggest that partisan disagreement stops at the water's edge. A domestic-politics model of foreign policy decision-making posits that politics does not stop at the water's edge. Extant research on foreign policy voting in the U.S. Congress is consistent with the systemic realist argument. According to this research, partisan voting is less likely to occur on national security, or high-politics issues, than on low-politics issues. I argue that this research suffers from two flaws. First, it does not measure high-politics in accordance with systemic realist thinking. Second, the goal in addressing the water's-edge question is not to learn if a specific variable, such as high-politics, is significant, but to compare competing models. To this end, it is necessary to engage in a “three-cornered fight” and conduct a nonnested model discrimination test. After creating a new measure of high-politics, I compare a systemic realist model against a domestic-politics model of foreign policy voting in the House of Representatives from 1953—2000. The model discrimination test indicates that the domestic-politics model outperforms the systemic realist model. Institutional dynamics and public opinion are more important for understanding foreign policy voting than are more traditional realist variables.
Summer School Bioinformatics — Information Systems and Network Analysis of Gene Regulation and Metabolism
Authors: Hofestädt Ralf
Published: June 2007

Development in molecular biology have resulted in very significant increase in the volume of data available to scientists. Handling and modelling there data requires electronic tools, for which world‐wide access via the internet is essential. This paper summarises contributions on this area to a summer school organiser in magdeling in September 1999.
Analysis of Lacker′s Model with an Ageing Factor for the Control of Ovulation and Polycystic Ovary Syndrome
Authors: Chávez-Ross A.
Published: June 2007

In the present paper, we develop an extensive theoretical analysis of the deterministic model for the control of ovulation in mammals proposed by Mariana et al., (1994), which is an extension of Lacker′s model. Mariana et al. incorporated an age decaying factor in follicle maturity, and kept follicle growth law as Lacker first proposed. However, they produced only some numerical examples simulating the new advantages of their model. As a result of the present analysis, we propose an alternative understanding of folliclegenesis, pre‐ovulatory follicle selection in mammals, and polycystic ovary syndrome (PCOS) in women. In particular, a minimum oestradiol threshold level required for initial follicular growth is obtained. Relative values of follicle size and age necessary for its development are also determined. We prove that the model controls pre‐ovulatory follicle selection rate at a local level. The model is shown to be globally unstable and fails to regulate the selection process. Finally, a discussion on how these results bring new insight to possible causes for PCOS is given.
The Pharmacodynamics of Antibiotic Treatment
Authors: Mudassar Imran , Smith Hal
Published: June 2007

We derive models of the effects of periodic, discrete dosing or constant dosing of antibiotics on a bacterial population whose growth is checked by nutrient‐limitation and possibly by host defenses. Mathematically rigorous results providing sufficient conditions for treatment success, i.e. the elimination of the bacteria, as well as for treatment failure, are obtained. Our models can exhibit bi‐stability where the infection‐free state and an infection‐state are locally stable when antibiotic dosing is marginal. In this case, treatment success may occur only for sub‐threshold level infections.
The Use of Human Tumor Cells Grown in Multicellular Spheroid Culture for Designing and Improving Therapeutic Strategies
Authors: Acker H.
Published: June 2007

Human turnor cells grown in threedimensional multicellular spheriod culture represent an ideal system to study the heterogeneous interaction between microenvironment and different therpeutic modalities in patients. Overcoming this hetergenenity is the most challeging task for the improvement of cancer theraphy. Examples of this interaction are given with the meaning of pO2 and pH for the treatment of tumor cells with radition cytostatic,cytokines and gene therapy. The presented result might form a base for the use of muticellular spheriods in a concerted action between clinicians, biologist and mathematicians to improve tumor therapy individually for patient.
Pollution monitoring of Bagnoli Bay (Tyrrhenian Sea, Naples, Italy), a sedimentological, chemical and ecological approach
Authors: Bergamin L. , Romano E. , Magno M. Celia , Ausili A. , Gabellini M.
Published: June 2007

Many studies finalised to a reclamation project of the industrial area were carried out on the industrial site of Bagnoli (Naples). Among these studies, the sedimentological, chemical, and ecological characteristics of marine sediments were analysed. Seven short cores, located in the proximity of a steel plant, were analysed for grain-size, polychlorobiphenyls, polycyclic aromatic hydrocarbons and heavy metals. As well, benthic foraminiferal assemblages were investigated. Sediment pollution was mainly due to heavy metals; in particular, copper, mercury and cadmium showed a ‘spot’ (site-specific) distribution, while iron, lead, zinc and manganese showed a diffuse distribution, with a gradual decrease of concentration from coast to open sea. Heavy metals pollution seems to explain some of the variation in the foraminiferal abundance. The combined copper and iron contamination might be the cause for the complete absence of foraminifera in the four shallower cores. Moreover, the ratio between normal and deformed specimens of Miliolinella subrotunda and Elphidium advena could be indicative of heavy metal pollution. In particular, Miliolinella subrotunda could be a potential bioindicator for copper pollution, since the abundance of irregular specimens of this species could be related to copper concentrations.
Longitudinal research: methods for maximizing subject follow‐up
Authors: WUTZKE S. E. , CONIGRAVE K. M. , KOGLER B. E. , SAUNDERS J. B. , HALL W. D.
Published: June 2007

