bluuebunny/crossref_metadata_2025_split huggingface dataset:
Acute otitis media in children - there are guidelines but are they followed?
Authors: Woolley S L , Smith D R K 
Published: July 2005

Aims: To determine whether guidelines relating to the diagnosis and treatment of acute otitis media (AOM) in children are followed in a tertiary paediatric emergency department (ED).Methods: A literature search was undertaken to identify national and international guidelines relating to the diagnosis and management of AOM in children. The guidelines were assessed for their applicability to UK practice. A retrospective case note audit was undertaken. Children presenting to the ED with a discharge diagnosis of AOM over a two month period were identified from the ED computer discharge system. The notes were analysed for compliance with the identified guidelines.Results: 50 children were identified (age range three months to 11 years). Eighty-six per cent of children received antibiotics. Fifty-two per cent of children had documented signs of AOM. Twenty-five of these children received antibiotics (22 in accordance with guidelines, three not in accordance with guidelines, antibiotic not documented in one case). Thirty-nine per cent of children received antibiotics inappropriately. In all cases, the antibiotic dosage was below the dose recommended in all guidelines.Conclusion: There is poor compliance with national (and international) guidelines for the management of AOM in this ED. National guidelines must be introduced into the department by direct teaching at senior house officer and middle grade level, a re-audit must be carried out and regular reviews of the notes of patients diagnosed with AOM must be undertaken to ensure compliance with guidelines is maintained.
With a Little Help from My Friends (and Substitutes): Social Referents and Influence in Psychological Contract Fulfillment
Authors: Ho Violet T. , Levesque Laurie L. 
Published: July 2005

This study investigated employees’ choice of social referents and the impact of social influence on their beliefs of psychological contract fulfillment. Using data from a field study conducted with 99 employees in a research organization, we found that one’s referent choice varied with the domain of promise evaluated. When evaluating the organization’s fulfillment of organization-wide promises, employees’ referents were primarily coworkers with whom they had close direct ties, namely, friends and advice givers. On the other hand, when evaluating the fulfillment of job-related promises, employees’ referents were mainly fellow workers who could substitute for them and people with whom they had multiple relationships. The effects of social influence also varied with the domain of promise evaluated. For organization-wide promises, employees’ fulfillment evaluations were similar to those of their friends. However, for job-related promises, their fulfillment evaluations were dissimilar to those of coworkers who played the dual roles of friends and substitutes. This study advances psychological contracts research by demonstrating that third parties to the psychological contract can influence fulfillment evaluations. In turn, the effect of such influence is contingent on the domain of promises being evaluated and the nature of the networks. We discuss implications for research in psychological contracts, social networks and influence, and referent choice.
Cover Picture: Nanotechnological Aspects in Materials for Hydrogen Storage (Adv. Eng. Mater. 6/2005)
Authors: Fichtner M. 
Published: July 2005

AbstractThe cover shows the schematic structure of an aluminum and magnesium containing hydrogen storage material. More about nanotechnological aspects in materials for hydrogen storage can be found in the article by M. Fichtner on page 443.A nanotechnological app#roach aims at making tailor‐made developments for storage materials by combining different scientific disciplines and focussing on processes on the microscale. The approach has already been successful in achieving major advances in the field of novel solid materials for hydrogen storage. However, further breakthroughs are necessary to reach the goal of storage systems for fuel cell‐driven, mobile applications.
Wasserstoffbrückenmotive in der Fullerenchemie
Authors: Sánchez Luis , Martín Nazario , Guldi Dirk M. 
Published: July 2005

AbstractDie Kombination von Fullerenen und Wasserstoffbrücken schafft ein neues interdisziplinäres Feld, bei dem schwache intermolekulare Kräfte die Eigenschaften von ein‐, zwei‐ und dreidimensionalen Fullerenarchitekturen modulieren. Dieser Kurzaufsatz stellt supramolekulare Strukturen vor, die auf diese Weise zugänglich sind. Es wird gezeigt, dass die elektronische Kommunikation von Donor‐Acceptor‐Einheiten in wasserstoffverbrückten Verbindungen auf der Basis von C60 wenigstens so ausgeprägt ist wie in kovalent verknüpften Systemen und dass der Einsatz von Wasserstoffbrücken in der Fullerenchemie ein vielseitiges Konzept zur Konstruktion funktionaler Ensembles darstellt.
Quantification of mortality risk after abdominal aortic aneurysm repair
Authors: Hadjianastassiou V G , Tekkis P P , Goldhill D R , Hands L J 
Published: July 2005

