bluuebunny/crossref_metadata_2025 huggingface dataset:
Effect of Periodontal Treatment on Serum C‐Reactive Protein Levels: A Systematic Review and Meta‐Analysis
Authors: Ioannidou Effie , Malekzadeh Tannaz , Dongari‐Bagtzoglou Anna
Published: October 2006

Background: Systemic inflammation is increasingly being recognized as a risk factor for adverse cardiovascular events. Evidence is accumulating that associates periodontal disease with a higher risk for atherosclerotic plaque formation. A positive association between circulating C‐reactive protein (CRP) levels and periodontal disease may be responsible for these observations. We undertook a systematic review and conducted a meta‐analysis of the available evidence to examine the effect of periodontal treatment on systemic CRP levels and to assess the quality of the available evidence.

Methods: We conducted a systematic search of the English‐language literature on the effect of periodontal treatment on CRP levels, as assessed by high‐sensitivity assays, at least 2 months after periodontal treatment. The search was conducted in MEDLINE between 1966 and July 2005 and the Cochrane Central Register of Controlled Trials. We performed a meta‐analysis using the DerSimonian and Laird random‐effects model.

Results: The literature search yielded 814 citations of which 10 met the inclusion criteria. The meta‐analysis of the randomized controlled trials (RCTs) showed that the difference in serum CRP levels is not significantly different between the two arms. Similarly, results from the single‐cohort studies showed that the difference on serum CRP levels was not significantly different before and after treatment.

Conclusions: There is now a large body of evidence to indicate that systemic inflammation is present in patients with periodontal disease. Thus, information from RCTs and single‐cohort studies does not support the hypothesis that periodontal treatment can reduce systemic CRP levels.
Relationship Between Prereferral Periodontal Care and Periodontal Status at Time of Referral
Authors: Dockter Kathryn M. , Williams Karen B. , Bray Kimberly S. , Cobb Charles M.
Published: October 2006

Background: According to a recent study, the severity of periodontal disease of individuals referred for periodontal care is greater now than in 1980. Variability in the standard of periodontal care in general dental practices may result in less than desirable outcomes and consequences of poorer periodontal health.

Methods: A sample of 100 newly referred dental patients from three separate periodontal practices in the greater Kansas City, Missouri area participated in this study. Data were collected from three sources: 1) a clinical chart audit, 2) current periodontal disease status as determined by clinical examination, and 3) a patient response questionnaire on past professional care and personal oral care habits. Bivariate analyses were performed using a statistical package.

Results: Of the 100 subjects, 74 were diagnosed as periodontal case type IV at the point of referral, of which 29.8% were treatment planned by the periodontist for two or more extractions. Teeth treatment planned for extraction were significant as a function of disease severity (P = 0.0001). Periodontal treatment provided in general dental practices did not vary because of disease severity. The incidence of deep cleanings (scaling and root planing) was reported slightly higher (32.4%) for case type IV than for case type III (26.9%), but this difference was not statistically significant. The average number of cleanings received in the general dental office was less than the standard of care according to the severity of the disease.

Conclusion: If one assumes that the data obtained in the Kansas City practices are representative of a larger geographic area, it indicates that dentistry may be failing to address issues of the timely diagnosis of periodontal disease, appropriate treatment, and/or timely referral for treatment.
Prevalence of Different Types of Accessory Canals in the Furcation Area of Third Molars
Authors: Zuza Elizangela P. , Toledo Benedicto E.C. , Hetem Sebastião , Spolidório Luis C. , Mendes Ary J.D. , Rosetti Elizabeth P.
Published: October 2006

Background: Although there are several studies that show the prevalence and diameter of accessory root canals in the furcation area, there is a scarceness of studies that observe the trajectory and different types of cavo‐interradicular canals. The aim of this study was to verify the prevalence of the different morphologic types of accessory canals in the furcation region in an attempt to show their trajectories.

Methods: Forty submerged mandibular third molars were used, which were extracted and decalcified so that the microtomy procedure in the mesio‐distal axial plane could be performed, obtaining semiserial sections with thicknesses of 5 μm. The sections were stained with hematoxylin and eosin and observed under optical microscopy.

Results: All of the morphologic types were found, whereas the proper accessory canals, type‐A canals, were present in 10% of the specimens. The most prevalent canals were the sealed ones (type D), with a prevalence of 87.5%, followed by the blind ones (type B), with a prevalence of 75%. The loop accessory canals (type C), observed in only 5% of the teeth, were the least prevalent ones.

Conclusions: Different morphologic types of accessory canals were found in the furcation area of submerged mandibular molars. The histologic method was effective to show the canal trajectories.
Economic vs. juristic thinking in Carl Menger’s principles of economics
Authors: Jandl Gerhard
Published: October 2006

Austrian Economic School is increasingly being treated as one of the most significant and ever more influential bodies of ideas affecting the contemporary economic science. It is well known that Carl Menger, the founder of the Austrian School, was a lawyer by education. The paper is devoted to the degree to which his legal education influenced his economic theorizing. After a close examination of the Menger?s conceptual apparatus and the epistemological ramifications of the key notions underlying his thinking, the paper concludes that the juristic background of the far-reaching theoretical contributions contained in Menger?s Principles was truly decisive. That holds true despite the fact that Menger only exceptionally utilized the juristic vocabulary. The key ingredients of his theoretical creation? such as the individual autonomy, the coincidence of the wills in concluding a contract the effective protection of property and making transactions based on the individual motivation to further one?s own interests to the utmost? are clearly inspired and in many ways influenced by private law, particularly the doctrines underlying the Roman Law and the Austrian Civil Code.
Investment choice under uncertainty: A review essay
Authors: Trifunovic Dejan
Published: October 2006

