bluuebunny/crossref_metadata_2025 huggingface dataset:
Contrast‐enhanced MRI of brown adipose tissue after pharmacological stimulation
Authors: Sbarbati Andrea , Cavallini Isabella , Marzola Pasquina , Nicolato Elena , Osculati Francesco
Published: February 2006

A non‐invasive method for studying the modifications induced in lipid depots by hormonal stimulation could extend knowledge of adipose tissues. We studied the effect of adrenergic stimulation on interscapular brown adipose tissue (IBAT) of rats using contrast‐enhanced MRI. Controls and rats pre‐treated with adrenaline 40 s before the acquisition of pre‐contrast images were used. In the control group, IBAT showed an enhancement of 56 ± 29%, whereas adrenaline pre‐treatment resulted in a significantly higher value (83 ± 49%, P < 0.05). In the control group, the skeletal muscle of the anterior limb showed an enhancement of 24 ± 12%, while adrenaline pre‐treatment led to a higher value (26 ± 10%), although the difference was not significant. In the control group, the skeletal muscle adjacent to the IBAT showed an enhancement of 30 ± 13%, while adrenaline pre‐treatment resulted in a non‐significantly higher value (33 ± 10%). In both groups, enhancement values in the muscle adjacent to the IBAT were significantly higher than the values in the muscle of the anterior limb (P < 0.05). This study demonstrates the feasibility of detecting the effect of hormonal stimulation on small fat depots. The demonstration of greater blood flow in the muscles surrounding the IBAT than in the muscles of the anterior limb suggests that the muscles of the back operate in synergy with the IBAT. Magn Reson Med, 2006. © 2006 Wiley‐Liss, Inc.
Cortical versus spinal dysfunction in amyotrophic lateral sclerosis
Authors: Attarian Shahram , Vedel Jean‐Pierre , Pouget Jean , Schmied Annie
Published: February 2006

Little is known about the possible link between cortical and spinal motor neuron dysfunction in amyotrophic lateral sclerosis (ALS). We correlated the characteristics of the responses to transcranial magnetic stimulation (TMS) with the electromechanical properties and firing pattern of single motor units (MUs) tested in nine ALS patients, three patients with Kennedy's disease, and 15 healthy subjects. In Kennedy's disease, 19 of 22 MUs were markedly enlarged with good electromechanical coupling and discharged with great variability. Their excitatory responses increased with MU size. In ALS, 17 of 34 MUs with excitatory responses behaved as in Kennedy's disease. By contrast, 28 MUs with nonsignificant responses showed poor electromechanical coupling and high firing rates, whereas 28 MUs with inhibitory responses showed moderate functional alterations. This result indicates that in ALS as in Kennedy's disease, sprouting of corticospinal axons may occur on surviving motoneurons. A clear relationship exists between the responsiveness of MUs to TMS and their functional state. Muscle Nerve, 2006
Poly(propylene)/clay nanocomposites and their application in flame retardancy
Authors: Hu Yuan , Tang Yong , Song Lei
Published: February 2006

Poly(propylene)/clay nanocomposites were prepared by a “one step” method, using pristine montmorillonite (MMT) with surfactant loading at different ratios. The nanocomposite structure was examined using X‐ray diffraction (XRD), transmission electron microscopy (TEM) and high resolution electron microscopy (HREM). This study showed that the presence of maleic anhydride modified poly(propylene) (MAPP) and the ratio of surfactant to MMT both influenced the dispersion of MMT in the hybrids. The thermal stability and flame retardant property were investigated; the synergistic effect between MMT and an intumescent flame retardant and the flame retardant mechanism are discussed in this paper. Copyright © 2006 John Wiley & Sons, Ltd.
Flame‐retardant unsaturated polyester resin incorporating nanoclays
Authors: Nazaré S. , Kandola B. K. , Horrocks A. R.
Published: February 2006

This work reports the use of polymer‐layered silicate nanoclays as potential flame retardants in unsaturated polyester resins. Preparation, characterization and flammability properties of polyester‐clay hybrids have been studied. X‐ray diffraction studies have provided evidence that dispersion of functionalized clays in the polymer matrix depends on the type of functional group of the organic modifier used. Flammability properties studied using cone calorimetry suggests that incorporation of nanoclays (5% w/w) reduces peak heat release rate (PHRR) by 23–27% and total heat release (THR) values by 4–11%. The fire growth rate index (FIGRA) is also reduced by 23–30% following nanoclay inclusion. While incorporation of condensed‐phase flame retardants such as ammonium polyphosphate, melamine phosphate and alumina trihydrate reduce the PHRR and THR values of polyester resin, the inclusion of small amounts of nanoclay (5% w/w) in combination with these char‐promoting flame retardants causes total reductions of the PHRR of polyester resin in the range 60–70%. Ammonium polyphosphate, in particular and in combination with polyester‐nanoclay hybrids show the best results compared to other flame retardants. Copyright © 2006 John Wiley & Sons, Ltd.
Stress‐transfer micromechanics for fiber length with a photocure vinyl ester composite
Authors: Petersen Richard C. , Lemons Jack E. , McCracken Michael S.
Published: February 2006