AbstractBackgroundThe study was designed to evaluate the Acute Physiology And Chronic Health Evaluation (APACHE) II risk scoring system in abdominal aortic aneurysm (AAA) surgery. The aim was to create an APACHE-based risk stratification model for postoperative death.MethodsProspective postoperative APACHE II data were collected from patients undergoing AAA repair over a 9-year interval from 24 intensive care units (ICUs) in the Thames region. A multilevel logistic regression model (APACHE-AAA) for in-hospital mortality was developed to adjust for both case mix and the variation in outcome between ICUs.ResultsA total of 1896 patients were studied. The in-hospital mortality rate among the 1289 patients who had elective AAA repair was 9·6 (95 per cent confidence interval (c.i.) 8·0 to 11·2) per cent and that among the 605 patients who had an emergency repair was 46·9 (95 per cent c.i. 43·0 to 50·9) per cent. Four independent predictors of death were identified: age (odds ratio (OR) 1·05 (95 per cent c.i. 1·03 to 1·07) per year increase), Acute Physiology Score (OR 1·14 (95 per cent c.i. 1·12 to 1·17) per unit increase), emergency operation (OR 4·86 (95 per cent c.i. 3·64 to 6·52)) and chronic health dysfunction (OR 1·43 (95 per cent c.i. 1·04 to 1·97)). The APACHE-AAA model was internally valid, as shown by calibration (Hosmer–Lemeshow C statistic: χ2 = 6·14, 8 d.f., P = 0·632), discrimination properties (area under receiver–operator characteristic curve 0·845) and subgroup analysis. There was no significant variation in outcome between hospitals.ConclusionAPACHE-AAA was shown to be an accurate risk-stratification model that could be used to quantify the risk of death after AAA surgery. It might also be used to determine the relative impact of ICU over high-dependency unit care.
Multivariate statistical process control using mixture modelling
Authors: Thissen U. , Swierenga H. , de Weijer A. P. , Wehrens R. , Melssen W. J. , Buydens L. M. C. 
Published: July 2005

AbstractWhen performing process monitoring, the classical approach of multivariate statistical process control (MSPC) explicitly assumes the normal operating conditions (NOC) to be distributed normally. If this assumption is not met, usually severe out‐of‐control situations are missed or in‐control situations can falsely be seen as out‐of‐control. Combining mixture modelling with MSPC (MM‐MSPC) leads to an approach in which non‐normally distributed NOC regions can be described accurately. Using the expectation maximization (EM) algorithm, a mixture of Gaussian functions can be defined that, together, describe the data well. Using the Bayesian information criterion (BIC), the optimal set of Gaussians and their specific parametrization can be determined easily. Artificial and industrial data sets have been used to test the performance of the combined MM‐MSPC approach. From these applications it has been shown that MM‐MSPC is very promising: (1) a better description of the process data is given compared with standard MSPC and (2) the clusters found can be used for a more detailed process analysis and interpretation. Copyright © 2005 John Wiley & Sons, Ltd.
Erratum to Seipel HA, Kalivas JH. Effective rank for multivariate calibration methods. J. Chemometrics 2004; 18: 306–311
Authors: Kalivas John H. , Seipel Heather A. 
Published: July 2005

AbstractThe original article to which this Erratum refers was published in J. Chemometrics 2004; 18: 306–311.
NH···π Interactions Stabilize the Most‐Hindered Rotamer of the(S)‐Tyrosinato Side Group in Bis[(S)‐tyrosinato](diamine)cobalt(III) Complexes: An NMR Spectroscopic and DFT Study
Authors: Miodragović Djenana U. , Vitnik Željko J. , Milosavljević Slobodan M. , Malinar Mijat J. , Juranić Ivan O. 
Published: July 2005

AbstractConformational analysis based on an analysis of the vicinal α‐ and β‐proton coupling constants of (S)‐tyrosinato ligandsin diastereomers of a bis[(S)‐tyrosinato](1,3‐diaminopropane)cobalt(III) complex is used to calculate the mol fractions of the three most stable rotamers (t, g, h) of the (S)‐tyrosinato ligand’s side groups in D2O solution. The results of this conformational analysis indicate a population increase in the sterically least favorable rotamer h in diastereomers of C1‐molecular symmetry (complexes 5 and 6). The TOCSY spectrum of complex 6 in aqueous solution shows an exceptionally small chemical shift of one NH2 proton from the coordinated diamine, which is explained by an interligand NH···π interaction. These findings demonstrate the persistence of this weak, noncovalent interaction in water solution. DFT calculations for complex 6, whose diamine ring is in a chair conformation, indicate that the complex with an h conformation in both its (S)‐tyrosinato ligand side‐residues, which yields the most frequent NH···π interactions, represents an energy minimum. The fact that coordinated 1,3‐diaminopropane in the examined complex 6 is in a chair conformation in aqueous solution is proved by the NMR analysis. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Synthesis, Properties and Molecular Structure of [Ru(tpm)(bpy)(CH3CN)](PF6)2 (tpm = tris(1‐pyrazolyl)methane, bpy = 2,2'‐bipyridine) — Another Example of Nitrile Hydrolysis Promoted by Ruthenium(II)
Authors: Katz Néstor E. , Fagalde Florencia , Lis de Katz Noemí D. , Mellace María G. , Romero Isabel , Llobet Antoni , Benet‐Buchholz Jordi 
Published: July 2005

