bluuebunny/crossref_metadata_2025 huggingface dataset:
An adaptive prediction and detection algorithm for multistream syndromic surveillance
Authors: Najmi Amir-Homayoon , Magruder Steve F
Published: October 2005

Background

Surveillance of Over-the-Counter pharmaceutical (OTC) sales as a potential early indicator of developing public health conditions, in particular in cases of interest to biosurvellance, has been suggested in the literature. This paper is a continuation of a previous study in which we formulated the problem of estimating clinical data from OTC sales in terms of optimal LMS linear and Finite Impulse Response (FIR) filters. In this paper we extend our results to predict clinical data multiple steps ahead using OTC sales as well as the clinical data itself.

Methods

The OTC data are grouped into a few categories and we predict the clinical data using a multichannel filter that encompasses all the past OTC categories as well as the past clinical data itself. The prediction is performed using FIR (Finite Impulse Response) filters and the recursive least squares method in order to adapt rapidly to nonstationary behaviour. In addition, we inject simulated events in both clinical and OTC data streams to evaluate the predictions by computing the Receiver Operating Characteristic curves of a threshold detector based on predicted outputs.

Results

We present all prediction results showing the effectiveness of the combined filtering operation. In addition, we compute and present the performance of a detector using the prediction output.

Conclusion

Multichannel adaptive FIR least squares filtering provides a viable method of predicting public health conditions, as represented by clinical data, from OTC sales, and/or the clinical data. The potential value to a biosurveillance system cannot, however, be determined without studying this approach in the presence of transient events (nonstationary events of relatively short duration and fast rise times). Our simulated events superimposed on actual OTC and clinical data allow us to provide an upper bound on that potential value under some restricted conditions. Based on our ROC curves we argue that a biosurveillance system can provide early warning of an impending clinical event using ancillary data streams (such as OTC) with established correlations with the clinical data, and a prediction method that can react to nonstationary events sufficiently fast. Whether OTC (or other data streams yet to be identified) provide the best source of predicting clinical data is still an open question. We present a framework and an example to show how to measure the effectiveness of predictions, and compute an upper bound on this performance for the Recursive Least Squares method when the following two conditions are met: (1) an event of sufficient strength exists in both data streams, without distortion, and (2) it occurs in the OTC (or other ancillary streams) earlier than in the clinical data.
Expression of Placenta growth factor (PlGF) in non-Small cell Lung cancer (NSCLC) and the clinical and prognostic significance
Authors: Zhang Lijian , Chen Jinfeng , Ke Yang , Mansel Robert E , Jiang Wen G
Published: October 2005

Background

Placenta growth factor (PlGF) is a member of the vascular endothelial growth factor (VEGF) family. Over-expression of PlGF is known to be associated with pathological angiogenesis. This study examined PlGF expression at protein and message levels in non-small cell lung cancer (NSCLC), in which no reports on the significance of PlGF expression is available to date.

Patients and methods

We used immunohistochemistry to assess the PlGF protein and correlated PlGF with microvessel density (MVD), as well as clinical outcome in patients with NSCLC tumours (n = 91). In addition, we applied a real time quantitative PCR assay using SYBR Green chemistry to measure PlGF mRNA in normal lung tissues and NSCLC tumours.

Results

PlGF was positively stained mainly in cytoplasm of lung cancer cells. High level staining of PlGF was found in 38.5% NSCLC patients. A high level of MVD in NSCLC was found in 42.9% of cases. Tumours with high level and low level PlGF staining had a significantly different MVD (26.69 vs. 20.79, respectively, p = 0.003). Using both univariate and multivariate analyses, PlGF was found to be an independent prognostic factor. Real time PCR analysis revealed that PlGF mRNA was higher in the cancer tissue than normal tissue (0.95 ± 0.19 vs. 0.57 ± 0.24; p < 0.005) and that PlGF mRNA was significant higher in III-IV stage patients than in I-II stage patients (1.03 ± 0.20 vs. 0.80 ± 0.17; p = 0.011).

Conclusion

PlGF expression is significantly more in NSCLC tumour tissues than in matched normal tissues. It has a significant positive association with MVD and is an independent factor for NSCLC patients. PlGF may have a pivotal role in NSCLC development and disease progression.
Circulating immune parameters predicting the progression from hospital-acquired pneumonia to septic shock in surgical patients
Authors: von Dossow Vera , Rotard Koschka , Redlich Uwe , Hein Ortrud Vargas , Spies Claudia D
Published: October 2005

Introduction

Hospital-acquired pneumonia after surgery is one of the major causes of septic shock. The excessive inflammatory response appears to be responsible for the increased susceptibility to infections and subsequent sepsis. The primary aim of this study was to investigate immune parameters at the onset of pneumonia, before the development of subsequent septic shock. The secondary aim was to investigate the usefulness of these immune parameters in predicting progression from hospital-acquired pneumonia to septic shock.

Methods

This propective clinical study included 76 patients with the diagnosis of hospital-acquired pneumonia. Approval was obtained from the local institutional ethics committee and relatives of the patients gave informed consent. Of the 76 patients, 29 subsequently developed septic shock. All patients were included within 4 h of establishing the diagnosis of hospital-acquired pneumonia (first collection of blood samples and the analysis of immune mediators). In addition, we defined early (within 12 h of onset of septic shock) and late (within 72 to 96 h of onset) stages of septic shock for the collection of blood samples and the analysis of immune mediators. The immune parameters tumor necrosis factor-α, IL-1β, IL-6, IL-8 and IL-10 as well as the endothelial leucocyte adhesion molecule were analyzed.