The objective was to test how increasing fiber length above the critical length would influence mechanical properties and fracture crack propagation. Micromechanics considering fiber/matrix stress‐transfer was used to evaluate the results in addition to a shear debonding volume percent correction term necessary for the final analysis. Fiber lengths of 0.5, 1.0, 2.0, 3.0, and 6.0 mm with 9 μm diameters were added into a photocure vinyl ester particulate‐filled composite at a uniform 28.2 vol%. Mechanical flexural testing was performed using four‐point fully articulated fixtures for samples measuring 2 × 2 × 50 mm3 across a 40 mm span. Fiber length correlated with improved mechanical properties for flexural strength, modulus, yield strength, strain, work of fracture, and strain energy release, p < 0.001. In addition, sample fracture depth significantly decreased with increasing fiber lengths, p < 0.00001. All mechanical properties correlated significantly as predictors for fracture failure, p < 0.000001, and as estimators for each other, p < 0.0001. The stress‐transfer micromechanics for fiber length were improved upon for strength by including a simple correction factor to account for loss of fiber volume percent related to cracks deflecting around debonded fiber ends. In turn, the elastic property of modulus was shown to exhibit a tendency to follow stress‐transfer micromechanics. Polym. Compos. 27:153–169, 2006. © 2006 Society of Plastics Engineers.
Static and dynamic behavior of single‐edge notched glass fabric composites
Authors: Papanicolaou G.C. , Mouzakis D.E. , Kosmidou Th.V. , Economopoulos G.
Published: February 2006

This article describes the results of a series of tests conducted to support the development of a semiempirical model, for predicting the mechanical degradation of a satin weave glass fabric composite, with through‐thickness damage in the form of a crack‐like edge‐centered notch. Test specimens were subjected to loading in both static three‐point bending and dynamic mechanical thermal analysis (DMTA) tests. The effect of both notch length and displacement rate, on the static and that of notch length on the dynamic behavior of the materials tested, was evaluated and compared with respective predictions, as derived from the application of the residual property model. A satisfactory agreement between the experimental results and theoretical predictions was observed in all cases. Scanning electron microscopy was applied to observe the failure topographical characteristics of the DMTA specimens that were off‐plane loaded. POLYM. COMPOS. 27:177–183, 2006. © 2006 Society of Plastics Engineers.
Use of psychotropic drugs in 0 to 5 years old children in Aquitaine (France): prevalence and associated factors
Authors: Lévy Laurie , Martin‐Guehl Corinne , Lechevallier‐Michel Nathalie , Noize Pernelle , Moore Nicholas , Latry Philippe , Fourrier‐Réglat Annie
Published: February 2006

Purpose

To describe the use of psychotropic drugs in children aged 0–5 years, in the Aquitaine region of South‐west France and identify associated socio‐demographic, familial and medical factors.

Methods

Data used in this study come from the regional drug claims database of the National Health Insurance System of Aquitaine and from postal self‐questionnaires sent to parents and prescribing physicians.

Results

In Aquitaine, psychotropic drugs were redeemed at least once in 2002 for 3.2% of young children. Hydroxyzine, niaprazide or diazepam were claimed at least once by 2.7% of children registered in the database. Prescribers were mostly general practitioners (76.7%) and pediatricians (20.1%). Psychotropic claims were more frequent in children having the highest number of medical consultations in 2002 (more than 7: odds ratio (OR) = 1.5 [95% confidence interval (CI): 1.3–1.7]) or of drug deliveries (7–15 deliveries: OR = 1.8 [95%CI: 1.6–2.1]; more than 15 deliveries: OR = 3.2 [95%CI: 2.7–3.9]). Psychotropic claim frequency increased with age. No association of psychotropic use with parental psychotropic use, socio‐professional category and familial situation was found.

Conclusions

Psychotropic delivery prevalence in Aquitaine in young children was below 5% in 2002. It notably concerned drugs of which the use is not devoid of toxicity because of anticholinergic properties. Copyright © 2006 John Wiley & Sons, Ltd.
Feature extraction in the analysis of proteomic mass spectra
Authors: Wang Xuena , Zhu Wei , Pradhan Kith , Ji Chen , Ma Yeming , Semmes Oliver John , Glimm James , Mitchell Joseph
Published: February 2006

Feature extraction or biomarker selection is a critical step in disease diagnosis and knowledge discovery based on protein MS. Many studies have discussed the classification methods applied in proteomics; however, few could be found to address feature extraction in detail. In this paper, we developed a systematic approach for the extraction of mass spectrum peak apex and peak area with special emphasis on noise filtration and peak calibration. Application to a head and neck cancer data generated at the Eastern Virginia Medical School [Wadsworth, J. T., Somers, K. D., Cazares, L. H., Malik, G. et al.., Clin. Cancer Res. 2004, 10, 1625–1632] revealed that the new feature extraction method would yield consistent and highly discriminatory biomarkers.
Relationship between the polymer/silica interaction and properties of silica composite materials
Authors: Guyard Aurélien , Persello Jacques , Boisvert Jean‐Philippe , Cabane Bernard
Published: February 2006

Cast film composites have been prepared from aqueous polymer solutions containing nanometric silica particles. The polymers were polyvinyl alcohol (PVA), hydroxypropylmethylcellulose (HPMC) and a blend of PVA‐HPMC polymers. In the aqueous dispersions, the polymer–silica interactions were studied through adsorption isotherms. These experiments indicated that HPMC has a high affinity for silica surfaces, and can adsorb at high coverage; conversely, low affinity and low coverage were found in the case of PVA. In the films, the organization of silica particles was investigated through transmission electron microscopy (TEM) and small‐angle neutron scattering (SANS). Both methods showed that the silica particles were well‐dispersed in the HPMC films and aggregated in the PVA films. The mechanical properties of the composite films were evaluated using tensile strength measurements. Both polymers were solid materials, with a high‐elastic modulus (65 MPa for HPMC and 291 for PVA) and a low‐maximum elongation at break (0.15 mm for HPMC and 4.12 mm for PVA). In HPMC films, the presence of silica particles led to an increase in the modulus and a decrease in the stress at break. In PVA films, the modulus decreased but the stress at break increased upon adding silica. Accordingly, the polymer/silica interaction can be used to tune the mechanical properties of such composite films. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 1134–1146, 2006
Psychological adjustment of cancer caregivers with multiple roles
Authors: Kim Youngmee , Baker Frank , Spillers Rachel L. , Wellisch David K.
Published: February 2006

Guided by the role strain and the role enhancement theories, this study examined the effect of caregivers' multiple roles, such as being employed and taking care of minors in their household, on their psychological adjustment.