An investment opportunity whose return is perfectly predictable, hardly exists at all. Instead, investor makes his decisions under conditions of uncertainty. Theory of expected utility is the main analytical tool for description of choice under uncertainty. Critics of the theory contend that individuals have bounded rationality and that the theory of expected utility is not correct. When agents are faced with risky decisions they behave differently, conditional on their attitude towards risk. They can be risk loving, risk averse or risk neutral. In order to make an investment decision it is necessary to compare probability distribution functions of returns. Investment decision making is much simpler if one uses expected values and variances instead of probability distribution functions.
A note about price competitiveness impact on conventional theory and overall pay-off of intraindustry trade
Authors: Malovic Marko
Published: October 2006

Contrary to much of the mainstream literature on trade in monopolistic competition setting, we point out the importance of departure from CES dogma and consequently revealed, if thus far neglected, price competitiveness effect, as a supplement to the classical Dixit-Stiglitz "love of variety". Quite apart from initial price and cost cuts due to greater competition as well as increased consumer welfare as a corollary of more substitutes being available for consumption, there is additional room for price-cost competitiveness boost in terms of scale economies grasped by global market expansion of successful varieties (firms). Analytical framework developed in the paper has led us to conclude that intra industry trade does lower prices and enable greater variety, in as much as it raises efficiency by melting the gap between the zero-profit equilibrium utility and the constrained optimum utility. However, unlike some most recent contributions, our supposition of further downward flexibility of marginal costs prevents us from unambiguously claiming that national firms in the open economy must be fewer as opposed to the autarky case. Put differently, profit margins need not necessarily be falling pro rata (or at all, for that matter) with world prices. That might be one plausible explanation for just why in spite of evident procompetitive effects within the Ell-automobile industry, its price-cost wedges did notfall, but have rather related still.

 This article has been retracted. Link to the retraction 10.2298/EKA0670190U
Binary heterocyclic systems containing the ethylideneamino linkage: synthesis of some new heterocyclic compounds bearing the naphtho-[2,1-b]furan moiety
Authors: Bedair A.H. , El-Wahab Abd , El-Agrody A.M. , Ali F.M. , Halawa A.H. , El-Sherbiny G.M.
Published: October 2006

Ethylidene hydrazine (4a,b) and thiazolidin-4-one (5) derivatives were synthesized by the reaction of ethylidenethiosemicarbazide derivative (3a) with ?-haloketone/ethyl bromoacetate, respectively. Hetrocyclization of ethylideneacetohydrazide derivative (7) with o-phenolic aldehydes gave the corresponding coumarin derivatives (8,9). The interaction of 7 with acetylacetone afforded the corresponding pyridine derivative (10). Treatment of the arylidene derivative 11b with malononitrile afforded the corresponding pyran derivative (12). The new products 3-12 were subjected to IR, 1H NMR and mass spectra studies.
Pyrazine-2-substituted carboxamide derivatives: synthesis, antimicrobial and leuconostoc mesenteroides growth inhibition activity
Authors: El-Wahab Abd , Bedair A.H. , Eid F.A. , El-Haddad A.F. , El-Deeb Adawy , El-Sherbiny G.M.
Published: October 2006

Condensation of pyrazine-2,3-dicarboxylic acid anhydride with aminoacetophenones gave the corresponding N-(acetylphenyl)pyrazine-2-carboxamide. Their reactions with some electrophilic (carbonyl group, bromine) and nucleophilic (malononitrile hydrazine) reagents are discussed. N-[3-(2,2-Dicyano-1-methylethenyl)phenyl]pyrazine- 2-carboxamide underwent Michael addition reaction with an activated double bond yielding 3-amino-5-aryl-3?-(pyrazine-2-carboxamido)biphenyl-2,4-dicarbonitrile derivatives and 2-imino-4-(3-(pyrazine-2-carboxamido)phenyl)-6-(4-methoxyphenyl)cyclohexa 3,5-diene-1,1,3-tricarbonitrile. The structures of the newly synthesized compounds were confirmed by their IR, 1H NMR, 13C NMR and mass spectra data. Antimicrobial acitivites and Leuconostoc sp. growth inhibition of the newly synthesized compounds were studied and some of these were found to exhibit a pronounced effect.
Synthesis and characterization of barbitones as antimicrobial agents
Authors: Sangani H.G. , Bhimani K.B. , Khunt R.C. , Parikh A.R.
Published: October 2006

Barbitones (3) were synthesised by the condensation of chalcones (2) with barbituric acid. The structure of the synthesized compounds were assigned on the basis of elemental analyses, IR, NMR and mass spectral studies. All the products were evaluated for their in vitro antimicrobial activity against various strains of bacteria and fungi.
Transition metal complexes with thiosemicarbazide-based ligands. Part 51. Square-planer nickel(II)complex with acetylacetone bis(S-n-propylisothiosemicarbazone)(L).Crystal and molecular structure of [
Authors: Leovac Vukadin , Divjakovic Vladimir , Cesljevic Valerija , Rakocevic Milena
Published: October 2006