Results

In the pneumonia group with subsequent septic shock, levels of IL-1β, IL-6, IL-8 and IL-10 were significantly increased before the onset of septic shock compared to patients without subsequent septic shock. This progression was best predicted by IL-1β, IL-6, IL-8 and IL-10 (area under the curve ≥ 0.8).

Conclusion

At the onset of hospital-acquired pneumonia, a significant relevant systemic cytokine mediated response had already been initiated. It might, therefore, be possible to identify patients at risk for septic shock with these predictive markers during early pneumonia. In addition, immune modulating therapy might be considered as adjuvant therapy.
Do Facial Movements Express Emotions or Communicate Motives?
Authors: Parkinson Brian
Published: October 2005

This article addresses the debate between emotion-expression and motive-communication approaches to facial movements, focusing on Ekman's (1972) and Fridlund's (1994) contrasting models and their historical antecedents. Available evidence suggests that the presence of others either reduces or increases facial responses, depending on the quality and strength of the emotional manipulation and on the nature of the relationship between interactants. Although both display rules and social motives provide viable explanations of audience “inhibition ” effects, some audience facilitation effects are less easily accommodated within an emotion-expression perspective. In particular emotion is not a sufficient condition for a corresponding “expression,” even discounting explicit regulation, and, apparently, “spontaneous ”facial movements may be facilitated by the presence of others. Further, there is no direct evidence that any particular facial movement provides an unambiguous expression of a specific emotion. However, information communicated by facial movements is not necessarily extrinsic to emotion. Facial movements not only transmit emotion-relevant information but also contribute to ongoing processes of emotional action in accordance with pragmatic theories.
A conserved RNA-protein complex component involved in physiological germline apoptosis regulation inC. elegans
Authors: Boag Peter R. , Nakamura Akira , Blackwell T. Keith
Published: October 2005

Two conserved features of oogenesis are the accumulation of translationally quiescent mRNA, and a high rate of stage-specific apoptosis. Little is understood about the function of this cell death. In C. elegans,apoptosis occurring through a specific `physiological' pathway normally claims about half of all developing oocytes. The frequency of this germ cell death is dramatically increased by a lack of the RNA helicase CGH-1, orthologs of which are involved in translational control in oocytes and decapping-dependent mRNA degradation in yeast processing (P) bodies. Here, we describe a predicted RNA-binding protein, CAR-1, that associates with CGH-1 and Y-box proteins within a conserved germline RNA-protein (RNP) complex, and in cytoplasmic particles in the gonad and early embryo. The CGH-1/CAR-1 interaction is conserved in Drosophila oocytes. When car-1 expression is depleted by RNA interference (RNAi), physiological apoptosis is increased,brood size is modestly reduced, and early embryonic cytokinesis is abnormal. Surprisingly, if apoptosis is prevented car-1(RNAi) animals are characterized by a progressive oogenesis defect that leads rapidly to gonad failure. Elevated germ cell death similarly compensates for lack of the translational regulator CPB-3 (CPEB), orthologs of which function together with CGH-1 in diverse organisms. We conclude that CAR-1 is of critical importance for oogenesis, that the association between CAR-1 and CGH-1 has been conserved, and that the regulation of physiological germ cell apoptosis is specifically influenced by certain functions of the CGH-1/CAR-1 RNP complex. We propose that this cell death pathway facilitates the formation of functional oocytes, possibly by monitoring specific cytoplasmic events during oogenesis.
The Dorsocross T-box genes are key components of the regulatory network controlling early cardiogenesis inDrosophila
Authors: Reim Ingolf , Frasch Manfred
Published: October 2005

Cardiac induction in Drosophila relies on combinatorial Dpp and Wg signaling activities that are derived from the ectoderm. Although some of the actions of Dpp during this process have been clarified, the exact roles of Wg,particularly with respect to myocardial cell specification, have not been well defined. Our present study identifies the Dorsocross T-box genes as key mediators of combined Dpp and Wg signals during this process. The Dorsocross genes are induced within the segmental areas of the dorsal mesoderm that receive intersecting Dpp and Wg inputs. Dorsocross activity is required for the formation of all myocardial and pericardial cell types, with the exception of the Eve-positive pericardial cells. In an early step, the Dorsocross genes act in parallel with tinman to activate the expression of pannier, a cardiogenic gene encoding a Gata factor. Our loss- and gain-of-function studies, as well as the observed genetic interactions among Dorsocross, tinman and pannier, suggest that co-expression of these three genes in the cardiac mesoderm, which also involves cross-regulation, plays a major role in the specification of cardiac progenitors. After cardioblast specification, the Dorsocross genes are re-expressed in a segmental subset of cardioblasts, which in the heart region develop into inflow valves (ostia). The integration of this new information with previous findings has allowed us to draw a more complete pathway of regulatory events during cardiac induction and differentiation in Drosophila.
HSPG synthesis by zebrafish Ext2 and Extl3 is required for Fgf10 signalling during limb development
Authors: Norton William H. J. , Ledin Johan , Grandel Heiner , Neumann Carl J.
Published: October 2005

Heparan sulphate proteoglycans (HSPGs) are known to be crucial for signalling by the secreted Wnt, Hedgehog, Bmp and Fgf proteins during invertebrate development. However, relatively little is known about their effect on developmental signalling in vertebrates. Here, we report the analysis of daedalus, a novel zebrafish pectoral fin mutant. Positional cloning identified fgf10 as the gene disrupted in daedalus. We find that fgf10 mutants strongly resemble zebrafish ext2 and extl3 mutants, which encode glycosyltransferases required for heparan sulphate biosynthesis. This suggests that HSPGs are crucial for Fgf10 signalling during limb development. Consistent with this proposal, we observe a strong genetic interaction between fgf10 and extl3 mutants. Furthermore, application of Fgf10 protein can rescue target gene activation in fgf10, but not in ext2 or extl3 mutants. By contrast, application of Fgf4 protein can activate target genes in both ext2 and extl3mutants, indicating that ext2 and extl3 are differentially required for Fgf10, but not Fgf4, signalling during limb development. This reveals an unexpected specificity of HSPGs in regulating distinct vertebrate Fgfs.
A Sigmoidal Model for Superplastic Deformation
Authors: Pan W , Krohn M , Leen S B , Hyde T H , Walløe S
Published: October 2005