Of the caregivers who completed the American Cancer Society's Quality of Life Survey for Caregivers, 457 caregivers who were middle‐aged (18–64) and provided complete data for the study variables were included in the analyses. The indicators of the outcome variables, namely, the levels of the caregivers' psychological adjustment, were cancer caregiving stress, management of meaning out of providing care, and negative and positive affect.

Multivariate general linear modeling analyses revealed that employed caregivers who were also taking care of children reported higher levels of caregiving stress and negative affect. In contrast, employed caregivers who were not taking care of children reported greater levels of managing meaning of caregiving experience.

The findings provide partial support for the role strain theory, that the more social roles a caregiver carries out, the more likely the caregiver is to experience stress and negative affect. The findings also suggest that when providing care for cancer survivors, caregivers may benefit from being employed. These findings have significant implications for developing targeted programs to reduce the psychological distress of cancer caregivers with multiple roles and to assist them in recognizing their caregiving experience as meaningful. Copyright © 2006 John Wiley & Sons, Ltd.
Relict blockfields in the Ligurian Alps (Mount Beigua, Italy)
Authors: Firpo M. , Guglielmin M. , Queirolo C.
Published: February 2006

The area around Monte Beigua is characterized by accumulations of large blocks. Survey indicates the occurrence of flow structures on the surfaces of the blockfields, and a pattern of long axis orientation aligned in the same direction as the local gradient. Blocks are often imbricated upslope at the front. The formation of block streams is tentatively attributed to cold‐climate conditions during the Pleistocene. Copyright © 2006 John Wiley & Sons, Ltd.
Prostate specific membrane antigen (PSMA) expression gives prostate cancer cells a growth advantage in a physiologically relevant folate environment in vitro
Authors: Yao Veronica , Bacich Dean J.
Published: February 2006

BACKGROUND

Prostate specific membrane antigen (PSMA) expression is correlated with stage and grade of prostate cancer suggesting that it confers a growth advantage. We studied if PSMA folate hydrolase activity provides cells a growth advantage in a low folate (LF) micro‐environment by hydrolyzing extracellular poly‐γ‐glutamated folate to a form that cells can import.

METHODS

Proliferation of LNCaP and DU‐145 cells was assessed in media containing low (LF), physiological (PF), or high (HF) folate with or without penta‐γ‐glutamated folate and a PSMA specific folate hydrolase inhibitor, 2‐(phosphonomethyl)‐pentanedioic acid (2‐PMPA).

RESULTS

LNCaP cells, which express PSMA, and DU‐145 cells, which do not, displayed decreased proliferation when grown in LF or PF compared to HF media. This reduction in proliferation was eliminated in LNCaP cells when penta‐γ‐glutamated folate was added to the media. In the presence of penta‐γ‐glutamated folic acid DU‐145 cells displayed increased growth but this was still significantly lower than growth in HF medium. Addition of 2‐PMPA attenuated the increased growth seen in LNCaP cells but had no effect on DU‐145 cell growth.

CONCLUSIONS

The folate hydrolase activity of PSMA may provide a growth advantage in LF and PF environments. Prostate © 2006 Wiley‐Liss, Inc.
The expression of xenobiotic‐metabolizing enzymes in human prostate and in prostate epithelial cells (PECs) derived from primary cultures
Authors: Al‐Buheissi S.Z. , Cole K.J. , Hewer A. , Kumar V. , Bryan R.L. , Hudson D.L. , Patel H.R. , Nathan S. , Miller R.A. , Phillips D.H.
Published: February 2006

BACKGROUND

Dietary heterocyclic amines (HCAs) are carcinogenic in rodent prostate requiring activation by enzymes such as cytochrome P450 (CYP) and N‐acetyltransferase (NAT).

METHODS

We investigated by Western blotting and immunohistochemistry the expression of CYP1A1, CYP1A2, and NAT1 in human prostate and in prostate epithelial cells (PECs) derived from primary cultures and tested their ability to activate the dietary carcinogen 2‐amino‐3‐methylimidazo[4,5‐f]quinoline (IQ) and its N‐hydroxy metabolite (N‐OH‐IQ) to DNA‐damaging moieties.

RESULTS

Western blotting identified CYP1A1, CYP1A2, and NAT1. Immunohistochemistry localized NAT1 to the cytoplasm of PECs. Inter‐individual variation was observed in the expression levels of CYP1A1, 1A2, and NAT1 (11, 75, and 35‐fold, respectively). PECs expressed CYP1A1 and NAT1 but not CYP1A2. When incubated with IQ or N‐OH‐IQ, PECs formed DNA adducts indicating their ability to metabolically activate these compounds.