The template reaction of a warm methanolic solution of Ni(OAc)2?4H2O S-n-propylisothiosemicarbazide hydroiodide and acetylacetone yielded the needle- like, brown, diamagnetic complex [Ni(L-H)]I?MeOH, and in the presence of an excess of NH 4NCS, brown, prismatic crystals of the complex [Ni(L-H)]NCS (1), both compounds involving the monoanionic form of the ligand, acetylacetone bis(S-n-propylisothiosemicarbazone), L. Slow recrystallization fromMeOH, EtOH, iPrOH and Me2CO gave the corresponding monosolvent complexes [Ni(L-H)]I?solvent, of which only those involving EtOH and iPrOH were suitable for structural analysis. The crystallographic parameters of [Ni(L-H)]I?EtOH (2) and [Ni(L-H)]I?iPrOH (3) are very similar to each other, showing their structures are isomorphic. The crystal structures of the title compounds consist of the independent ions: NCS-, or I-, and the chemically identical cation [Ni(L-H)]+, where L-H is the monoanion resulting from deprotonation of the acetylacetone moiety, a tetradentate N4 ligand forming a square-planar coordination around a Ni(II) ion. It was found that the isothiosemicarbazide fragment of the ligand has an imido form. The complex cations of the compounds [Ni(L-H)]NCS and [Ni(L-H)]I?EtOH exhibit significant difference only in the conformation of their propyl groups.
Higher Education and the Knowledge Society: Issues, Challenges and Responses in Norway and Germany
Authors: Arthur Lore
Published: October 2006

This article investigates how employers and university leaders in two very different countries, Germany and Norway, are responding to the challenges imposed by the global knowledge economy and the 1999 Bologna Declaration. It asks: does society need more or fewer graduates? What competencies do employers expect of their graduate workers? How do higher education institutions perceive their responsibility towards the employability of their graduates? Both countries offer the opportunity to illustrate responses to shared challenges. From a comparative perspective a number of issues have emerged. In Germany, the country's federal structure with divided responsibilities remains a cause of frustration. Reforms are slow and laden with complexities. Norway's centralised system of higher education, on the other hand, and the availability of resources, has eased higher education reforms but not anxieties about the country's economic future ‘once the oil runs out’. However, the successes of two mass higher education systems built on Humboldtian traditions are also discussed.
Non‐linear co‐ordinated path following control of multiple wheeled robots with bidirectional communication constraints
Authors: Ghabcheloo R. , Pascoal A. , Silvestre C. , Kaminer I.
Published: October 2006

The paper presents a solution to the problem of steering a group of wheeled robots along given spatial paths, while holding a desired inter‐vehicle formation pattern. This problem arises for example when multiple robots are required to search a given area in cooperation. The solution proposed addresses explicitly the dynamics of the cooperating robots and the constraints imposed by the topology of the inter‐vehicle communications network. Lyapunov‐based techniques and graph theory are brought together to yield a decentralized control structure where the information exchanged among the robots is kept at a minimum. With the set‐up proposed, path following (in space) and inter‐vehicle co‐ordination (in time) are essentially decoupled. Path following for each vehicle amounts to reducing a conveniently defined error variable to zero. Vehicle co‐ordination is achieved by adjusting the speed of each of the vehicles along its path according to information on the positions and speeds of a subset of the other vehicles, as determined by the communications topology adopted. Simulations illustrate the efficacy of the solution proposed. Copyright © 2006 John Wiley & Sons, Ltd.
Safety analysis of autonomous systems by extended fault tree analysis
Authors: Åslund Jan , Biteus Jonas , Frisk Erik , Krysander Mattias , Nielsen Lars
Published: October 2006

Safety is of major concern in many autonomous functions in automotive systems and aerospace. In these application areas, it is standard to use fault trees, and a natural question in many modern systems that include sub‐systems like diagnosis, fault‐tolerant control, and autonomous functions is how to include the performance of these algorithms in a fault tree analysis for safety. Many possibilities exist but here a systematic way is proposed. It is shown both how safety can be analysed and how the interplay between algorithm design in terms of missed detection rate and false alarm rate is included in the fault tree analysis. Examples illustrate analysis of diagnosis system requirement specification and algorithm tuning. Copyright © 2006 John Wiley & Sons, Ltd.
Cover Picture: Protein Detecting Arrays Based on Cationic Polythiophene–DNA‐Aptamer Complexes (Adv. Mater. 20/2006)
Authors: Béra Abérem M. , Najari A. , Ho H.‐A. , Gravel J.‐F. , Nobert P. , Boudreau D. , Leclerc M.
Published: October 2006

The cover image depicts biochips based on responsive nanoaggregates made from stoichiometric complexes between a cationic polythiophene and an appropriate DNA aptamer. These structures undergo a conformational transition from an unfolded to a folded (G‐quadruplex) structure in the presence of a specific target protein that results in a significant increase of the fluorescence intensity, as reported on p. 2703 by Leclerc and co‐workers.
Profound thrombocytopenia related to G‐CSF
Authors: Kovacic Jason C. , Macdonald Peter , Freund Judith , Rasko John E.J. , Allan Roger , Fernandes Vivian B. , Ma David , Moore John , Graham Robert M.
Published: October 2006