A new phenomenological model, designed to capture the sigmoidal nature of stress dependency on strain rate for superplastic deformation, is presented. The model is developed for the Ti-6Al-2Sn-4Zr-2Mo alloy using data obtained under controlled strain-rate tensile tests spanning a range of strain rates and temperatures, from 930 to 980 °C. The sigmoidal model performance is compared with that of a more conventional double-power law, strain, and strain-rate hardening model using time-dependent finite element and theoretical analyses. The primary intended application of the sigmoidal model is for more accurate simulation of the effects of strain-rate variation within test specimens and sheet during superplastic deformation. Analysis of this variation within two designs of tensile test specimens is presented to illustrate this aspect.
Capability of B-Type Natriuretic Peptide (BNP) and Amino-Terminal proBNP as Indicators of Cardiac Structural Disease in Asymptomatic Patients with Systemic Arterial Hypertension
Authors: Mueller Thomas , Gegenhuber Alfons , Dieplinger Benjamin , Poelz Werner , Haltmayer Meinhard
Published: October 2005

Background: The aim of the present study was to prospectively evaluate the diagnostic utility of B-type natriuretic peptide (BNP) and amino-terminal proBNP (NT-proBNP) measurements for the detection of cardiac structural disease in asymptomatic patients with systemic arterial hypertension and to test the hypothesis that the 2 analytes are equally useful in this clinical setting.

Methods: We studied a consecutive series of 149 asymptomatic patients referred for echocardiographic evaluation of the cardiac effects of systemic arterial hypertension. Diagnosis of cardiac structural disease was based on the presence of systolic or diastolic dysfunction, left atrial dilatation, left ventricular dilatation or hypertrophy, pulmonary hypertension, and wall motion or valvular abnormalities. Blood concentrations of BNP and NT-proBNP were measured by 2 commercially available assays (Abbott AxSYM and Roche Elecsys, respectively). Diagnostic accuracies of BNP and NT-proBNP were assessed by ROC curve analysis. Areas under the curves were compared by analysis of equivalency.

Results: In distinguishing between hypertensive patients with cardiac structural disease (n = 118) and hypertensive patients without (n = 31), areas under the curves were 0.740 (95% confidence interval, 0.662–0.808) for BNP and 0.762 (0.685–0.828) for NT-proBNP and were significantly equivalent (P = 0.015). Cutoff values with a 90% sensitivity for cardiac structural disease were 17 ng/L for BNP and 39 ng/L for NT-proBNP, with 29% and 32% specificity, respectively.

Conclusions: BNP and NT-proBNP have similar capabilities for detecting cardiac structural disease in asymptomatic patients with systemic arterial hypertension. However, in the setting evaluated, a screening strategy relying on measurement of BNP or NT-proBNP may be of limited value because of the low specificity at the selected cutoff values.
Consensus of DGKL and VDGH for interim reference intervals on enzymes in serum Konsensus von DGKL und VDGH zu vorläufigen Referenzbereichen für Serumenzyme
Authors: Thomas Lothar , Müller Matthias , Schumann Gerhard , Weidemann Gerhard , Klein Gerhard , Lunau Stephan , Pick Karl-Heinz , Sonntag Oswald
Published: October 2005

In response to proposals of scientific associations the German Medical Association recommended the use of international standard procedures for the determination of enzymes and a change of the measurement temperature to 37°C in 1992. According to the recommendations, reference intervals for the new reference procedures should have been published by 1995. After a transition period, which had been extended several times, the clinical chemistry laboratories finally had to follow the recommendations and to use the new IFCC reference procedures as of April 1, 2003. However, reference intervals evaluated in a multicentre study have not been published until now. There is only one German study on preliminary upper reference limits of five enzymes in serum of hospitalized subjects using the new IFCC reference procedures. Since no multicentre study is intended in the near future, an expert working group of DGKL and VDGH recommended the use of preliminary reference intervals on enzymes in serum until final values have been determined. The interim values result from experiences of the past 3 years, from previous studies in different countries using comparable methodologies, or were derived from reference intervals obtained at 25°C and converted by method and temperature conversion factors.
Monitoring of platelet activation and function after ischemic stroke Thrombozytenaktivität und -funktion nach ischämischem zerebralem Insult
Authors: Marquardt Lars , J. Grau Armin
Published: October 2005

Assessment of platelet activation after ischemic stroke could be clinically valuable if platelet markers existed that predict the risk of recurrent events and reflect the effect of antiplatelet therapy. Recently developed techniques such as the detection of activation-dependent neoantigens on the platelet surface by flow cytometry, the platelet function analyzer (PFA), or whole blood aggregometry represent methods that in the future could become helpful tools in stroke care. Studies showed an increased expression of activation-dependent markers such as CD62p (p-selectin) or CD63 after ischemic stroke, however, for these and other parameters it remains unclear whether an increased expression at any time point after stroke heralds an increased risk of future events. Sufficiently powered studies on the predictive value of platelet activation parameters and on effects of antiplatelet agents on these parameters after stroke are required in order to validate the potential clinical usefulness of these recently developed techniques.
Preliminary Investigation of Air Bubbling and Dietary Sulfur Reduction to Mitigate Hydrogen Sulfide and Odor from Swine Waste
Authors: Clark O. Grant , Morin Brent , Zhang Yongcheng , Sauer Willem C. , Feddes John J. R.
Published: October 2005