CONCLUSIONS

Prostate cells possess the capacity to activate dietary carcinogens. PECs may provide a useful model system to study their role in prostate carcinogenesis. Prostate © 2006 Wiley‐Liss, Inc.
Structures of intact glycoproteins from vibrational circular dichroism
Authors: Shanmugam Ganesh , Polavarapu Prasad L.
Published: February 2006

Vibrational circular dichroism (VCD) spectra for the glycoproteins α1‐acid glycoprotein (AGP) and bovine submaxillary mucin (BSM), have been measured in D2O solutions and for the films prepared from aqueous (H2O) buffer solutions in the 1800 to 900 cm−1 region. The solution VCD results revealed that AGP has β‐sheet structure, along with a significant amount of α‐helix as evidenced from a W pattern in the amide I region. The VCD of BSM solution suggested a polyproline II type structure, characterized by the appearance of strong negative couplet in the amide I region. The film VCD results on AGP and BSM suggested that the secondary structures of polypeptide fold in the film state are similar to those in the solution. The absence of any significant film VCD in the low frequency region (1200–900 cm−1), suggested that the dominant linkage for carbohydrate residues is likely to be a β linkage. VCD spectroscopy gains importance in the secondary structural analysis of polypeptide fold in glycoproteins due to the absence of interfering VCD from the carbohydrate residues in the conformationally sensitive amide I region. Also, film VCD studies permit measurements in the low wavenumber region (1200–900 cm−1) that reveal the dominant type of linkage for carbohydrate residues. Such clear structural information is unlike that from ECD, where ECD bands of acylated amino sugar residues interfere with those of polypeptide backbone in the conformationally sensitive far‐UV region. Proteins 2006. © 2006 Wiley‐Liss, Inc.
Crystal structure of VC0702 at 2.0 Å: Conserved hypothetical protein from Vibrio cholerae
Authors: Ni Shuisong , Forouhar Farhad , Bussiere Dirksen E. , Robinson Howard , Kennedy Michael A.
Published: February 2006

VC0702, a conserved hypothetical protein of unknown function from Vibrio cholerae, resides in a three‐gene operon containing the MbaA gene that encodes for a GGDEF and EAL domain‐containing protein which is involved in regulating formation of the extracellular matrix of biofilms in Vibrio cholerae. The VC0702 crystal structure has been determined at 2.0 Å and refined to Rwork = 22.8% and Rfree = 26.3%. VC0702 crystallized in an orthorhombic crystal lattice in the C2221 space group with dimensions of a = 66.61 Å, b = 88.118 Å, and c = 118.35 Å with a homodimer in the asymmetric unit. VC0702, which forms a mixed α + β three‐layered αβα sandwich, belongs to the Pfam DUF84 and COG1986 families of proteins. Sequence conservation within the DUF84 and COG1986 families was used to identify a conserved patch of surface residues that define a cleft and potential substrate‐binding site in VC0702. The three‐dimensional structure of VC0702 is similar to that of Mj0226 from Methanococcus janeschii, which has been identified as a novel NTPase that binds NTP in a deep cleft similarly located to the conserved patch of surface residues that define an analogous cleft in VC0702. Collectively, the data suggest that VC0702 may have a biochemical function that involves NTP binding and phosphatase activity of some kind, and is likely involved in regulation of the signaling pathway that controls biofilm formation and maintenance in Vibrio cholerae. Proteins 2006. © 2006 Wiley‐Liss, Inc.
Theoretical model of restriction endonuclease HpaI in complex with DNA, predicted by fold recognition and validated by site‐directed mutagenesis
Authors: Skowronek Krzysztof J. , Kosinski Jan , Bujnicki Janusz M.
Published: February 2006

Type II restriction enzymes are commercially important deoxyribonucleases and very attractive targets for protein engineering of new specificities. At the same time they are a very challenging test bed for protein structure prediction methods. Typically, enzymes that recognize different sequences show little or no amino acid sequence similarity to each other and to other proteins. Based on crystallographic analyses that revealed the same PD‐(D/E)XK fold for more than a dozen case studies, they were nevertheless considered to be related until the combination of bioinformatics and mutational analyses has demonstrated that some of these proteins belong to other, unrelated folds PLD, HNH, and GIY‐YIG. As a part of a large‐scale project aiming at identification of a three‐dimensional fold for all type II REases with known sequences (currently ∼ 1000 proteins), we carried out preliminary structure prediction and selected candidates for experimental validation. Here, we present the analysis of HpaI REase, an ORFan with no detectable homologs, for which we detected a structural template by protein fold recognition, constructed a model using the FRankenstein monster approach and identified a number of residues important for the DNA binding and catalysis. These predictions were confirmed by site‐directed mutagenesis and in vitro analysis of the mutant proteins. The experimentally validated model of HpaI will serve as a low‐resolution structural platform for evolutionary considerations in the subgroup of blunt‐cutting REases with different specificities. The research protocol developed in the course of this work represents a streamlined version of the previously used techniques and can be used in a high‐throughput fashion to build and validate models for other enzymes, especially ORFans that exhibit no sequence similarity to any other protein in the database. Proteins 2006. © 2006 Wiley‐Liss, Inc.
Incident investigation of an explosion at a styrene plant
Authors: Wiff Daniel
Published: February 2006

On June 11, 2003, an explosion occurred in the natural gas‐fired ethyl benzene reboiler at a styrene plant in Bayport, Texas. The incident occurred while the air damper and registers were being adjusted to stabilize the flame and the excess oxygen content of the stack discharge. Following the rupture of the heater housing, fire erupted in the radiant section and the inlet header. The fire burned for three‐and‐one‐half hours as ethyl benzene continued to feed the fire from return piping connected to the ethyl benzene column. The reboiler was completely destroyed. This article summarizes how it was determined what evidence to collect; how initial evidence was collected soon after the incident; how the physical evidence was preserved during the “make safe” and demolition stages; and how evidence was staged and protected after demolition. © 2006 American Institute of Chemical Engineers Process Saf Prog, 2006
Uptake, translocation and metabolism of the herbicide florasulam in wheat and broadleaf weeds
Authors: deBoer Gerrit J , Thornburgh Scott , Ehr Robert J
Published: February 2006