Severe thrombocytopenia in association with G‐CSF therapy is extremely rare. Here we report a case of profound thrombocytopenia in a 57‐year‐old male with refractory cardiac ischemia, who received G‐CSF during an angiogenesis trial. After 5 days of G‐CSF therapy (10 μg/kg/day) the platelet count fell progressively to a nadir of 5 × 109/L. The patient received steroid, immunoglobulin and platelet support and recovered without sequelae. Subsequent investigations suggested an underlying immune‐mediated thrombocytopenia, which we hypothesize was exacerbated by G‐CSF therapy. Am. J. Hematol., 2007. © 2006 Wiley‐Liss, Inc.
Adolescent girls and criminal activity: Role of MAOA‐LPR genotype and psychosocial factors
Authors: Sjöberg Rickard L. , Nilsson Kent W. , Wargelius Hanna‐Linn , Leppert Jerzy , Lindström Leif , Oreland Lars
Published: October 2006

Recent findings among boys show that interactions between a polymorphism in the monoamine oxidase A gene promoter region (MAOA‐LPR) and psychosocial factors predict criminal activity. The objective of this study was to investigate whether this finding could be extended to adolescent girls. One hundred nineteen female adolescents were recruited among respondents to a cross‐sectional study of the total population of 16‐ and 19‐year old girls. These girls constituted a randomly selected sub‐sample from groups representing different degrees of risk behavior. The subjects filled in a questionnaire and were interviewed and genotyped with regard to MAOA‐LPR. The results indicate that the long, (4‐repeat) allele confer an increased risk for criminal behavior in the presence of psychosocial risk. Among girls without social risk, MAOA‐LPR genotype was of no importance for criminal behavior. The present results suggest that previous observations on adolescent males, which demonstrate that the short MAOA‐LPR genotype and psychosocial adversity interact to predict criminal activity, may not be applicable to females. © 2006 Wiley‐Liss, Inc.
Follow‐up mapping supports the evidence for linkage in the candidate region at 9q22 in the NIMH Alzheimer's disease Genetics Initiative cohort
Authors: Perry Rodney T. , Wiener Howard , Harrell Lindy E. , Blacker Deborah , Tanzi Rudolph E. , Bertram Lars , Bassett Susan S. , Go Rodney C.P.
Published: October 2006

Other than the APOE peak at 19q13, the 9q22 region was identified in our original genomic scan as the candidate region with the highest multipoint lod score (MLS) in the subset of late onset Alzheimer's Disease (AD) families (MLS = 2.9 at 101 cM) from the NIMH Genetics Initiative sample. We have now genotyped an additional 12 short tandem repeats (STR) in this region. Multipoint analysis shows the region remains significant with an increase in the peak MLS from 2.9 to 3.8 at 95 cM near marker D9S1815, and the 1 LOD interval narrows from 21.5 to 11 cM. HLOD scores also provide evidence for significant linkage (4.5 with an α = 31%) with a further narrowing of the region to 6.6 cM (92.2–98.8 cM). Single nucleotide polymorphisms (SNPs) in the Ubiquilin1 gene (UBQLN1), located at 83.3 cM, have been reported to be significantly associated to AD, accounting for a substantial portion of the original linkage signal [Bertram et al., 2005]. Our analyses of the higher resolution genotype data generated here provide further support for the existence of a least one additional locus on chromosome 9q22. In an effort to pinpoint this putative AD susceptibility gene, we have begun to analyze SNPs in other candidate genes in and around this narrowed region to test for additional associations to AD. © 2006 Wiley‐Liss, Inc.
Adjudicating neurocognitive endophenotypes for schizophrenia
Authors: Glahn David C. , Almasy Laura , Blangero John , Burk Gary M. , Estrada Jose , Peralta Juan Manuel , Meyenberg Naxhielli , Castro Mariana Pereira , Barrett Jennifer , Nicolini Humberto , Raventós Henriette , Escamilla Michael A.
Published: October 2006

Although genetic influences on schizophrenia are well established, localization of the genes responsible for this illness has proven extremely difficult. Given evidence that genes predisposing to schizophrenia may be transmitted without expression of the clinical phenotype, efforts have focused on developing endophenotypes. While several neuropsychological measures have been proposed to be endophenotypes, few studies have systematically assessed batteries of neurocognitive tests to determine which tests are most sensitive to liability for the illness. Two hundred sixty‐nine Latino individuals were administered a standard neuropsychological battery. Two hundred fourteen of these were members of families with at least two siblings diagnosed with schizophrenia or schizoaffective disorder. The remaining were community controls without history of major psychiatric illness. Neurocognitive measures found to be heritable were entered into analyses designed to determine which tests covary with the degree of genetic relationship to affected individuals. Although five measures were found to uniquely model genetic liability for schizophrenia, digit symbol coding was the most sensitive. To assess the specificity of these endophenotypes, performance on these measures were compared to family members with bipolar and unipolar affective disorders. These markers clearly distinguished between individuals with psychotic illnesses and those with major depression. As measures contributed uniquely to discriminate individuals at varying risk for schizophrenia, our findings imply multiple independently inherited elements to the liability for the illness. We present a practical model for adjudicating endophenotypes and determining which measures are best suited for use in linkage analyses. © 2006 Wiley‐Liss, Inc.
Glutathione S‐transferase polymorphisms and onset age in α‐synuclein A53T mutant Parkinson's disease
Authors: Golbe Lawrence I. , Iorio Giuseppe Di , Markopoulou Katerina , Athanassiadou Aglaia , Papapetropoulos Spiridon , Watts Ray L. , Vance Jeffery M. , Bonifati Vincenzo , Williams Tanishia A. , Spychala John R. , Stenroos E. Scot , Johnson Williams G.
Published: October 2006