Early intervention for hazardous alcohol use has been shown repeatedly to be effective in reducing alcohol consumption, limiting alcohol‐related problems and improving biochemical parameters. However, in most studies the follow‐up period has been 2 years or less. The current paper presents progress on a 10‐year follow‐up of a randomized controlled trial of early intervention. Methods used for tracing subjects and ensuring minimal refusals are detailed. The intensity of effort required to locate subjects is documented and recommendations for ensuring good follow‐up rates are made. At completion of follow‐up, 72.5% of the sample reviewed here and 78.2% of the total cohort had been traced. Our experiences demonstrate that long‐term follow‐up is feasible, given sufficient planning and persistence.
The role of biomarkers in the health assessment of aquatic ecosystems
Authors: Sherry J. P.
Published: June 2007

Much progress has been made in abating the impacts on aquatic ecosystems of industrial wastewaters, intensive agriculture, and large urban centres. Nowadays the short term consequence of stress from such sources is less frequently the death and destruction of fish populations or entire communities of organisms. Large scale fish kills are now less common. Scientific attention has shifted to the effects on ecosystems of long term exposures to sublethal stressors. Although use of the term ‘ecosystem health’ is a topic of debate, the metaphor can usefully reflect a state of well being or absence of impaired survival, growth, reproduction, and recruitment problems in an ecosystem's key organisms. The present article explores the use of the physiological and biochemical responses of organisms to stressors, the so-called ‘biomarkers,’ to assess and study the sublethal effects of chemical stressors in fish. Fish were chosen as the organism of example because they are key components of practically all aquatic ecosystems. Most biomarkers can be used as an early warning that fish have been exposed to putative stressors, and can often be used to help identify the stressor(s). Biomarkers, however, tell us little about the eventual ecological outcome of such exposures. Some biomarkers are mechanistically linked to toxic modes of action, and can thus be classed as ‘biomarkers of effect’ at the level of the individual organism. None, however, have been fully validated and calibrated as predictive indicators of adverse ecological effects at either the population or community levels. Biomarkers are valueable as part of a broader strategy for monitoring the effects of stressors on aquatic ecosystems.
Applying elastic fibre biology in vascular tissue engineering
Authors: Kielty Cay M , Stephan Simon , Sherratt Michael J , Williamson Matthew , Shuttleworth C. Adrian
Published: June 2007

For the treatment of vascular disease, the major cause of death in Western society, there is an urgent need for tissue-engineered, biocompatible, small calibre artery substitutes that restore biological function. Vascular tissue engineering of such grafts involves the development of compliant synthetic or biomaterial scaffolds that incorporate vascular cells and extracellular matrix. Elastic fibres are major structural elements of arterial walls that can enhance vascular graft design and patency. In blood vessels, they endow vessels with the critical property of elastic recoil. They also influence vascular cell behaviour through direct interactions and by regulating growth factor activation. This review addresses physiological elastic fibre assembly and contributions to vessel structure and function, and how elastic fibre biology is now being exploited in small diameter vascular graft design.
Receptor for advanced glycation end products (RAGE) is important in the prediction of recurrence in human oral squamous cell carcinoma
Authors: Sasahira T , Kirita T , Bhawal U K , Yamamoto K , Ohmori H , Fujii K , Kuniyasu H
Published: June 2007

Aims:  Receptor for advanced glycation end products (RAGE) has recently been recognized as a cancer‐associated protein responsible for cancer progression and metastasis in gastrointestinal cancers. The aim was to examine the role of RAGE in oral squamous cell carcinoma (OSCC).

Methods and results:  RAGE expression was examined by immunohistochemistry in 74 OSCC patients and evaluated with a grading based on Allred's score. RAGE expression was compared with clinicopathological parameters including clinical stage, invasive depth, nodal metastasis, disease recurrence and disease‐free survival. High‐grade expression of RAGE (RAGE‐H) was observed in 30 (40.5%) of 74 OSCCs. RAGE‐H was associated with depth of invasion (P < 0.0001) and local recurrence (P < 0.0001), but not with histological differentiation, clinical stage or nodal metastasis. Disease‐free survival in patients with RAGE‐H was significantly worse than in those with low‐level RAGE expression. Multivariate analysis showed RAGE‐H to be an independent prognostic factor for disease‐free survival in OSCC patients (P = 0.0022).

Conclusion:  RAGE is a relevant factor in predicting disease recurrence and patients' prognosis in OSCC.
The role and impact of freshwater–seawater mixing zones in the maturation of regional dolomite bodies within the proto Floridan Aquifer, USA
Authors: GASWIRTH STEPHANIE B. , BUDD DAVID A. , LANG FARMER G.
Published: June 2007