Florasulam is a triazolopyrimidine sulfonanilide post‐emergence broadleaf herbicide for use in wheat (Triticum aestivum L.). The selectivity of florasulam to wheat has been determined to be related primarily to a differential rate of metabolism between wheat with a half‐life of 2.4 h and broadleaf weeds with half‐lives ranging from 19 to >48 h. To a lesser extent, selectivity, at least for the broadleaf weed cleavers (Galium aparine L.), involves uptake differences. Rate of metabolism data were generated using greenhouse‐grown plants injected with radiolabelled florasulam and subsequent extraction and processing by high‐performance liquid chromatography (HPLC). Structures of metabolites were determined by isolation for nuclear magnetic resonance and liquid chromatography/mass spectrometry. Wheat plants metabolised florasulam by hydroxylation of the aniline ring para to the nitrogen, followed by conjugation to glucose. Metabolism by broadleaf weeds was so slow that isolation of metabolite was not possible, but comparison of HPLC data suggested hydroxylation as the major pathway. Copyright © 2006 Society of Chemical Industry
The use of pencil lead as a matrix and calibrant for matrix‐assisted laser desorption/ionisation
Authors: Black Claudie , Poile Chris , Langley John , Herniman Julie
Published: February 2006

Pencil lead is shown to be an effective matrix and calibrant in matrix‐assisted laser desorption/ionisation (MALDI) mass spectrometry. Various groups of analytes, including peptides, polymers and actinide metals, can be readily ionised using MALDI when deposited onto a pencil lead matrix. The matrix is seen to have advantages in sample preparation relating to its hydrophobic properties and almost complete suppression of the matrix during analysis. Using pencil lead as a matrix is a quick and convenient method of qualitative analysis and has been shown to be quantitative for the isotope ratio analysis of actinide metals. © Crown copyright 2006. Reproduced with the permission of Her Majesty's Stationery Office. Published by John Wiley & Sons, Ltd.
Electrospray ionization mass spectrometric studies of some imidazole amidoximes and nitrolic acids and their esters
Authors: Oresmaa Larisa , Aulaskari Paula , Vainiotalo Pirjo
Published: February 2006

The fragmentations of the [M+H]+ ions of imidazole amidoximes, and nitrolic acids and their esters, were studied by collision‐induced dissociation experiments and by determining the accurate masses of the product ions on an electrospray ionization Fourier transform ion cyclotron resonance mass spectrometer. The fragmentation pathways of the amidoximes varied with the substituent in the imidazole ring at position 1N, allowing two regioisomers to be distinguished. Nitrolic acids decompose in solution to nitrile oxides, and the studied nitrolic acid behaved in the same way in the gas phase. The esters decompose similarly to their parent compounds. Copyright © 2006 John Wiley & Sons, Ltd.
An electrospray ionization Fourier transform ion cyclotron resonance mass spectrometric study of the gas‐phase stabilities and fragmentation of N‐alkylammonium resorcarenes
Authors: Mäkinen M. , Holopainen S. , Rissanen K. , Vainiotalo P.
Published: February 2006

Five N‐alkylated ammonium resorcarene derivatives, differing either in the nitrogen atom or in the lower rim alkyl chain, were studied using electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry. The main purpose was to clarify the fragmentation and the relative stabilities of the protonated molecules by collision‐induced dissociation (CID) experiments. The results indicate that fragmentation of the upper rim alkyl amino substituents at the 2‐position occurs readily. Variation in the gas‐phase stabilities of these molecules was also observed. In addition, the proposed fragmentation pathways are depicted. Copyright © 2006 John Wiley & Sons, Ltd.
An innovative application of Bayesian disease mapping methods to patient safety research: a Canadian adverse medical event study
Authors: MacNab Ying C. , Kmetic Andrew , Gustafson Paul , Sheps Sam
Published: February 2006

Recently developed disease mapping and ecological regression methods have become important techniques in studies of disease epidemiology and in health services research. This increase in importance is partially a result of the development of Bayesian statistical methodologies that make it possible to study associations between health problems and risk factors at an aggregate (i.e. areal) level while taking into account such matters as unmeasured confounding and spatial relationships. In this paper we present a demonstration of the joint use of empirical Bayes (EB) and full Bayesian inferential techniques in a small area study of adverse medical events (also known as ‘iatrogenic injury’) in British Columbia, Canada. In particular, we illustrate a unified Bayesian hierarchical spatial modelling framework that enables simultaneous examinations of potential associations between adverse medical event occurrence and regional characteristics, age effects, residual variation and spatial autocorrelation. We propose an analytic strategy for complementary use of EB and FB inferential techniques for risk assessment and model selection, presenting an EB–FB combined approach that draws on the strengths of each method while minimizing inherent weaknesses. The work was motivated by the need to explore relatively efficient ways to analyse regional variations of health services outcomes and resource utilization when a considerable amount of statistical modelling and inference are required. Copyright © 2006 John Wiley & Sons, Ltd.
Aesthetics in OR/systems practice: towards a concept of critical imagination as a challenge to systems thinking
Authors: White Leroy
Published: February 2006

The need to take into account aesthetic values in systems/OR practice is more relevant today where there is an increase in the complexity of the situation where choices need to be made and/or issues surrounding a decision(s) need to be deliberated and considered in the context of multiple perspectives. This paper will introduce the concept of aesthetic in relation to the processes of systems and OR. It will draw on a few case studies and will pay particular attention to the space, values and artefacts uncovered in interventions. The paper will also include an introduction to a mode of understanding of systems and OR practice called critical imagination. Copyright © 2006 John Wiley & Sons, Ltd.
Autopoietic Viable System Model
Authors: Tsuchiya Yukihisa
Published: February 2006

This article considers the Viable System Model (VSM) from the viewpoint of autopoiesis. Looking at the lowest recursion level, a VSM prototype can be found; namely, people's interactivities are the source of viability and produce the system. I call the provisional family unit the social autopoietic unit. People's autopoietic activities are essential for organizing; for that, I view VSM as the organization of necessary functions, and as a result, a foundation for autopoietic VSM is obtained. Copyright © 2006 John Wiley & Sons, Ltd.
Team syntegrity as a learning tool: some considerations about its capacity to promote critical learning
Authors: Mejía D Andrés , Espinosa Angela
Published: February 2006