Monogenic forms of Parkinson's disease (PD) provide an opportunity to examine mechanisms underlying phenotypic variation. Glutathione S‐transferase (GST) has detoxification and antioxidative functions. To screen genetic variations in GST for an effect on the onset age (OA) of PD, we typed seven common genetic polymorphisms in five GST isoenzymes, M1, M3, P1, T1, and Z1, in 36 affected individuals of Italian or Greek origin with the α‐synuclein A53T (PARK1) mutation. Mean OA was 45.2 years with a wide SD of 11.03 years, similar to that of idiopathic PD. Our allelic analysis showed that the subjects homozygous for the GSTP1 G‐for‐A nucleotide substitution at position 313 had a mean OA acceleration of 15.2 years (31.3 ± 7.09 years, n = 3 vs. 46.5 ± 10.50 years, n = 33, P = 0.020). The GSTP1 C341T substitution was associated with a 9.7‐year acceleration of OA, but the significance was borderline (36.4 ± 8.35 years vs. 46.7 ± 10.85 years, P = 0.0519). After correction for the five genes examined, both results lose statistical significance. Nevertheless, our results suggest that further investigation in GSTP1 variants and PD pathogenesis is warranted in sporadic PD and that a search for toxins that accelerate PD OA should pay particular attention to GST‐P1 substrates. © 2006 Wiley‐Liss, Inc.
Lipidierte Ras‐ und Rab‐Peptide und ‐Proteine: Synthese, Struktur und Funktion
Authors: Brunsveld Luc , Kuhlmann Jürgen , Alexandrov Kirill , Wittinghofer Alfred , Goody Roger S. , Waldmann Herbert
Published: October 2006

Die chemische Biologie kann als das Studium biologischer Vorgänge mit chemischen Methoden definiert werden. Hierbei werden durch Analyse biologischer Phänomene und ihrer strukturellen Grundlagen ungelöste Probleme erkannt und mithilfe kombinierter Techniken aus der Chemie und der Biologie zu lösen versucht. Im Zuge solcher Studien werden neue Synthesemethoden und ‐strategien entwickelt und zur Herstellung von Verbindungen verwendet, die zur Erforschung biologischer Vorgänge eingesetzt werden. Mit dieser Definition als Leitmotiv fassen wir in diesem Aufsatz die neuesten Erkenntnisse auf dem Gebiet der chemischen Biologie lipidierter Ras‐ und Rab‐Proteine zusammen. Festphasensynthesen haben sich als die bevorzugten Methoden zur Synthese lipidmodifizierter Peptide erwiesen, die über chemisch‐biologische Methoden chemoselektiv an Proteine der Ras‐Superfamilie ligiert werden können. Mithilfe dieser synthetischen Peptide und Proteine ist es gelungen, ungelöste Fragen auf dem Gebiet der Ras‐Superfamilie der GTPasen aufzuklären, die durch chemische oder biologische Methoden alleine nicht zu erschließen waren.
Cover Picture: A Melt Approach to the Synthesis of catena‐Phosphorus Dications To Access Derivatives of [P6Ph4R4]2+ (Angew. Chem. Int. Ed. 40/2006)
Authors: Weigand Jan J. , Burford Neil , Lumsden Michael D. , Decken Andreas
Published: October 2006

A new melt approach has enabled the synthesis of the first catena‐hexaphosphorus dications, as described in the Communication by N. Burford, J. J. Weigand, and co‐workers on page 6733 ff. The cover picture (by Jared MacPherson) shows a photograph of the reaction melt of 4/5 (PhP)5, 2 Ph2PCl, and 2 GaCl3 at 100 °C, which solidifies to yield [P6Ph8][GaCl4]2 quantitatively upon further heating. Such cations represent a new direction in phosphorus chemistry and promise a parallel to catena‐carbon (organic) chemistry.
Bayesian analysis of constant elasticity of variance models
Authors: Chan Jennifer S. K. , Choy S. T. Boris , Lee Anna B. W.
Published: October 2006

This paper focuses on the estimation of some models in finance and in particular, in interest rates. We analyse discretized versions of the constant elasticity of variance (CEV) models where the normal law showing up in the usual discretization of the diffusion part is replaced by a range of heavy‐tailed distributions. A further extension of the model is to allow the elasticity of variance to be a parameter itself. This generalized model allows great flexibility in modelling and simplifies the model implementation considerably using the scale mixtures representation. The mixing parameters provide a means to identify possible outliers and protect inference by down‐weighting the distorting effects of these outliers. For parameter estimation, Bayesian approach is adopted and implemented using the software WinBUGS (Bayesian inference using Gibbs sampler). Results from a real data analysis show that an exponential power distribution with a random shape parameter, which is highly leptokurtic compared with the normal distribution, forms the best CEV model for the data. Copyright © 2006 John Wiley & Sons, Ltd.
Dihydroimidazophenanthridinium (DIP)‐Based DNA Binding Agents with Tuneable Structures and Biological Activity
Authors: Smith Louise V. , Parenty Alexis D. C. , Guthrie Kevin M. , Plumb Jane , Brown Robert , Cronin Leroy
Published: October 2006