Palaeogene dolostones from the sub‐surface of Florida are ideal for the study of dolomite maturation because they record the early stages of a secondary dolomite overprint without destruction by later diagenetic overprints. Two distinct dolomite textures occur in the dolostones of the Upper Eocene Ocala and Lower Oligocene Suwannee limestones in west‐central Florida: a porous and permeable sucrosic dolomite and a less porous and relatively impermeable indurated non‐sucrosic dolomite. In both textures, the initial matrix dolomite is dully luminescent, whereas the secondary overprint is dominantly luminescent cement in the Suwannee and only neomorphic luminescent dolomite in the Ocala. The abundance of luminescent dolomite ranges from 2% to 38%, which translates to 1·6 km3 of material in the Suwannee and 13·5 km3 in the Ocala. Extrapolated trace‐element contents (Sr and Na) and δ18O values for the matrix and luminescent end‐members indicate a marine origin for the matrix dolomite in both units, and a freshwater–seawater mixing‐zone origin for the secondary luminescent dolomites. The δ18O values indicate that a saline, middle mixing‐zone environment overprinted the Suwannee but a more dilute mixing zone affected the Ocala. Fluid–fluid mixing models constrained by modern Floridan aquifer hydrochemistry and extrapolated 87Sr/86Sr values of the luminescent phases indicate that the mixing zones operated during the Late Miocene to Pliocene in the Ocala and affected the Suwannee in the Pliocene. The luminescent Suwannee mixing‐zone cement reduced porosity up to threefold and permeability up to 100‐fold, which converted many sucrosic dolomites to indurated dolomites. By contrast, the neomorphic luminescent Ocala dolomite did not have an appreciable impact on the maturations. Although freshwater–seawater mixing zones were not the sites of the initial dolomitization, the mixing‐zone environment did dramatically overprint and mature the regionally widespread dolomites of the Ocala and Suwannee limestones. This maturation occurred shortly after formation of the proto‐Floridan aquifer; the timing suggests the matrix dolomites were ‘ripe’ for alteration and that the only prerequisite for mixing‐zone dolomite is pre‐existing dolomite substrates to reduce kinetic barriers. In contrast to recent claims, the results of this study demonstrate that mixing zones can be effective in forming regionally significant amounts of secondary dolomite and influencing the petrophysical maturation of dolomite bodies.
Omega‐6 and omega‐3 fatty acids predict accelerated decline of peripheral nerve function in older persons
Authors: Lauretani F. , Bandinelli S. , Benedetta B. , Cherubini A. , Iorio A. D. , Blè A. , Giacomini V. , Corsi A. M. , Guralnik J. M. , Ferrucci L.
Published: June 2007

Pre‐clinical studies suggest that both omega‐6 and omega‐3 fatty acids have beneficial effects on peripheral nerve function. Rats feed a diet rich in polyunsaturated fatty acids (PUFAs) showed modification of phospholipid fatty acid composition in nerve membranes and improvement of sciatic nerve conduction velocity (NCV). We tested the hypothesis that baseline plasma omega‐6 and omega‐3 fatty acids levels predict accelerated decline of peripheral nerve function. Changes between baseline and the 3‐year follow‐up in peripheral nerve function was assessed by standard surface ENG of the right peroneal nerve in 384 male and 443 female participants of the InCHIANTI study (age range: 24–97 years). Plasma concentrations of selected fatty acids assessed at baseline by gas chromatography. Independent of confounders, plasma omega‐6 fatty acids and linoleic acid were significantly correlated with peroneal NCV at enrollment. Lower plasma PUFA, omega‐6 fatty acids, linoleic acid, ratio omega‐6/omega‐3, arachidonic acid and docosahexanoic acid levels were significantly predicted a steeper decline in nerve function parameters over the 3‐year follow‐up. Low plasma omega‐6 and omega‐3 fatty acids levels were associated with accelerated decline of peripheral nerve function with aging.
TOWARDS CLASSIFICATION OF SIMPLE DARK ENERGY COSMOLOGICAL MODELS
Authors: SZYDLOWSKI MAREK , KUREK ALEKSANDRA
Published: June 2007

We characterize a class of simple FRW models filled by both dark energy and dark matter in notion of a single potential function of the scale factor a(t); t is the cosmological time. It represents the potential of a fictitious particle — Universe moving in 1-dimensional well V(a) which the positional variable mimics the evolution of the Universe. Then the class of all dark energy models (called a multiverse) can be regarded as a Banach space naturally equipped in the structure of the Sobolev metric. In this paper, we explore the notion of C1 metric introduced in the multiverse which measures distance between any two dark energy models. If we choose cold dark matter as a reference, then we can find how far apart are different models offering explanation of the present accelerating expansion phase of the Universe. We consider both models with dark energy (models with the generalized Chaplygin gas, models with variable coefficient equation of state [Formula: see text] parameterized by redshift z, models with phantom matter) as well as models based on some modification of Friedmann equation (Cardassian models, Dvali–Gabadadze–Porrati brane models). We argue that because observational data still favor the ΛCDM model, all reasonable dark energy models should belong to the nearby neighborhood of this model.
A TELEPARALLEL REPRESENTATION OF THE WEYL LAGRANGIAN
Authors: VASSILIEV D.
Published: June 2007

The main result of the paper is a new representation of the Weyl Lagrangian (massless Dirac Lagrangian). As the dynamical variable, we use the coframe, i.e. an orthonormal tetrad of covector fields. We write down a simple Lagrangian — wedge product of axial torsion with a lightlike element of the coframe — and show that variation of the resulting action with respect to the coframe produces the Weyl equation. The advantage of our approach is that it does not require the use of spinors, Pauli matrices or covariant differentiation. The only geometric concepts we use are those of a metric, differential form, wedge product and exterior derivative. Our result assigns a variational meaning to the tetrad representation of the Weyl equation suggested by J. B. Griffiths and R. A. Newing.
Design of Health Care Technologies for the Developing World
Authors: Malkin Robert A.
Published: June 2007