When livestock manure slurry is agitated, the sudden release of hydrogen sulfide (H2S) can raise concentrations to dangerous levels. Low‐level air bubbling and dietary S reduction were evaluated as methods for reducing peak H2S emissions from swine (Sus scrofa) manure slurry samples. In a first experiment, 15‐L slurry samples were stored in bench‐scale digesters and continuously bubbled with air at 0 (control), 5, or 10 mL min−1 for 28 d. The 5‐L headspace of each digester was also continuously ventilated at 40 mL min−1 and the mean H2S concentration in the outlet air was <10 μL L−1 On Day 28, the slurry was agitated suddenly. The peak H2S concentration exceeded instrument range (>120 μL L−1) from the control treatment, and was 47 and 3.4 μL L−1 for the 5 and 10 mL min−1 treatments, respectively. In a second experiment, individually penned barrows were fed rations with dietary S concentrations of 0.34, 0.24, and 0.15% (w/w). Slurry derived from each diet was bubbled with air in bench‐scale digesters, as before, at 10 mL min−1 for 12 d and the mean H2S concentration in the digester outlet air was 11 μL L−1 On Day 12, the slurry was agitated but the H2S emissions did not change significantly. Both low‐level bubbling of air through slurry and dietary S reduction appear to be viable methods for reducing peak H2S emissions from swine manure slurry at a bench scale, but these approaches must be validated at larger scales.
Effect of Manure on Escherichia coli Attachment to Soil
Authors: Guber A. K. , Shelton D. R. , Pachepsky Ya. A.
Published: October 2005

Attachment of bacteria to soil is an important component of bacterial fate and transport. Escherichia coli are commonly used as indicators of fecal contamination in the environment. Despite the fact that E. coli are derived exclusively from feces or manure, effect of the presence of manure colloids on bacteria attachment to agricultural soils was never directly studied. The objective of this work was to evaluate the magnitude of the effect of manure on E. coli attachment to soil. Escherichia coli attachment to soil was studied in batch experiments with samples of loam and sandy clay loam topsoil that were taken in Pennsylvania and Maryland. Escherichia coli cells were added to the water–manure suspensions containing 0, 20, and 40 g L−1 of filtered liquid bovine manure, which subsequently were equilibrated with air‐dry sieved soil in different soil to suspension ratios. The Langmuir isotherm equation was fitted to data. Manure dramatically affected E. coli attachment to soil. Attachment isotherms were closer to linear without manure and were strongly nonlinear in the presence of manure. The maximum E. coli attachment occurred in the absence of manure. Increasing manure content generally resulted in decreased attachment.
A Time Domain Reflectometry Coaxial Cell for Manipulation and Monitoring of Water Content and Electrical Conductivity in Variably Saturated Porous Media
Authors: Jones Scott B. , Mace R. William , Or Dani
Published: October 2005

Time domain reflectometry (TDR) is an effective and accurate method for determination of porous media dielectric permittivity (i.e., for soil water content) and electrical conductivity (EC). Characterization of these properties using controlled wetting or drying of the porous media is of interest for studying and quantifying porous media physical and chemical properties. Our objectives were to develop a TDR measurement cell providing sample water content adjustment and solution exchange capability without repacking or disturbing the sample. A coaxial cell provides a well‐defined sample packing volume in which radial distribution of the electromagnetic field averages the transmission line measurements over the entire sample. Using concentric porous stainless steel tubes as electrical conductors, complete or partial saturation of the porous medium (via matric potential control) was possible with the additional key advantage of soil solution exchange without changes in pore space or sample porosity. Solution exchange and suction adjustment were controlled through the center tube with influent solution (ECw) entering the sample through the outer wall and for unsaturated measurements an air inlet port facilitates air exchange. The cell was temperature controlled using an external PVC jacket connected to a circulating water bath. Both saturated and unsaturated measurements of electrical conductivity resulted in excellent agreement between measurements and model predictions. Permittivity measurements were dependent on cell orientation, likely due to differences in the water distribution within the cell. The utility of this new coaxial TDR pressure cell design for porous media research is the ability to simultaneously measure dielectric and ECb in a fixed pore space where water content and solution electrical conductivity are adjustable.
Solubility and diffusivity of hydrofluorocarbons in room‐temperature ionic liquids
Authors: Shiflett Mark B. , Yokozeki A.
Published: October 2005

Gaseous absorption measurements of hydrofluorocarbons (trifluoromethane, difluoromethane, pentafluoroethane, 1,1,1,2‐tetrafluoroethane, 1,1,1‐trifluoroethane, and 1,1‐difluoroethane) in l‐n‐butyl‐3‐methylimidazolium hexafluorophosphate ([bmim][PF6]) and 1‐n‐butyl‐3‐methylimidazolium tetrafluoroborate ([bmim][BF4]) were performed using a gravimetric microbalance at various isothermal conditions (temperatures between 283.15 and 348.15 K) and at pressures < 2 MPa. This report shows for the first time the solubility and diffusivity data for the hydrofluorocarbons in room‐temperature ionic liquids and surprisingly large differences in the solubility among the hydrofluorocarbons. Experimental gas solubility data were successfully correlated with well‐known solution models (Margules, Wilson, and NRTL activity coefficient equations). Diffusivities obtained from the time‐dependent absorption data were well analyzed using a diffusivity model developed in this study. The present solubility and diffusivity data are also compared with those of CO2, studied in our previous study. © 2005 American Institute of Chemical Engineers AIChE J, 2006
1,1‐Organoboration of silylethynyltin compounds studied by multinuclear magnetic resonance spectroscopy: isomerization at the CC bonds and electron‐deficient SiHB bridges
Authors: Wrackmeyer Bernd , Tok Oleg L. , Khan Azim , Badshah Amin
Published: October 2005