We have synthesised a library of dihydroimidazophenanthridinium cations (DIPs) with large structural diversity (1–29) using a “one‐pot” approach. The DNA binding constants of DIPs range from 2×104 to 1.3×105 M−1, and the free energies for binding range from −5.9 to −6.40 kcal mol−1. Viscosity measurements demonstrated that the binding of the compounds caused DNA lengthening, thus signifying binding by intercalation. The cytotoxicities of the compounds were determined by tetrazolium dye‐based microtitration assays and showed a large range of values (0.09–11.7 μM). Preliminary molecular modelling studies of the DNA–DIP interactions suggested that the DIP moieties can interact with DNA by intercalation, and some R groups might facilitate binding by minor‐groove binding. The results provide insight into how to design biologically active DNA binding agents that can interact in these ways.
Flexibility and user‐friendliness of Grid portals: the PROGRESS approach
Authors: Bogdanski Maciej , Kosiedowski Michal , Mazurek Cezary , Rabiega Marzena , Wolniewicz Malgorzata
Published: October 2006

Web portals are one of the possible ways to access the remote computing resources offered by Grid environments. Since the emergence of the first middleware for the Grid, works have been conducted on delivering the functionality of Grid services on the Web. Many interesting Grid portal solutions have been designed help organize remote access to Grid resources and applications from within Web browsers. They are technically advanced and more and more widely used around the world, resulting in feedback from the community. Some of these user comments concern the flexibility and user‐friendliness of the developed solutions. In this paper we present how we addressed the need for a flexible and user‐friendly Grid portal environment within the PROGRESS project and how our approach facilitates the use of the Grid within Web portals. Copyright © 2006 John Wiley & Sons, Ltd.
The GridSAT portal: a Grid Web‐based portal for solving satisfiability problems using the national cyberinfrastructure
Authors: Chrabakh Wahid , Wolski Rich
Published: October 2006

We present a Grid portal problem (which is accessible through http://orca.cs.ucsb.edu/sat_portal) for solving Boolean satisfiability. The portal provides a simple and public interface to a sophisticated and complex Grid application—GridSAT—running on a large set of distributed computational resources hosted in different large‐scale national computing centers (i.e. the national cyberinfrastructure circa 2005). In this paper we describe the design goals of the portal and how it has influenced some of the application features. We also describe how the adaptive and self‐tuning features of Grid applications (written from first principles) make the portal simpler and easier to implement. Copyright © 2006 John Wiley & Sons, Ltd.
Science gateways to DEISA: user requirements, technologies, and the material sciences and plasma physics gateway
Authors: Soddemann Thomas
Published: October 2006

DEISA (Distributed European Infrastructure for Supercomputer Applications) is collecting experience with science gateways in different scientific areas and aims at combining all current efforts. This paper describes the development of the DEISA material sciences and plasma physics Web portal application from the view of a project engineer and software architect. It analyzes user requirements, motivates technology choices, and describes the realization of an application that is very similar to the first release candidate. The outlook gives insight into the development steps currently being undertaken towards a release and the planning phase for a future release, as well as the DEISA aims. Copyright © 2006 John Wiley & Sons, Ltd.
The LEAD Portal: a TeraGrid gateway and application service architecture
Authors: Christie Marcus , Marru Suresh
Published: October 2006

The Linked Environments for Atmospheric Discovery (LEAD) Portal is a science application portal designed to enable effective use of Grid resources in exploring mesoscale meteorological phenomena. The aim of the LEAD Portal is to provide a more productive interface for doing experimental work by the meteorological research community, as well as bringing weather research to a wider class of users, meaning pre‐college students in grades 6–12 and undergraduate college students. In this paper, we give an overview of the LEAD project and the role that LEAD portal is playing in reaching its goals. We then describe the various technologies we are using to bring powerful and complex scientific tools to educational and research users. These technologies—a fine‐grained capability based authorization framework, an application service factory toolkit, and a Web services‐based workflow execution engine and supporting tools—enable our team to deploy these once inaccessible, stovepipe scientific codes onto a Grid where they can be collectively utilized. Copyright © 2006 John Wiley & Sons, Ltd.
Comparison of frameworks for a next‐generation multiphase flow solver, MFIX: a group decision‐making exercise
Authors: Gel A. , Pannala S. , Syamlal M. , O'Brien T. J. , Gel E. S.
Published: October 2006

Computational fluid dynamics (CFD) simulations have emerged as a powerful tool for understanding the multiphase flows that occur in a wide range of engineering applications and natural processes. A multiphase CFD code called Multiphase Flow with Interphase eXchanges (MFIX) has been under development at the National Energy Technology Laboratory (NETL) since the 1980s for modeling the multiphase flows that occur in fossil fuel reactors. CFD codes such as MFIX are equipped with a number of numerical algorithms to solve a large set of coupled partial differential equations over three‐dimensional grids consisting of hundreds of thousands of cells on parallel computers. Currently the next‐generation version of MFIX is under development with the goal of building a multiphase problem‐solving environment (PSE) that would facilitate the simple reuse of modern software components by application scientists. Several open‐source frameworks were evaluated to identify the best‐suited framework for the multiphase PSE. There are many requirements for the multiphase PSE and each of these open‐source frameworks offers functionalities that satisfy the requirements to varying extents. Therefore, matching the requirements and the functionalities is not a simple task and requires a systematic and quantitative decision‐making procedure. We present a multi‐criteria decision‐making approach for determining a major system design decision and demonstrate its application on the framework‐selection problem. Copyright © 2006 John Wiley & Sons, Ltd.
A Synthetic Approach to Asymmetric Phthalocyanines with Peripheral Metal‐Binding Sites
Authors: Haas Marco , Liu Shi‐Xia , Neels Antonia , Decurtins Silvio
Published: October 2006