Approximately 20 years ago, the international community embarked on a project to bring health care to everyone by the year 2000 featuring, among other things, technologies that were known to be effective and economical. It was largely a failure. In fact, health care deteriorated in many of the target nations. Problems such as public mistrust, lack of spare parts, lack of required consumables, lack of reliable power and water, lack of public infrastructure such as roads, lack of technical expertise, and other problems plague health care technology in the developing world. Biomedical engineers are just beginning to quantify and address the barriers to technology unique to the developing world. This article reviews the barriers, both real and perceived, to the introduction of health care technology with a main focus on health care technology in hospitals.
The Study of Nanovolumes of Amorphous Materials Using Electron Scattering
Authors: Cockayne David J.H.
Published: June 2007

Many of the structural elements of importance in materials applications (e.g., thin films, barrier layers, intergranular films in ceramics) are small in volume and amorphous. Although the characterization of the structure of amorphous materials by X-ray and neutron diffraction methods is well established, these techniques are not suitable for studies of nanovolumes of materials because of the relatively small scattering cross sections. This chapter reviews recent developments in electron techniques, and particularly electron diffraction, for overcoming this problem.
Retreatment in leprosy: a case-control study
Authors: Ximenes Ricardo Arraes Alencar , Gallo Maria Eugênia Novinsk , Brito Maria de Fátima de Medeiros
Published: June 2007

OBJECTIVE: To assess risk factors for retreatment of leprosy patients. METHODS: A case-control study with patients from two reference care units in Recife, northeastern Brazil, in 2003. The case group included retreated patients (N=155) and the control group comprised those patients who were not retreated (N=155) matched by year of diagnosis and health care unit. Univariate and multivariate analyses were conducted to test the associations and odds ratios and related 95% confidence intervals were estimated. RESULTS: The following factors were found to be significantly associated (p<0.05) with retreatment: occurrence of adverse immunological reactions after treatment completion (OR=2.3; 95% CI=1.18;4.83), final bacterial index > 1 (OR=6.43; 95% CI=1.67;24.74), therapeutic regimen consisting of sulfone monotherapy (OR=10; 95% CI=0.01;0.78) and reports of household contacts (OR=2.2; 95% CI=0.24;0.85). CONCLUSIONS: The study findings reinforce that the use of dapsone monotherapy should be discontinued, and highlight the need for epidemiological monitoring of specific groups of leprosy patients after treatment completion through periodical clinical and laboratory evaluation. Further studies to explore the association between final bacterial index and retreatment are strongly recommended.
Factors associated with treatment failure, dropout, and death in a cohort of tuberculosis patients in Recife, Pernambuco State, Brazil
Authors: Albuquerque Maria de Fátima Pessoa Militão de , Ximenes Ricardo Arraes de Alencar , Lucena-Silva Norma , Souza Wayner Vieira de , Dantas Andréa Tavares , Dantas Odimariles Maria Souza , Rodrigues Laura Cunha
Published: June 2007

A cohort of cases initiating tuberculosis treatment from May 2001 to July 2003 was followed in Recife, Pernambuco State, Brazil, to investigate biological, clinical, social, lifestyle, and healthcare access factors associated with three negative tuberculosis treatment outcomes (treatment failure, dropout, and death) separately and as a group. Treatment failure was associated with treatment delay, illiteracy, and alcohol consumption. Factors associated with dropout were age, prior TB treatment, and illiteracy. Death was associated with age, treatment delay, HIV co-infection, and head of family's income. Main factors associated with negative treatment outcomes as a whole were age, HIV co-infection, illiteracy, alcoholism, and prior TB treatment. We suggest the following strategies to increase cure rates: further training of the Family Health Program personnel in TB control, awareness-raising on the need to tailor their activities to special care for cases (e.g., literacy training); targeting use of directly observed therapy for higher risk groups; establishment of a flexible referral scheme to handle technical and psychosocial problems, including alcoholism; and increased collaboration with the HIV/AIDS program.
Representações, mitos e comportamentos do paciente submetido ao implante de marcapasso na doença de Chagas
Authors: Magnani Claudia , Oliveira Bruna Guimarães , Gontijo Eliane Dias
Published: June 2007

Estudo antropológico sobre o modo de incorporação e as repercussões do implante do marcapasso na vida do indivíduo portador da doença de Chagas. Foi realizada uma pesquisa etnográfica baseada no instrumento de entrevista aberta, buscando identificar a percepção do estado de saúde de um grupo de 15 pacientes portadores de cardiopatia Chagásica crônica que necessitaram de implante de marcapasso, atendidos no Ambulatório de Marcapasso do Hospital das Clínicas da Universidade Federal de Minas Gerais, em Belo Horizonte, Minas Gerais, Brasil. Utilizou-se o referencial da qualidade de vida para observar os recursos culturais, físicos e psicológicos que os pacientes utilizam para enfrentar, explicar e aceitar o processo de adoecimento, incluindo as representações mentais que constroem o sentido cultural da doença e definem as relações sociais. O estudo pretende contribuir para que os profissionais de saúde atendam seus pacientes em sua integralidade. A orientação decodificada e integrada no âmbito cultural assume um papel importante para evitar que a desinformação perpetue a difusão de mitos populares, que, por vezes, se tornam preconceitos e elementos sociais ativos de estigma do indivíduo portador de cardiopatia.
Condições de trabalho e automedicação em profissionais da rede básica de saúde da zona urbana de Pelotas, RS
Authors: Tomasi Elaine , Sant'Anna Graciela Castro , Oppelt Ana Maria , Petrini Raquel Magalhães , Pereira Inês Vianna , Sassi Bárbara Tomasi
Published: June 2007