Team Syntegrity is a systemic protocol designed by Stafford Beer for organising non‐hierarchical and democratic conversations among a set number of participants. Contrary to those of other systemic protocols or methodologies, the rules or restrictions it provides are about the conversational structure, but make no reference to conversational contents. As a study of Paulo Freire's idea of critical consciousness reveals, while structure‐based restrictions can help to properly deal with the views already brought into the conversation by its participants, they cannot guarantee that all the relevant aspects or views will actually be brought in and considered. The specification of some aspects of Team Syntegrity, however, such as the participant selection, and the roles of advocates, critics and facilitators, may still have some effect on the contents that are likely to be taken into account in the conversation. Therefore, they constitute possible sources for this protocol's future improvement. Copyright © 2006 John Wiley & Sons, Ltd.
Systems sensitive dialogue intervention
Authors: Slotte Sebastian
Published: February 2006

The paper presents a general methodology for dialogue interventions. Systems Sensitive Dialogue Interventions are viewed in the light of Gerald Midgley's general presentation of systemic intervention. By focusing on the dialogue philosophy of Martin Buber and the key elements in two popular dialogue methods it is proposed that (a) enhancing individual participants' sensitivity to the unique human system they form is the primary task of a dialogue intervention, (b) when designing dialogical interventions it is useful to use creatively elements from different available dialogical methods and (c) dialogue interventions should be designed in experiential and existential rather than in metaphysical terms. Copyright © 2006 John Wiley & Sons, Ltd.
Synthesis, Structure and Magnetic Properties of a Novel N‐Benzenesulfonyl‐L‐glutamic Acid‐bridged Manganese(II) Polymer with Double‐Chain Structure
Authors: Ma Lu‐Fang , Wang Yu‐Fang , Wang Li‐Ya , Wang Jian‐Ge , Feng Xun
Published: February 2006

First N‐benzenesulfonyl‐L‐glutamic acid‐bridged manganese(II) coordination polymer [Mn(bipy)(bs‐glu)]n (bs‐glu = N‐benzenesulfonyl‐L‐glutamic acid dianion, bipy = 2, 2′‐bipyridine) has been synthesized and characterized structurally and magnetically. It crystallizes in the orthorhombic space group P212121. The γ‐carboxyl group coordinates to the MnII atom in a chelating mode, while the α‐carboxyl group coordinates in a bidentate‐bridging mode. The complex displays a one‐dimensional double‐chain polymer. Magnetic measurements show that there are weak antiferromagnetic interactions between the adjacent MnII ions in the compound.
Syntheses and Crystal Structures of Two Novel Linear Trinuclear Schiff Base Nickel(II) and Cadmium(II) Complexes
Authors: You Zhong‐Lu
Published: February 2006

Two novel linear trinuclear Schiff base complexes, [Ni{Ni(C17H14Br2N2O2)(NO3)(H2O)}2] · 2MeOH · 2H2O (1), and [Cd{Ni(C25H20N2O2)(CH3COO)}2] (2), were synthesized and characterized by elemental analyses, infrared spectroscopy, and X‐ray single crystal determinations. There are three bridges across the Ni‐M atom pairs (M is Ni for 1, and Cd for 2) in each complex, involving two phenolate O atoms of a Schiff base ligand (N,N′‐bis(5‐bromosalicylidene)‐1,3‐propanediaminate (BSPD) for 1 and N,N′‐bis(2‐hydroxynaphthylmethenylimino)‐1,3‐propanediaminate (HNPD) for 2), and an O‐N‐O moiety of a μ‐nitrato group for 1 or an O‐C‐O moiety of a μ‐acetato group for 2. In each of the complexes, the central M2+ is located on an inversion center and has an octahedral coordination involving four bridging O atoms from two Schiff base ligands in the equatorial plane and one O atom from each bridging nitrate or acetate group in the axial positions. The coordination around the terminal Ni2+ ions is also octahedral for 1, but square pyramidal for 2. The nitrate or acetate bridges linking the central and terminal metal ions are mutually trans. The Ni···M distances are 3.006(2) Å in 1, and 3.175(2) Å in 2.
Inverse Perovskites (Eu3O)E with E = Sn, In – Preparation, Crystal Structures and Physical Properties
Authors: Kirchner M. , Schnelle W. , Niewa R.
Published: February 2006

The cubic inverse Perovskites (Eu3O)In and (Eu3O)Sn were prepared from the metals and Eu2O3 or SnO2, respectively. For (Eu3O)In the crystal structure analysis was performed on single crystal X‐ray diffraction data (space group $Pm{\bar 3}m$, a = 512.79(3) pm, Z = 1, Rgt(F) = 0.022, wR(F2) = 0.044). The data indicated full occupancy on all sites and a fully ordered structure. According to magnetic susceptibility measurements and X‐ray absorption spectroscopic data at the Eu LIII edge both compounds contain europium in the 4f7 (Eu2+) electronic state. (Eu3O)In orders ferromagnetically at 185(5) K, (Eu3O)Sn shows antiferromagnetic order at 31.4(2) K. Both compounds behave as metallic conductors in electrical resistivity measurements. However, (Eu3O)In may be classified a metal, while (Eu3O)Sn is more likely a heavily doped degenerated semiconductor or semimetal according to the absolute values of the resistivity.
Solvent‐controlled Syntheses and Crystal Structures of a Pair of Novel Thiocyanate‐bridged Copper(II) Complexes Constructed from 4‐Bromo‐2‐(cyclopropyliminomethyl)phenolate
Authors: You Zhong‐Lu
Published: February 2006