1,1‐Organoboration, using triethyl‐, triallyl‐ and triphenyl‐borane (BEt3, BAll3, BPh3), of dimethysilylethynyl(trimethyl)stannane, Me3SnCCSi(H)Me2 (1), affords alkenes bearing three different organometallic groups at the CC bond. For BEt3 and BPh3, the first products are the alkenes 4 with boryl and stannyl groups in cis‐positions. These rearrange by consecutive 1,1‐deorganoboration and 1,1‐organoboration into the isomers 5 as the final products, where boryl and silyl groups are in cis‐positions linked by an electron‐deficient SiHB bridge. 1,1‐Ethylboration of bis(dimethylsilylethynyl)dimethylstannane, Me2Sn[CCSi(H)Me2]2 (2), leads to the stannacyclopentadiene 6 along with non‐cyclic di(alkenyl)tin compounds 7 and 8. 1,1‐Ethylboration of ethynyl(trimethylstannylethynyl)methylsilane, Me(H)Si(CCSnMe3)CCH (3), leads selectively to a new silacyclopentadiene 13 as the final product. The reactions were monitored and the products were characterized by multinuclear magnetic resonance spectroscopy (1H, 11B, 13C, 29Si and 119Sn NMR). Copyright © 2005 John Wiley & Sons, Ltd.
A convenient synthesis of methylindium(III) dithiolate complexes—precursors for indium sulfides
Authors: Ghoshal Shamik , Kushwah Nisha P. , Dutta Dimple P. , Jain Vimal K.
Published: October 2005

Methylindium(III) dithiolate complexes of the general formulae [Me2In(S∩S)] (1) and [MeIn(S∩S)2] (2) [S∩S = (EtO)2PS2−, (PriO)2PS2−, Et2NCS2−, $\hbox{Pr}^{\rm i}_{2}\hbox{NCS}{_{2}}^{-}$, O(CH2CH2)2NCS2−, EtOCS2− and PriOCS2−] have been isolated conveniently by the reaction of Me3In·OEt2 with In(S∩S)3 (3) in an appropriate stoichiometry. Both 1 and 2 have been characterized by indium analysis, IR, NMR (1H, 13C{1H} and 31P{H}) and mass spectral data. NMR data of 3 are also included for comparison. The Me–In and S∩S resonances are sensitive to the number of methyl groups attached to indium metal. The mass spectral data indicate that these complexes are monomeric in nature. The thermal behavior of a few complexes has been investigated. The xanthate and dithiocarbamate complexes on pyrolysis under dynamic vacuum or flowing nitrogen atmosphere gave either In2S3 or a mixture of InS, In2S3 and In6S7, which were characterized using EDAX and powder XRD. Copyright © 2005 John Wiley & Sons, Ltd.
Enantiomeric 1,2,4‐Trioxanes Display Equivalent in vitro Antimalarial Activity Versus Plasmodium falciparum Malaria Parasites: Implications for the Molecular Mechanism of Action of the Artemisinins
Authors: O’Neill Paul M. , Rawe Sarah L. , Borstnik Kristina , Miller Alison , Ward Stephen A. , Bray Patrick G. , Davies Jill , Oh Chang Ho , Posner Gary H.
Published: October 2005

The aim of this study was to synthesise pure enantiomers of potent antimalarial 1,2,4‐trioxanes, which are related to the natural antimalarial artemisinin, and then to assay each against a panel of Plasmodium falciparum strains. The working hypothesis was that if the artemisinin derivatives interact with a specific protein‐target site, then there should be stereoselective differences in their activity. In five different P. falciparum isolates, however, the trioxane enantiomers (+)‐7 a, (−)‐7 a and (+)‐7 b, (−)‐7 b, showed the same level of in vitro antiparasitic activity.
Synthesis, Characterization and Biological Activity of trans‐Platinum(II) and trans‐Platinum(IV) Complexes with 4‐Hydroxymethylpyridine
Authors: Martínez Alberto , Lorenzo Julia , Prieto Maria J. , de Llorens Rafael , Font‐Bardia Mercè , Solans Xavier , Avilés Francesc X. , Moreno Virtudes
Published: October 2005

The synthesis and chemical characterization of two new trans platinum complexes, trans‐[PtCl2NH3(4‐hydroxymethylpyridine)] (1) and trans‐[PtCl4NH3(4‐hydroxymethylpyridine)] (2) are described. Their ability to interact with 5′‐GMP by themselves and in the presence of reducing agents in the case of trans‐[PtCl4NH3(4‐hydroxymethylpyridine)] were tested. Circular dichroism, electrophoretic mobility in agarose gel, and atomic force microscopy studies showed that the interaction of complex 1 with DNA is stronger than that of complex 2. Cytotoxicity tests against HL‐60 tumor cells also showed higher activity for trans‐[PtCl2NH3(4‐hydroxymethylpyridine)] than for trans‐[PtCl4NH3(4‐hydroxymethylpyridine)]. Complex 1 presents similar behavior to cisplatin, but with a lower IC50 at 24 h. Complex 1 also showed high apoptosis induction.
Expanding the Number of Stable Isomeric Structures of the C80 Cage: A New Fullerene Dy3N@C80
Authors: Yang Shangfeng , Dunsch Lothar
Published: October 2005