Este estudo transversal investigou condições de trabalho e a morbidade dos profissionais de saúde da atenção básica em Pelotas, através de informações sociodemográficas, comportamentais, da atividade e ambiente de trabalho e de morbidade. Foram estudados 329 profissionais em 39 serviços. A grande maioria era do sexo feminino (80%) e a média de idade era de 41 anos (±9,2 anos). Quase 30% dos profissionais pertenciam às classes C e D. O hábito de fumar foi referido por 19% dos indivíduos da amostra e 61% não praticaram nenhuma atividade física regular no mês anterior à entrevista. Cerca de metade dos entrevistados tinha outro emprego (51%) e 25% precisaram faltar ao trabalho no último mês, principalmente por problemas pessoais de saúde (59%) e problemas familiares (22%). Em média, os trabalhadores atendiam cerca de 30 pessoas por dia em uma jornada semanal de 40 horas. Problemas de saúde foram referidos por 40% dos entrevistados, com destaque para problemas do aparelho circulatório (27%) e osteomusculares (18%). Independente de ter problema de saúde, 67% dos entrevistados faziam uso de medicamentos regularmente e 47% referiram este uso nos últimos 15 dias. Um quarto costumava automedicar-se, significativamente em maior proporção entre médicos e outros profissionais de nível superior, entre os trabalhadores de maior nível socioeconômico e entre aqueles com mais de um emprego.
Grey modelling of solid waste volumes in developing countries
Authors: Srivastava A. K. , Nema A. K.
Published: June 2007

Successful planning of a solid-waste management system depends critically on the accuracy of predictions of solid waste generation. In developing countries a lack of historical data means accurate forecasting of solid waste becomes a challenging task. Grey theory has been implemented successfully to model a system with incomplete information. The quantity of solid waste is also influenced by socio-economic factors. To overcome the problem of data scarcity, a methodology based on grey modelling is proposed in which a forecasted series is adjusted for ‘similar series’ of influencing factors using artificial neural network techniques. The ‘similar series’ of influencing factors is identified by grey relational analysis. The proposed methodology is applied to solid waste data for Delhi, the capital city of India. The results show an improved accuracy of predictions.
Preparation of Phosphinated Polymer‐Incarcerated Palladium and Its Application to CN and CC Bond‐Forming Reactions
Authors: Nishio Ryo , Sugiura Masaharu , Kobayashi Shu
Published: June 2007

Phosphinated polymer‐incarcerated (PI) Pd catalysts were prepared by immobilization of palladium with phosphinated polymers by using the PI method. The phosphinated PI Pd catalysts showed good catalytic activity without externally added phosphine ligands in the amination of aryl halides for CN bond‐forming reactions, as well as in Suzuki–Miyaura and Sonogashira coupling. No leaching of palladium from the immobilized Pd was observed by fluorescence X‐ray analysis. Furthermore, it was found that immobilization of Pd by the PI process facilitated the suppression of poisoning of the metal by amines. These effects can be ascribed to stabilization of the catalyst by both the phosphine moieties and the benzene rings in the swollen polymer support. The phosphinated PI Pd catalysts could also be recovered by simple filtration and reused several times without leaching of palladium in both the amination and Suzuki–Miyaura coupling reactions.
Interactions of trifluroethanol with the Trp‐cage peptide
Authors: Chatterjee Chiradip , Gerig John T.
Published: June 2007

It has been suggested that aggregation of fluorinated alcohols in water solutions is involved with the abilities of these alcohols to provoke conformational changes in peptides and proteins. The extent of fluoroalcohol aggregation depends on the degree of fluorination: hexafluoroisopropanol (HFIP) is more extensively aggregated than is TFE. We previously described a study of the interactions of HFIP with the peptide Trp‐cage and provided evidence for the formation of long‐lived complexes between this fluoroalcohol and the peptide. In the present work, we have examined the interactions of the less‐fluorinated TFE with Trp‐cage, in order to probe the role of fluoroalcohol aggregation in the phenomena observed. Intermolecular 1H{19F} nuclear Overhauser effects arising from interactions of TFE with the hydrogens of the peptide in a solution containing 42% TFE were determined at sample temperatures from 5 to 45°C. It is shown that the folded state of the peptide under these conditions is essentially the same as that observed in water and in 30% HFIP‐water. The observed peptide–solvent NOEs indicate formation of complexes of Trp‐cage with TFE that persist for times of the order of 1 ns. The interactions leading to complexes with TFE are somewhat weaker than those involved in complex formation with HFIP. There are no indications that the aggregation of fluoroalcohol is a necessary concomitant of the interactions of TFE or HFIP with Trp‐cage. Rather, the stronger and more long‐lived interactions of HFIP with Trp‐cage appear to be primarily the result of the greater hydrogen‐bonding ability and hydrophobicity of this fluoroalcohol. © 2007 Wiley Periodicals, Inc. Biopolymers 87: 115–123, 2007.