A pair of novel thiocyanate‐bridged polynuclear copper(II) complexes, [Cu2(BCP)2(NCS)2]n (1) and [Cu2(BCP)2(MeOH)(NCS)2]2 (2) [BCP = 4‐bromo‐2‐(cyclopropyliminomethyl)phenolate], have been obtained from an identical synthetic procedure and starting materials using solvents as the only independent variable. Complex 1 was synthesized and crystallized using EtOH as the solvent, while complex 2 was synthesized and crystallized using MeOH as the solvent. Both complexes show novel self‐assembled supramolecular structures in their crystals as elucidated by X‐ray analyses. The polymeric dinuclear complex 1 contains [Cu2(BCP)2(NCS)2] units as the building blocks, crystallizes in the Pbca space group. The monomeric tetranuclear complex 2 contains [Cu2(BCP)2(MeOH)(NCS)2] units as the building blocks, crystallizes in the P21/n space group.
Crystal Structure of Ba3ZrRu2O9 – a New 6H‐(cch)2 Perovskite
Authors: Schüpp‐Niewa Barbara , Shlyk Larysa , Prots Yurii , Niewa Rainer , Krabbes Gernot
Published: February 2006

Single crystals of the new 6H‐perovskite Ba3ZrRu2O9 have been grown from BaCO3 and RuO2 in presence of BaCl2 on ZrO2 bars. Ba3ZrRu2O9 crystallizes in the space group P63/mmc (No. 194) with a = 5.7827(2) Å and c = 14.2509(5) Å (Z = 2, R1 = 0.037, wR2 = 0.078). The structure consists of pairs of face‐shared RuO6 octahedra forming [Ru2O9] units, which are interconnected by corner‐sharing ZrO6 octahedra. The structural relationships of the title compound and of the already known barium‐zirconium‐ruthenate Ba4ZrRu3O12, 4H‐ and 9R‐BaRuO3 and BaZrO3 are discussed.
Syntheses and Crystal Structures of Copper(II) and Copper(I) dpp Complexes, [Cu(dpp)Br2] and [Cu(dpp)2][CuBr2] (dpp = 2,9‐diphenyl‐1,10‐phenanthroline)
Authors: Wu Biao , Yang Peiju , Huang Xiaojuan , Liu Yanyan , Liu Xiaofei , Xia Chungu
Published: February 2006

The complexes [Cu(dpp)Br2] (1) and [Cu(dpp)2][CuBr2] (2) (dpp = 2,9‐diphenyl‐1,10‐phenanthroline) were synthesized and characterized by single‐crystal X‐ray diffraction methods. Reaction of copper(II) bromide with the dpp ligand in dichloromethane at room temperature afforded 1, which is a rare example of non‐square planar four‐coordinate copper(II) complexes. Complex 1 crystallizes in the monoclinic space group C2/c with a = 15.352(3), b = 13.192(3), c = 11.358(2) Å, β = 120.61(3)°, V = 1979.6(7) Å3, Z = 4, Dcalc = 1.865 g cm−3. The coordination geometry about the copper center is distorted about halfway between square planar and tetrahedral. The Cu‐N distance is 2.032(2) Å and the Cu‐Br distance 2.3521(5) Å. Heating a CH2Cl2 or acetone solution of 1 resulted in complex 2, which consists of a slightly distorted tetrahedral [Cu(dpp)2]+ cation and a linear two‐coordinate [CuBr2]− anion. 2 crystallizes in the triclinic space group ${\rm P}{\bar 1}$ with a = 10.445(2), b = 11.009(2), c = 18.458(4) Å, α = 104.72(3), β = 94.71(3), γ = 103.50(3)°, V = 1973.3(7) Å3, Z = 2, Dcalc = 1.602 g cm−3. The four Cu(1)‐N distances are between 2.042(3) and 2.067(3) Å, the distance of Cu(2)‐Br(1) 2.2268(8) Å, and the disordered Cu(3)‐Br(2) distances are 2.139(7) and 2.237(4) Å, respectively. Complex 2 could also be prepared by directly reacting CuBr with dpp in CH2Cl2.
Synthesis, Crystal Structure Determination, and Physical Properties of Ag5IO6
Authors: Kovalevskiy Anton , Jansen Martin
Published: February 2006

The silver iodate(VII), Ag5IO6, was obtained by reacting a stoichiometric mixture of Ag2O and KIO3, at elevated oxygen pressure, adding a small portion of distilled water. The synthesis was done at 673 K and 270 MPa of oxygen pressure. The crystal structure was solved by direct methods based on single crystal diffraction data ($R{\bar 3}{\rm c}$, Z = 6, a = 5.9366(1), c = 32.1471(6) Å, 323 independent reflections, R1 = 2.31 %). According to conductivity measurements, Ag5IO6 is semiconducting with a specific resistance of 0.08 Ωcm at 300 K. The activation energy was determined as 7.4(1) meV in the temperature range of 220 – 300 K, and 4.3(1) meV in the temperature range of 90 – 180 K. The optical band gap for Ag5IO6 is 1.4 eV. Ag5IO6 is diamagnetic with a magnetic susceptibility of −4.4×10−4 emu/mol.
Ce2[SeO3]3 and Pr2[SeO3]3: Non‐Isostructural Oxoselenates(IV) of the Light Lanthanoids
Authors: Wontcheu Joseph , Schleid Thomas
Published: February 2006