The production, isolation, and spectroscopic characterization of a new Dy3N@C80 cluster fullerene that exhibits three isomers (1–3) is reported for the first time. In addition, the third isomer (3) forms a completely new C80 cage structure that has not been reported in any endohedral fullerenes so far. The isomeric structures of the Dy3N@C80 cluster fullerene were analyzed by studying HPLC retention behavior, laser desorption time‐of‐flight (LD‐TOF) mass spectrometry, and UV‐Vis‐NIR and FTIR spectroscopy. The three isomers of Dy3N@C80 were all large band‐gap (1.51, 1.33, and 1.31 eV for 1–3, respectively) materials, and could be classified as very stable fullerenes. According to results of FTIR spectroscopy, the Dy3N@C80 (I) (1) was assigned to the fullerene cage C80:7 (Ih), whereas Dy3N@C80 (II) (2) had the cage structure of C80:6 (D5h). The most probable cage structure of Dy3N@C80 (III) (3) was proposed to be C80:1 (D5d). The significant differences between Dy3N@C80 and other reported M3N@C80 (M=Sc, Y, Gd, Tb, Ho, Er, Tm) cluster fullerenes are discussed in detail, and the strong influence of the metal on the nitride cluster fullerene formation is concluded.
An Investigation of Lanthanum Coordination Compounds by Using Solid‐State 139La NMR Spectroscopy and Relativistic Density Functional Theory
Authors: Willans Mathew J. , Feindel Kirk W. , Ooms Kristopher J. , Wasylishen Roderick E.
Published: October 2005

Lanthanum‐139 NMR spectra of stationary samples of several solid LaIII coordination compounds have been obtained at applied magnetic fields of 11.75 and 17.60 T. The breadth and shape of the 139La NMR spectra of the central transition are dominated by the interaction between the 139La nuclear quadrupole moment and the electric field gradient (EFG) at that nucleus; however, the influence of chemical‐shift anisotropy on the NMR spectra is non‐negligible for the majority of the compounds investigated. Analysis of the experimental NMR spectra reveals that the 139La quadrupolar coupling constants (CQ) range from 10.0 to 35.6 MHz, the spans of the chemical‐shift tensor (Ω) range from 50 to 260 ppm, and the isotropic chemical shifts (δiso) range from −80 to 178 ppm. In general, there is a correlation between the magnitudes of CQ and Ω, and δiso is shown to depend on the La coordination number. Magnetic‐shielding tensors, calculated by using relativistic zeroth‐order regular approximation density functional theory (ZORA‐DFT) and incorporating scalar only or scalar plus spin–orbit relativistic effects, qualitatively reproduce the experimental chemical‐shift tensors. In general, the inclusion of spin–orbit coupling yields results that are in better agreement with those from the experiment. The magnetic‐shielding calculations and experimentally determined Euler angles can be used to predict the orientation of the chemical‐shift and EFG tensors in the molecular frame. This study demonstrates that solid‐state 139La NMR spectroscopy is a useful characterization method and can provide insight into the molecular structure of lanthanum coordination compounds.
A Versatile Bis‐Porphyrin Tweezer Host for the Assembly of Noncovalent Photoactive Architectures: A Photophysical Characterization of the Tweezers and Their Association with Porphyrins and Other Guests
Authors: Flamigni Lucia , Talarico Anna Maria , Ventura Barbara , Rein Regis , Solladié Nathalie
Published: October 2005

A bis(ZnII–porphyrin) tweezer host with anthracene components as apex and side‐arms has been synthesized. Mono‐ (pyridine) and bidentate (4,4′‐bipyridine) guests were used as models for single and double axial coordination inside the cavity, respectively. A series of dipyridylporphyrin guests with different substitution patterns and excited‐state energy levels have association constants with the tweezers that are of the order of 106 M−1, which is indicative of complexation with the inside of the cavity. This complexation can only occur upon an important distortion of the cavity that opens the bite by about 30 %. This characteristic, in conjunction with their ability to reduce the bite distance by rotation around single bonds, makes these porphyrin tweezers amongst the most versatile so far reported, with tuning of the bite distance in the range of approximately 5–20 Å. Energy transfer to the free‐base guest within the triporphyrin complex is nearly quantitative (95–98 %) and the rates of transfer are consistent with a Förster mechanism that is characterized by a reduced orientation factor.
Cover Picture: On the Formation of Aliphatic Polycarbonates from Epoxides with Chromium(III) and Aluminum(III) Metal–Salen Complexes (Chem. Eur. J. 21/2005)
Authors: Luinstra Gerrit A. , Haas Gerhard R. , Molnar Ferenc , Bernhart Volker , Eberhardt Robert , Rieger Bernhard
Published: October 2005

A better understanding of the formation of aliphatic polycarbonates from propylene oxide and CO2 is presented by G. A. Luinstra, F. Molnar, B. Rieger et al. in their Full Paper on page 6298 ff. They describe experimental and DFT investigations for the homogeneous reaction using chromium(III)–and aluminum(III)–salen catalysts as well as for their mixtures.
Experiments on robustness and deception in a coalition formation model
Authors: Belmonte M. V. , Conejo R. , Perez‐de‐la‐Cruz J. L. , Triguero F.
Published: October 2005