A phthalonitrile derivative 1, functionalized with two pyridyl groups, undergoes a cyclotetramerization reaction to afford the symmetric metal‐free phthalocyanine 2 with peripheral metal‐binding sites. In view of its insufficient solubility in organic solvents, a synthetic route to asymmetric peripherally octasubstituted Pcs, which contain a combination of 2,3‐di(2‐pyridyl)pyrazino and p‐pentylphenoxy or p‐(tert‐butyl)phenoxy substituent groups, has been developed. The compounds 5–9 were synthesized by a statistical condensation reaction between two different phthalonitriles, and remarkably, all of them have been isolated and characterized as single compounds. For structural characterization, an X‐ray study of the asymmetric Zn phthalocyanine 11 is given. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
Premature termination of treatment in an inpatient eating disorder programme
Authors: Masson Philip C. , Perlman Christopher M. , Ross Stuart A. , Gates April L.
Published: October 2006

This retrospective study was conducted to explore rates, timing and predictors of two forms of premature termination of treatment (PTT) in an inpatient eating disorders programme: patient dropout (DO) and administrative discharge (AD). A chart review was conducted to obtain demographic, Eating Disorder Inventory‐2 (EDI‐2), and Resident Assessment Instrument‐Mental Health (RAI‐MH) data for 186 patients being treated for bulimia nervosa (BN), anorexia nervosa (AN), or eating disorder not otherwise specified (EDNOS). Overall, of the 37.6% of patients who terminated treatment prematurely, 22.1% of patients dropped out, and 15.5% of patients were administratively discharged. Time at which discharge occurred was found to be associated with the type of premature termination. The presence of DSM‐IV Axis‐I comorbidity was found to be the only factor associated with an increased risk of being administratively discharged. No factors were predictive of patients dropping out of treatment. The findings support the notion that AD and patient DO are different events that may have different factors influencing their rates and timing. Implications for future research and programme planning are discussed. Copyright © 2006 John Wiley & Sons, Ltd and Eating Disorders Association.
Simulation of the dissolution of weathered versus unweathered limestone in carbonic acid solutions of varying strength
Authors: Thornbush M. J. , Viles H. A.
Published: October 2006

A simulation was undertaken within a climatic chamber to investigate limestone dissolution under varied carbonic acid (H2CO3) strengths as a possible analogue for future increases in atmospheric CO2 arising from global warming. Twenty‐eight samples cut from a block of Bath (Box Hill) limestone from Somerville College, Oxford, which had been removed during restoration after 150 years in an urban environment, were weighed and placed in closed bottles of thin plastic containing varying concentrations of H2CO3. Half of the stone samples were derived from exposed surfaces of the stone block (weathered) while the others were obtained from the centre of the block on unexposed surfaces (unweathered). The purpose of this was to compare dissolution of previously weathered versus unweathered surfaces in strong (pH 4·73) versus weak (pH 6·43) solutions of H2CO3. A temperature of c. 19 °C was maintained within the chamber representing a plausible future temperature in Oxford for the year 2200 given current warming scenarios. The simulation lasted 25 days with a few stone samples being removed midway. Stone samples show reduced weight in all cases but one. There was greater dissolution of stone samples in a strong H2CO3 solution as conveyed by higher concentrations of total hardness and Ca2+ in the water samples as well as enhanced microscopic dissolution features identified using SEM. The simulation confirms that enhanced atmospheric CO2 under global warming, given adequate moisture, will accelerate dissolution rates particularly of newly replaced limestone building stones. However, previously weathered surfaces, such as those on historical stone exposed for a century or more, appear to be less susceptible to the effects of such increased rainfall acidity. Conservation techniques which remove weathered surfaces, such as stone cleaning, may accelerate future decay of historical limestone structures by increasing their susceptibility to dissolution. Copyright © 2006 John Wiley & Sons, Ltd.
Laboratory simulation of the salt weathering of schist: II. Fragmentation of fine schist particles
Authors: Wells Tony , Willgoose Garry , Binning Philip
Published: October 2006

Recent developments in long term landform evolution modelling have created a new demand for quantitative salt weathering data, and in particular data describing the size distribution of the weathered rock fragments. To enable future development of rock breakdown models for use in landscape evolution and soil production models, laboratory work was undertaken to extend existing schist/salt weathering fragmentation studies to include an examination of the breakdown of sub‐millimetre quartz chlorite schist particles in a seasonally wet tropical climate. Laser particle sizing was used to assess the impact of different experimental procedures on the resulting particle size distribution. The results reveal that salt weathering under a range of realistic simulated tropical wet season conditions produces a significant degree of schist particle breakdown. The fragmentation of the schist is characterized by splitting of the larger fragments into mid‐sized product with finer material produced, possibly from the breakdown of mid‐sized fragments when weathering is more advanced. Salinity, the salt addition method and temperature were all found to affect weathering rates. Subtle differences in mineralogy also produce variations in weathering patterns and rates. It is also shown that an increase in drying temperature leads to accelerated weathering rates, however, the geometry of the fracture process is not significantly affected. Copyright © 2006 John Wiley & Sons, Ltd.
The leaf essential oil of Murraya crenulata (Turcz.) Oliver from New Caledonia
Authors: Hnawia E. , Cabalion P. , Raunicher I. , Waikedre J. , Patissou J. , G. Buchbauer  , Menut C.
Published: October 2006