The crystal structures of Ce2[SeO3]3 and Pr2[SeO3]3 have been refined from X‐ray single‐crystal diffraction data. The compounds were obtained using stoichiometric mixtures of CeO2, SeO2, Ce, and CeCl3 (molar ratio 3:3:1:1) or Pr6O11, SeO2, Pr, and PrCl3 (molar ratio 3:27:1:2) heated in evacuated sealed silica tubes at 830 °C for one week. Ce2[SeO3]3 crystallizes orthorhombically (space group: Pnma), with four formula units per unit cell of the dimensions a = 839.23(5) pm, b = 1421.12(9) pm, and c = 704.58(4) pm. Its structure contains only a single crystallographically unique Ce3+ cation in tenfold coordination with oxygen atoms arranged as single‐face bicapped square antiprism and two different trigonal pyramidal [SeO3]2− groups. The connectivity among the [CeO10] polyhedra results in infinite sheets of face‐ and edge‐sharing units propagating normal to [001]. Pr2[SeO3]3 is monoclinic (space group: P21/n) with twelve formula units per unit cell of the dimensions a = 1683.76(9) pm, b = 705.38(4) pm, c = 2167.19(12) pm, and β = 102.063(7)°. Its structure exhibits six crystallographically distinct Pr3+ cations in nine‐ and tenfold coordination with oxygen atoms forming distorted capped square antiprisms or prisms (CN = 9), bicapped square antiprisms and tetracapped trigonal prisms (CN = 10), respectively. The [PrO9] and [PrO10] polyhedra form double layers parallel to (111) by edge‐ or face‐sharing, which are linked by nine different [SeO3]2− groups to build up a three‐dimensional framework. In both compounds, the discrete [SeO3]2− anions (d(Se4+–O2−) = 166–174 pm) show the typical Ψ1‐tetrahedral shape owing to the non‐bonding “lone‐pair” electrons at the central selenium(IV) particles. Moreover, their stereochemical “lone‐pair” activity seems to flock together in large empty channels running along [010] in the orthorhombic Ce2[SeO3]3 and along [101] in the monoclinic Pr2[SeO3]3 structure, respectively.
Fisheries bioeconomics: why is it so widely misunderstood?
Authors: Clark Colin W.
Published: February 2006

Many fisheries management systems, even when based on apparently sound science, have failed to prevent severe overfishing. And even when successful in this sense, such systems have frequently resulted in a large degree of excess fishing capacity. The reason for these failures can often be found in a lack of consideration of the economic incentives affecting fishermen. Specifically, when forced to compete for a fixed total annual catch quota (TAC), fishermen are motivated to fish at high intensity, and to expand the fishing power of their vessels. Individual fishing quotas (IFQs) are being increasingly used as a method of altering economic incentives in a desirable way. IFQ systems, however, can also suffer severe shortcomings, unless substantial fees are extracted for the exclusive right to exploit a publicly owned resource. When combined with appropriate fees, or royalties, IFQs can indeed result in sustainable, profitable fisheries. There still remains the fundamental question of risk management, but this is also now beginning to be addressed. Thus there is now a strong hope for the future success of marine fisheries, at least within 200‐mile coastal zones.
Science and the politics of colonial collecting: the case of Indian meteorites, 1856–70
Authors: NAIR SAVITHRI PREETHA
Published: February 2006

The case of Indian meteorite collections shows how, during the production of science, knowledge-making institutions such as museums were sometimes strongly linked with coercive institutions such as the police. If geological collecting in India in the Company period was mainly geared towards satisfying the demands of metropolitan science, the period after the 1850s saw a dramatic shift in the nature of collecting and the practice of colonial science, with the emergence of public museums in India. These colonial museums, represented by the Indian Museum, Calcutta, began to compete with the British Museum for the possession of locally formed collections in an effort to form an exemplary ‘Indian’ scientific collection. This resulted in conflicts which changed the very nature of colonial science. This paper shows how the 1860s marked a break with the past. A new breed of colonial scientist arrived, prepared successfully to challenge the status of the British Museum as the ‘centre of all sciences’ and to defend scientific institutions in the land of their practice, the colony. Rather than being driven by a feeling of scientific dependence or independence, or even the patriotic aspiration to build a national collection in London, it was scientific internationalism backed by the strength of local knowledge that now determined their practice.
Time Reconsidered
Authors: Corish Denis
Published: February 2006

Following observations of Aristotle, Kant, Newton, Leibniz and Einstein (on space), we can devise a means of showing how the ontology of time supports the precedes-succeeds logic, which the temporal series shares with those of space and number, and how the past-present-future account is consistent with that. Time, by a relativist, not absolutist, account, turns out to be the existence and nonexistence of exactly the same thing in exactly the same respect. Both A and not-A can be the case, but not at the same time. On the relativist view their both being the case constitutes time. This turns out to be, in the most general sense, a causal theory of time.
An economic and social evaluation of the Senior Help Line in Ireland
Authors: O'SHEA EAMON
Published: February 2006

The Senior Help Line in Ireland provides a confidential telephone listening service for socially-excluded older people and is operated by older volunteers. The service has grown rapidly in recent years and is highly regarded as an important service for older people in the country. This paper provides a systematic examination and assessment of the service, from the perspectives of costs, outcomes and best practice. The study uses personal interviews, focus groups and postal questionnaires to elicit information about the service and its impact on volunteers and callers. The Senior Help Line has made a significant contribution to the health and wellbeing of older people in Ireland at relatively low cost. The service demonstrates the positive effects of volunteering for older people, and the value and effectiveness of peer-to-peer communication for vulnerable callers. The help-line is a model project in terms of accountability and best practice, but requires additional resources, particularly for publicity and training. It needs to become a branded national service for vulnerable older people to meet the level of need for a service of this kind. The help-line also needs to be linked more formally to existing health and social care provision for older people, to become part of a holistic model of healthy ageing for older people. For the service to reach its manifest potential, the efforts of the volunteers need to be supported by higher and sustained levels of public spending, through more widespread and substantial public-voluntary partnership arrangements.