In the last few years coalition formation algorithms have been proposed as a possible way of modeling autonomous agent cooperation in multi‐agent systems. This work is based on a previously proposed coalition formation model founded on game theory for a class of task‐oriented problems that guarantees an optimum task allocation and a stable profit division. In this paper we study two properties of the model that are very important for application in real‐life scenarios: robustness and tolerance to an agent's misbehavior. First, we study the robustness of this model as regards the effect the agent's failure has on the resultant profits of the coalition formation. Secondly, we also study the coalition formation model in the presence of misbehaving agents. Agents have some kind of execution autonomy, and they can deceive or mislead each other when they reveal their information, if they believe this will give them more profits. Copyright © 2005 John Wiley & Sons, Ltd.
The transparent implementation of agent communication contexts
Authors: Di Stefano Antonella , Pappalardo Giuseppe , Santoro Corrado , Tramontana Emiliano
Published: October 2005

Agent Communication Contexts (ACCs) are virtual environments where agents may live and interact. In this way, as in a human society, interactions may be subject to conventions and laws depending on the context where they occur. For this to be possible, an ACC should embed the communication laws relevant to the intended class of agent applications and enforce them, as interactions among agents take place. Although context is a communication aspect relevant for all the agents of an application, its modelling should be, in principle, an orthogonal concern with respect to the design of the activities of each agent. Consistently with this view, this work advocates the separate development of, respectively, agent behaviour, and the interaction aspects constituting the context. The latter is first abstractly specified as a set of communication laws, then automatically implemented by a tool that generates the necessary ACC management and checking code from the specification. The appropriate portions of this code should be activated whenever an interaction between agents takes place, so as to ensure that (i) the constraints specified by the laws are respected by the interaction, and (ii) the actions some of the laws require are carried out before the interaction actually occurs. Moreover, this work proposes an infrastructure whereby ACC code is triggered at runtime, whenever agents interact with each other. No source code modification or recompilation is required for this. All is seamlessly accomplished by means of computational reflection, which transparently changes the meaning of the communication primitives normally used by agent programmers. Copyright © 2005 John Wiley & Sons, Ltd.
Self‐maintained distributed tuples for field‐based coordination in dynamic networks
Authors: Mamei Marco , Zambonelli Franco
Published: October 2005

Field‐based coordination is a promising approach to orchestrating the activities of components in a wide range of application scenarios. To implement such an approach, one can rely on distributed tuples injected into a network and then propagated to form field‐like distributed data structures to be sensed by application components. Moreover, to gain the full benefits from such an approach, it is important to enable the distributed tuples to preserve their structures despite the dynamics of the network. In this paper, we show how a variety of self‐maintained distributed tuples for field‐based coordination can be easily programmed in the Tuples On The Air (TOTA) middleware. Several examples clarify the approach, and a case study is detailed throughout the paper to ground the discussion. Eventually, performance data are presented to verify the effectiveness of the approach. Copyright © 2005 John Wiley & Sons, Ltd.
In Situ Space‐ and Time‐Resolved Sorption Kinetics of Anionic Dyes on Individual LDH Crystals
Authors: Roeffaers Maarten B. J. , Sels Bert F. , Loos Davey , Kohl Christopher , Müllen Klaus , Jacobs Pierre A. , Hofkens Johan , De Vos Dirk E.
Published: October 2005

Fluorescence spectroscopy is employed to follow the ion exchange of an emissive dye—a carboxylated perylene imide—on a layered double hydroxide. The exchange of the carboxylate ions starts at the edges of the layered double hydroxide crystals and is followed by diffusion to the basal plane. Such space‐resolved observations provide a solid basis for modelling and studying the mechanisms of exchange.
Two‐Photon Photochromism of Diarylethene Dimer Derivatives
Authors: Saita Shingo , Yamaguchi Tadatsugu , Kawai Tsuyoshi , Irie Masahiro
Published: October 2005

Photochromic diarylethene dimer derivatives with large two‐photon absorption (TPA) cross‐sections have been designed and synthesized. The derivatives have a D–π–D structure in which indole rings are used as donor units (D) and 1,4‐bis(ethynyl)benzene or 1,4‐bis(ethenyl)benzene as a π‐conjugated chain unit (π). Compound 5 a, which has oxazole rings as one of the aryl groups, showed a TPA cross‐section of 23 GM at 820 nm and exhibited efficient two‐photon photochromic reactivity.
Macrophage migration inhibitory factor promotes innate immune responses by suppressing glucocorticoid‐induced expression of mitogen‐activated protein kinase phosphatase‐1
Authors: Roger Thierry , Chanson Anne‐Laure , Knaup‐Reymond Marlies , Calandra Thierry
Published: October 2005

The pro‐inflammatory cytokine macrophage migration inhibitory factor (MIF) acts as a physiological counter‐regulator of the immuno‐suppressive effects of glucocorticoids. However, the mechanisms whereby MIF exerts its counter‐balancing effect remain largely unknown. Here we report that MAPK phosphatase 1 (MKP‐1), an archetypal member of dual specificity phosphatase that inactivates MAPK activity in response to pro‐inflammatory stimuli, is a critical target of MIF‐glucocorticoid crosstalk. Recombinant MIF counter‐regulated in a dose‐dependent fashion dexamethasone inhibition of TNF and IL‐8 production by RAW 264.7 macrophages and U‐937 promonocytes stimulated with lipoplysaccharides (LPS) or with LPS plus phorbol 12‐myristate 13‐acetate. Stimulation of RAW 264.7 macrophages with dexamethasone or dexamethasone plus LPS led to a robust up‐regulation of MKP‐1 mRNA and protein expressions that were counter‐regulated by addition of recombinant MIF. Antisense MIF macrophages expressing reduced levels of endogenous MIF produced higher amount of MKP‐1 and lower amount of TNF after exposure to dexamethasone and dexamethasone plus LPS, indicating that endogenous MIF acts in an autocrine fashion to override glucocorticoid‐induced MKP‐1 expression and inhibition of cytokine production. Taken together, these data identify MKP‐1 as a molecular target of MIF‐glucocorticoid crosstalk and provide a molecular basis for the control of macrophage responses by a pair of physiological regulators of innate immunity.