The essential oil of Murraya crenulata (Turcz.) Oliver (Rutaceae) was obtained from fresh leaves by hydrodistillation of plant material collected in Lifou, Loyalty Islands, New Caledonia. Analysis by a combination of GC and GC–MS indicates a characteristic chemical composition dominated by p‐menthane derivatives, mainly perilla aldehyde (73.2%), limonene (8.2%), perilla alcohol (6.5%) and its acetate (6.0%). Copyright © 2006 John Wiley & Sons, Ltd.
Numerical simulation of the galvanizing process during GA to GI transition
Authors: Ilinca F. , Ajersch F. , Baril C. , Goodwin F. E.
Published: October 2006

This paper presents the application of a three‐dimensional finite element solution algorithm for the prediction of the velocity, temperature and species concentration fields in an industrial continuous galvanizing bath. Simulations were carried out using a parallel CFD software developed at IMI‐NRC. The turbulent flow, heat and mass transfer has been solved using a high Reynolds number k–ε model. Simulations were carried out for the case when the density of the molten metal depends only on the temperature and also for the case when both temperature and Al concentration affect the density. When considering the buoyancy effect of the Al concentration, differences are especially apparent during the melting of ingots with high Al content. Otherwise, thermal effects are dominant. The continuous monitoring of the temperature and the Al and Fe content in an industrial bath was used to validate the flow, temperature and compositional variations. A period of three hours, corresponding to three different ingot additions, was simulated successfully, resulting in a good agreement of the temperature and compositional variations. Copyright © 2006 Crown in the right of Canada. Published by John Wiley & Sons, Ltd.
Direct numerical simulation of spanwise rotating turbulent channel flow with heat transfer
Authors: Liu Nan‐Sheng , Lu Xi‐Yun
Published: October 2006

Direct numerical simulation of spanwise rotating turbulent channel flow with heat transfer has been performed. The objective of this study is to reveal the effect of system rotation on the characteristics of turbulent flow, heat transfer, and large‐scale motions in rotating turbulence. The Reynolds number is 194, the Prandtl number is 0.71, and the rotation number varies from 0 to 7.5, based on the global friction velocity, the channel half‐height, and the angular speed of the spanwise rotating channel. To elucidate the effect of rotation on turbulent flow and heat transfer behaviours, some typical statistical quantities, including the mean velocity, temperature and their fluctuations, turbulent heat fluxes, and the structures of the velocity and temperature fluctuations, are analysed. The budget terms in the transport equation of turbulent heat flux are examined to deal with the effect of Coriolis force on turbulent heat transfer. Since rotational‐induced Taylor–Görtler‐like large‐scale counter‐rotating streamwise vortices (i.e. the roll cells) occur, the decomposition of the instantaneous temperature variance and turbulent heat flux is used to reveal the role of the rotational‐induced structures on the thermal statistics. Copyright © 2006 John Wiley & Sons, Ltd.
A computational solution of hydromagnetic‐free convective flow past a vertical plate in a rotating heat‐generating fluid with Hall and ion‐slip currents
Authors: Naroua H.
Published: October 2006

Taking Hall and ion‐slip current into account, the unsteady magnetohydrodynamic heat‐generating free convective flow of a partially ionized gas past an infinite vertical plate in a rotating frame of reference is investigated theoretically. A computer program using finite elements is employed to solve the coupled non‐linear differential equations for velocity and temperature fields. The effects of Hall and ion‐slip currents as well as the other parameters entering into the problem are discussed extensively and shown graphically. Copyright © 2006 John Wiley & Sons, Ltd.
Imaging brain activity during natural vision using CASL perfusion fMRI
Authors: Rao Hengyi , Wang Jiongjiong , Tang Kathy , Pan Wei , Detre John A.
Published: October 2006

Functional MRI (fMRI) has begun to be used to explore human brain activity during ecological and natural conditions. Arterial spin labeling (ASL) perfusion fMRI provides an appealing approach for imaging sustained brain activity during natural conditions because of its long‐term temporal stability and ability to noninvasively quantify absolute cerebral blood flow (CBF). The present study used ASL perfusion fMRI to measure brain activation patterns associated with natural vision by concurrently recording CBF and blood oxygen level‐dependent (BOLD) contrasts while subjects were freely viewing a cartoon movie. Reliable quantitative whole‐brain CBF values (∼60 mL/100g/min) as well as regional CBF values (45∼80 mL/100g/min) were measured during movie viewing and resting states. The perfusion contrast revealed CBF increases in multiple visual pathway areas and frontal areas, and CBF decreases in ventromedial frontal cortex and superior temporal cortex during movie viewing compared to resting states. Concurrent BOLD contrast revealed similar but weaker activation and deactivation patterns. Regression analyses of both CBF data and BOLD data showed significant associations between activation in the middle temporal (MT) region and subjects' perception of motion. Region of interest analysis based on a priori literature‐defined MT demonstrated significant monotonic stepwise associations between the intensity of motion perception and the CBF and BOLD signal changes. These results demonstrate the feasibility of using ASL perfusion fMRI for imaging both sustained and dynamic effects in neural activation during natural and ecologically valid situations, and support the notion of maintained functional segregation and specialization during natural vision. Hum Brain Mapp, 2006. © 2006 Wiley‐Liss, Inc.