This article was originally published online as an accepted preprint. The “Published Online” date corresponds to the preprint version. You can request a copy of the preprint by emailing the Biopolymers editorial office at biopolymers@wiley.com
Baeyer–Villiger Oxidation of the Bicyclo[2.2.2]octanone System Revisited: Searching for a Modular Construction of Heavily Substituted Cyclohexanes Based on m‐CPBA Mediated Selective Oxygen Insertion
Authors: Finet Laure , Dakir Mohamed , Castellote Isabel , Arseniyadis Siméon
Published: June 2007

Described herein is the use of Baeyer–Villiger oxidation for the selective insertion of oxygen into a variously substituted bicyclo[2.2.2]octanone system, synthesized by a consecutive domino process. By using the appropriate sequence of steps and starting from common intermediate 2a, six‐membered ring systems with appropriate substituents that could serve as surrogates for several functionalities could be accessed.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
Ab initio calculations on π‐stacked thiophene dimer, trimer, and tetramer: Structure, interaction energy, cooperative effects, and intermolecular electronic parameters
Authors: Rodríguez‐Ropero Francisco , Casanovas Jordi , Alemán Carlos
Published: June 2007

π‐Stacked complexes formed by two, three, and four thiophene rings have been investigated using abinitio quantum mechanical calculations. The relative orientation between the rings was investigated for each complex by exploring the corresponding potential energy surface at the MP2/6‐31+G(d,p) level, the inter‐ring distance, and the degree of tilting being examined in each case. Interaction energies were calculated at the MP2, MP3, MP4, and CCSD, levels of theory. Negligible or even slightly positive n‐body effects have been predicted for the stacked thiophene arrangements studied in this work. This is consequence of the cancellation of favorable induction contribution by the destabilizing dispersion component. On the other hand analysis of the optimized geometries obtained for the trimer and tetramer revealed that the orientation of the rings presents a preferred degree of periodicity. Finally, we found that the lowest transition energy decreases when the size of the complex increases, this feature being attributed to desestabilization of the HOMO and stabilization of the LUMO that occur simultaneously. © 2007 Wiley Periodicals, Inc. J Comput Chem, 2008
Interaction between serine phosphorylated IRS‐1 and β1‐integrin affects the stability of neuronal processes
Authors: Wang Jin Ying , Gualco Elisa , Peruzzi Francesca , Sawaya Bassel E. , Passiatore Giovanni , Marcinkiewicz Cezary , Staniszewska Izabella , Ferrante Pasquale , Amini Shohreh , Khalili Kamel , Reiss Krzysztof
Published: June 2007

Tumor necrosis factor‐α (TNFα) released in the brain by HIV‐activated macrophages/microglia is suspected to compromise neuronal survival. Previously, we have demonstrated that activated receptor for insulin‐like growth factor I (IGF‐IR) protects neurons from TNFα‐induced neuronal damage (Wang et al. [ 2006] J. Neurosci. Res. 83:7–18). Because TNFα triggers phosphorylation of insulin receptor substrate 1 (IRS‐1) on serine residues (pS‐IRS‐1; Rui et al. [ 2001] J. Clin. Invest. 107:181–189), and pS‐IRS‐1 binds integrins (Reiss et al. [ 2001] Oncogene 20:490–500), we asked how these events affect neuronal processes. We show that β1‐integrin and pS‐IRS‐1 colocalize in PC12 cells and in primary cortical neurons. TNFα treatment elevated membrane‐associated pS‐IRS‐1, enhanced pS‐IRS‐1 interaction with β1‐integrin, and attenuated cell attachment to collagen IV. In contrast, IGF‐I inhibited pS‐IRS‐1–β1‐integrin complexes and improved cell attachment. The domain of IRS‐1 involved in β1‐integrin binding mapped between amino acids 426 and 740, and the expression of 426–740/IRS‐1 mutant attenuated neuronal outgrowth. Our results indicate that TNFα facilitates the interaction of pS‐IRS‐1 and β1‐integrin and destabilizes neuronal processes. IGF‐I counteracts TNFα‐mediated accumulation of pS‐IRS‐1–β1‐integrin complexes supporting the stability of neuronal processes. © 2007 Wiley‐Liss, Inc.
Direction Sweden: migration fields and cognitive distances of Finland Swedes
Authors: Hedberg Charlotta
Published: June 2007

This article analyses migration fields and perceptions of distance in the context of the migration process of the Finland‐Swedish minority group from Finland to Sweden between 1976 and 1999. The focus of investigation concerns whether the conceptualisation of distance, in terms of socio‐historical migration fields and cognitive maps, can contribute to our understanding of migration decision‐making. A combination of methods has been employed. Firstly, a quantitative analysis took place of the migration fields of Finland Swedes originating in three case‐study areas in Finland. The extension of their migration fields into Sweden is calculated relative to the internal migration pattern within Finland. Secondly, an interview study analysed perceptions of distance among migrants to Sweden. The article shows that a sizeable proportion of the Finland Swedes' migration fields were directed towards Sweden, but that their extension contained regional variations. Further, the decision to migrate to Sweden was strongly influenced by the migrants' perceptions of Sweden prior to migration. Thus, the migrants possessed cognitive maps, with particular sites in Sweden being regarded as distinct and ‘close’ locations, in contrast to alternative, ‘remote’ locations in Finland. The perceptions of distance were shaped by the migrants' social, cultural and economic links with Sweden, as well as by their ethnic identity, which included an ethnic affinity with Sweden. It is suggested that the Finland‐Swedish migration process to Sweden should be seen as a case of transnational migration. Copyright © 2007 John Wiley & Sons, Ltd.
The study of H/D isotope‐dependent order–disorder transition in crystalline α‐chromous acid using quantum‐chemical modeling
Authors: Dolin S. P. , Flyagina I. S. , Tremasova M. V. , Mikhailova T. Yu. , Gavrilyuk A. B. , Levin A. A.
Published: June 2007