See accompanying commentary: http://dx.doi.org/10.1002/eji.200535556
Fabrication of chondroitin sulfate‐chitosan composite artificial extracellular matrix for stabilization of fibroblast growth factor
Authors: Mi Fwu‐Long , Shyu Shin‐Shing , Peng Chih‐Kang , Wu Yu‐Bey , Sung Hsing‐Wen , Wang Pei‐Shan , Huang Chi‐Chuan
Published: October 2005

The development of a novel, three‐dimensional, macroporous artificial extracellular matrix (AECM) based on chondroitin sulfate (ChS)‐chitosan (Chito) combination is reported. The composite AECM composed of ChS‐Chito conjugated network was prepared by a homogenizing interpolyelectrolyte complex/covalent conjugation technique through co‐crosslinked with N,N‐(3‐dimethylaminopropyl)‐N′‐ethyl carbodiimide (EDC) and N‐hydroxysuccinimide (NHS). In contrast to EDC/NHS, two different reagents, calcium ion and glutaraldehyde, were used to react with ChS or Chito for the preparation of ChS‐Chito composites containing crosslinked ChS or Chito network in the matrix. The stability and in vitro enzymatic degradability of the glutaraldehyde‐, EDC/NHS‐, and Ca2+‐crosslinked ChS‐Chito composite AECMs were all investigated in this study. The results showed that crosslinking improved the stability of prepared ChS‐Chito AECMs in physiological buffer solution (PBS) and provided superior protective effect against the enzymatic hydrolysis of ChS, compared with their non‐crosslinked counterpart. Because ChS was a heparin‐like glycosaminoglycan (GAG), the ChS‐Chito composite AECMs appeared to promote binding efficiency for basic fibroblast growth factor (bFGF). The bFGF releasing from the ChS‐Chito composite AECMs retained its biological activity as examined by the in vitro proliferation of human fibroblast, depending on the crosslinking mode for the preparation of these composite AECMs. Histological assay showed that the EDC/NHS‐crosslinked ChS‐Chito composite AECM, after incorporated with bFGF, was biodegradable and could result in a significantly enhanced vascularization effect and tissue penetration. These results suggest that the ChS‐Chito composite AECMs fabricated in this study may be a promising approach for tissue‐engineering application. © 2005 Wiley Periodicals, Inc. J Biomed Mater Res, 2006
Photostimulation of two types of Ca2+ waves
in rat pheochromocytoma PC12 cells by ultrashort pulsed
near-infrared laser irradiation
Authors: Smith N I , Iwanaga S , Beppu T , Fujita K , Nakamura O , Kawata S
Published: October 2005

We show that focused laser irradiation can generate
Ca2+ waves in differentiated PC12 cells, using highly
penetrating and locally acting near-infrared femtosecond pulsed
laser light. Similar to photolytic uncaging experiments,
intracellular Ca2+ concentrations could be elevated to
produce a whole cell Ca2+ rise, but without the requirement
for caged Ca2+. Irradiation of subcellular volumes in the
soma or in PC12 neurites generated a relatively slow calcium rise
(speed ∼20 μm/s). Less frequently, a fast calcium rise
(speed >1200 μm/s) was observed, consistent with laser-induced
membrane depolarization. The probability of Ca2+ generation
increased with laser power and was found to be the same in
excitable (PC12) and non-excitable (HeLa) cells.
Commitment decisions with partial information updating
Authors: Ferguson Mark E. , DeCroix Gregory A. , Zipkin Paul H.
Published: October 2005

In this paper, we extend the results of Ferguson M. Naval Research Logistics 50, 2003, 917–936. on an end‐product manufacturer's choice of when to commit to an order quantity from its parts supplier. During the supplier's lead‐time, information arrives about end‐product demand. This information reduces some of the forecast uncertainty. While the supplier must choose its production quantity of parts based on the original forecast, the manufacturer can wait to place its order from the supplier after observing the information update. We find that a manufacturer is sometimes better off with a contract requiring an early commitment to its order quantity, before the supplier commits resources. On the other hand, the supplier sometimes prefers a delayed commitment. The preferences depend upon the amount of demand uncertainty resolved by the information as well as which member of the supply chain sets the exchange price. We also show conditions where demand information updating is detrimental to both the manufacturer and the supplier. © 2005 Wiley Periodicals, Inc. Naval Research Logistics, 2005
Multifunctional, water‐soluble, C60‐pendant maleic anhydride copolymer
Authors: Aldea Gabriela , Chitanu Gabrielle C. , Delaunay Jacques , Nunzi Jean‐Michel , Simionescu Bogdan C. , Cousseau Jack
Published: October 2005

Starting from the synthesis of a new methanofullerene derivative bearing an alcohol group, we report on the preparation of a water‐soluble, fullerene‐pendant copolymer. This multifunctional, C60‐pendant maleic anhydride copolymer was characterized by conductometric titration, Fourier transform infrared and ultraviolet spectroscopy, thermogravimetric analysis, and cyclic voltammetry. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 43: 5814–5822, 2005
High‐pressure X‐ray diffraction study of EuWO4 to 12 GPa
Authors: Errandonea Daniel
Published: October 2005

In‐situ high‐pressure X‐ray diffraction studies were performed on EuWO4 to 12 GPa. We found that EuWO4 transforms from the tetragonal I41/a structure to the monoclinic I2/a structure at 8.5(5) GPa, being this phase transition re‐ versible. No other structural change is detected up to 12 GPa. The EOS of EuWO4 is determined from the pressure–volume data. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)