The ferroelectric behavior of the protonated (HCrO2) and deuterated (DCrO2) forms of the crystalline α‐chromous acid is studied by quantum‐chemical evaluation of the dynamic Ising model parameters. The tunneling parameters Ω(H), Ω(D) were found from proton transfer barriers calculated by various techniques including the fourth‐order Møller‐Plesset perturbation theory and coupled cluster schemes. The Ising parameters Jij(H), Jij(D) as well as the molecular field parameters J0(H), J0(D) were obtained in frames of two‐pseudospin cluster method on the same computational levels. The molecular field approach was applied to the problem of the structural phase transition (SPT) existence. It is shown in an agreement with experimental data that α‐HCrO2 cannot undergo the SPT related to the ordering of its proton subsystem. On the contrary, the SPT of this sort, that is antiferroelectric in character, takes place in α‐DCrO2 due to strong geometric H/D‐isotope effect observed. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2007
Zur Kristallchemie der Oxorhodate
Authors: Müller‐Buschbaum Hanskarl
Published: June 2007

Das Review gibt einen Einblick in die Kristallchemie der Oxorhodate. Im Vergleich mit der Oxochemie anderer Edelmetalle dominiert im noch stärkeren Maße die oktaedrische Koordination des Rhodiums. Sie wird von den Oxiden Rh2O3, hp‐Rh2O3 und RhO2 vorgegeben und findet sich unabhängig von den Valenzen des Rhodiums in Oxorhodaten wieder. Bis auf wenige Ausnahmen überwiegt die Wertigkeit drei (Rh3+). Oxorhodate adaptieren die Kristallchemie der Delafossite, des K2NiF4‐Typs und dessen Varianten. Sie bilden Stapelvarianten, die sogenannten “eindimensionalen Oxide”, Perowskite, Pyrochlore, Hollandite und Spinelle. Bemerkenswert ist ein Perrhenat‐ähnliches Netzwerk in URh2O6 und eine Variante des SrCr2O4‐Typs beobachtet an β‐Sr0,97Rh2O4. Von Interesse ist Pb3Rh7O15, in dessen Oktaedergerüst einseitig offene Polyeder Pb(1)O4 und Pb(2)O6 eingebettet sind, die durch das lone pair am Pb2+ zu Polyedern des Typs Pb(1)O4LP(1) (trigonale Bipyramide) und Pb(2)O6LP(2) (überkapptes trigonales Prisma) ergänzt werden. Die Positionen der lone pairs (e2− Punktladung) wird durch Berechnungen des Madelung‐Anteils der Gitterenergie ermittelt.
Crystal and Electronic Structures of the New Carbomolybdates(III), RE2[Mo2C3] with RE = Ce, Sm, Tb, and Dy
Authors: Dashjav Enkhtsetseg , Kreiner Guido , Wagner Frank R. , Schnelle Walter , Kniep Rüdiger
Published: June 2007

Four new ternary carbometalates of the general formula RE2[Mo2C3] with RE = Ce, Sm, Tb and Dy have been prepared by a high temperature synthesis route. The Ce, Tb and Dy compounds crystallize isotypic to Er2[Mo2C3], Sm2[Mo2C3], however, is an isotype of Ho2[Cr2C3]. The crystal structures comprise polyanionic layers [(Mo2C3)6−] with the rare‐earth metal ions in between. The layers are constructed by edge and vertex connected MoC4 tetrahedra, which display strong covalent Mo–C bonds. The compounds show metallic behaviour close to the classical limit of 100 μΩ cm for metallic conductors. The magnetic properties are quite different, however they are consistent with the presence of trivalent RE3+ ions with the exception of Ce2[Mo2C3], which contains nonmagnetic Ce species. Electronic structure calculations reveal that the additional electron mainly populates the Ce partial structure. The title compounds extend the series of known carbomolybdates RE2[Mo2C3]. The late lanthanides Gd, Tb, Dy, Ho, Er, Tm, and Lu with comparatively small RE3+ ions and Ce as Ce4+ adopt the Er2[Mo2C3] structure type, whereas the early lanthanides Sm and Pr with larger RE3+ ions crystallize in the structure types of Ho2[Cr2C3] and Pr2[Mo2C3], respectively.
The Crystal Structures of Two No–Metal Tricyanomelaminates: Diammonium Tricyanomelaminate Dihydrate [NH4]2[C6N9H] · 2 H2O and Dimelaminium Tricyanomelaminate Melamine Dihydrate [C3N6H7]2[C6N9H] · C3N6H6 · 2 H2O
Authors: Lotsch Bettina V. , Schnick Wolfgang
Published: June 2007

Diammonium tricyanomelaminate dihydrate [NH4]2[C6N9H] · 2 H2O (1) and dimelaminium tricyanomelaminate melamine dihydrate [C3N6H7]2[C6N9H] · C3N6H6 · 2 H2O (2) were obtained by metathesis reactions from Na3[C6N9] in aqueous solution and characterized by single‐crystal X‐ray diffraction and 15N solid‐state NMR spectroscopy (1). Both salts contain mono‐protonated tricyanomelaminate (TCM) anions and crystallize as dihydrates. Considering charge balance requirements, the crystal structure of 1 (C2/c, a = 3181.8(6) pm, b = 360.01(7) pm, c = 2190.4(4) pm, β = 112.39(3)°, V = 2319.9(8) 106 · pm3) can best be described by assuming a random distribution of an ammonium ion – crystal water pair over two energetically similar sites. Apart from two melaminium cations, 2 (P21/c, a = 674.7(5) pm, b = 1123.6(5) pm, c = 3400.2(5) pm, β = 95.398(5), V = 2566(2) 106 · pm3) contains one neutral melamine per formula unit acting as an additional “solvent” molecule and yielding a donor‐acceptor type of π–stacking interaction.
Genetic and environmental influences on obsessive-compulsive symptoms in adults: a population-based twin-family study
Authors: VAN GROOTHEEST DANIËL S. , CATH DANIËLLE C. , BEEKMAN AARTJAN T. , BOOMSMA DORRET I.
Published: June 2007

Background

The contribution of genetic factors to obsessive-compulsive (OC) symptoms has not been examined using a large population-based sample of adults. Furthermore, the extent to which there are qualitative and quantitative differences in genetic architecture between men and women with OC symptoms has not been elucidated.

Method

We obtained the Young Adult Self Report Obsessive-Compulsive Scale (YASR-OCS) from a group of 5893 monozygotic (MZ) and dizygotic (DZ) twins, and 1304 additional siblings from the population-based Netherlands Twin Register. Structural equation modelling was used to decompose the variation in OC behaviour into genetic and environmental components and analyse quantitative and qualitative sex differences.

Results

Familial resemblance was the same for DZ twins and non-twin siblings, which means that there was no evidence for a special twin environment. The same genetic risk factors for OC behaviour were expressed in men and women. Depending on the choice of fit index, we found small (39% for men and 50% for women) or no sex differences (47% for both men and women) in heritability. The remaining variance in liability was due to individual-specific environment.

Conclusions

OC behaviour showed a moderate heritability. At most, small quantitative sex differences were found in the genetic architecture of OC behaviour, and no qualitative sex differences.
Functional interactions between presynaptic NMDA receptors and metabotropic glutamate receptors co‐expressed on rat and human noradrenergic terminals
Authors: Luccini E , Musante V , Neri E , Brambilla Bas M , Severi P , Raiteri M , Pittaluga A
Published: June 2007

Background and purpose:

Electrophysiological studies described potentiation of NMDA receptor function by metabotropic glutamate receptors (mGluRs) of group I occurring postsynaptically. Since release‐enhancing NMDA receptors exist on noradrenergic terminals and group I mGluRs have recently been identified on these nerve endings, we have investigated if NMDA receptor‐mGluR interactions also can occur at the presynaptic level.

Experimental approach:

Rat hippocampus and human neocortex synaptosomes were labelled with [3H]noradrenaline and superfused with mGluR agonists and antagonists. NMDA‐evoked [3H]noradrenaline release was produced by removal of external Mg2+ or by simultaneous application of NMDA and AMPA in Mg2+‐containing solutions.

Key results:

The mGluR1/5 agonist 3,5‐DHPG, inactive on its own, potentiated both the release of [3H]noradrenaline elicited by AMPA/NMDA/glycine and that evoked by NMDA/glycine following Mg2+ removal. The effect of 3,5‐DHPG on the AMPA/NMDA/glycine‐induced release was insensitive to the mGluR1 antagonist CPCCOEt, but it was abolished by the mGluR5 antagonist MPEP; moreover, it was potentiated by the mGluR5 positive allosteric modulator DFB. When NMDA receptors were activated by Mg2+ removal, both mGluR5 and mGluR1 contributed to the evoked release, the mGluR‐mediated release being blocked only by CPCCOEt and MPEP in combination. Experiments with human neocortex synaptosomes show NMDA receptor‐mGluR interactions qualitatively similar to those observed in rodents.

Conclusions and implications:

Group I mGluRs, both of the mGluR1 and mGluR5 subtypes, co‐localize with NMDA receptors on noradrenergic terminals of rat hippocampus and human neocortex. Depending on the mode of activation, NMDA receptors exert differential permissive roles on the activation of presynaptic mGluR1 and mGluR5.

British Journal of Pharmacology (2007) 151, 1087–1094; doi:10.1038/sj.bjp.0707280
Zero electron kinetic energy spectroscopy of the para-fluorotoluene cation
Authors: Ayles Victoria L. , Hammond Chris J. , Bergeron Denis E. , Richards Owen J. , Wright Timothy G.
Published: June 2007

Zero electron kinetic energy (ZEKE) spectroscopy is employed to gain information on the vibrational energy levels of the para-fluorotoluene (pFT) cation. Vibrationally resolved spectra are obtained following excitation through a range of intermediate vibrational energy levels in the S1 state. These spectra allow the observation of different cationic vibrational modes, whose assignment is achieved both from a knowledge of the S1 vibrational states and also by comparison with density functional calculations. In one notable case, clean ZEKE spectra were obtained from two overlapped S1 features. From the authors' data, the adiabatic ionization energy of pFT was derived as 70946±4cm−1. The information on the cationic energy levels obtained will be useful in untangling the intramolecular vibrational redistribution dynamics of pFT in the S1 state.