AbstractThe synthesis and isolation of [Ru(tpm)(bpy)(CH3CN)](PF6)2 (tpm = tris(1‐pyrazolyl)methane; bpy = 2,2'‐bipyridine) in good yield is described. This new RuII complex has been spectroscopically (IR, UV/Vis, emission) and electrochemically (cyclic voltammetry) characterized. Its solid‐state structure has been solved by means of X‐ray diffraction analysis and shows a distorted octahedral geometry where, as expected, the tpm ligand occupies three facial coordination sites, the bpy ligand chelates two further sites, and the CH3CN ligand saturates the coordination sphere of the Ru metal center. Electrochemical and spectroscopic results indicate that the CH3CN ligand acts as a moderately strong π‐acceptor. The capacity of the coordinated CH3CN ligand to undergo basic hydrolysis is also described. A second‐order rate constant kobs = 1.3 × 10–3 M–1 s–1 (T = 25 °C) has been obtained by following the UV/Vis absorption changes over time; the activation parameters obtained over the temperature range 17.0–40.0 °C are: ΔH‡ = 74 ± 4 kJ mol–1 and ΔS‡ =–54 ± 12 J mol–1 K–1. These results are compared and discussed with regard to related complexes described in the literature that are also capable of carrying out this reaction. The results presented here make it possible to characterize the electronic and steric factors further and understand how they influence the basic hydrolysis of the coordinated CH3CN ligand. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Design and Application of Self‐Assembled Low Molecular Weight Hydrogels
Authors: de Loos Maaike , Feringa Ben L. , van Esch Jan H. 
Published: July 2005

AbstractOver the past years, the gelation of aqueous solutions by low molecular weight (LMW) compounds has become an area of increasing interest, owing to developments in the field of LMW organogelators. Until recently, LMW hydrogelators were found only by serendipity, nowadays rational design as well as application of LMW hydrogelators has become feasible. As a consequence, an increasing number of responsive and functional LMW hydrogels are reported, offering great prospects for diverse applications including drug delivery and smart materials. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Flexible Stereo‐ and Regioselective Synthesis of myo‐Inositol Phosphates(Part 1): Via Symmetrical Conduritol B Derivatives
Authors: Podeschwa Michael A. L. , Plettenburg Oliver , Altenbach Hans‐Josef 
Published: July 2005

AbstractA practical route is described for the preparation of myo‐inositol polyphosphates. Optically pure myo‐inositol derivatives can be prepared from p‐benzoquinone in both forms by enzymatic resolution of a C2‐symmetric diacetoxyconduritol B key intermediate, followed by cis‐dihydroxylation. Selective functionalization of axial and equatorial hydroxy groups allows the synthesis of symmetric inositol phosphates as well as unsymmetrical, enantiomerically pure inositol phosphates. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Synthesis of β‐Benzo[b]thienyldehydrophenylalanine Derivatives by One‐Pot Palladium‐Catalyzed Borylation and Suzuki Coupling (BSC) and Metal‐Assisted Intramolecular Cyclization – Studies of Fluorescence and Antimicrobial Activity
Authors: Abreu Ana S. , Ferreira Paula M. T. , Queiroz Maria‐João R. P. , Ferreira Isabel C. F. R. , Calhelha Ricardo C. , Estevinho Letícia M. 
Published: July 2005

AbstractPalladium‐catalyzed borylation and Suzuki coupling (BSC) in a one‐pot procedure was successfully applied to the synthesis of several β‐substituted dehydrophenylalanines in the benzo[b]thiophene series, with the stereochemistry of the starting materials being maintained. Bromobenzo[b]thiophenes bearing an ortho EDG (OMe or Me) were used as the components to be borylated with pinacolborane, whilst pure stereoisomers of β‐bromodehydrophenylalanines were used as the other Suzuki coupling components. Treatment of the obtained methyl ester of (Z)‐N‐(tert‐butoxycarbonyl)‐β‐(2,3,5‐trimethylbenzo[b]thien‐6‐yl)dehydrophenylalaninewith Pd(OAc)2 and Cu(OAc)2 in DMF at 160 °C gave two indole derivatives (1:3), the major product resulting from isomerization and cyclization and the minor product resulting from direct cyclization (thienoindole). Carrying out the reaction at 100 °C gave the same products in similar amounts. Use of the methyl ester of (Z)‐N‐(tert‐butoxycarbonyl)‐β‐(2,3,7‐trimethylbenzo[b]thien‐6‐yl)dehydrophenylalanine as starting material gave only one product, resulting from isomerization and cyclization at 100 °C. Two of the cyclized compounds were subjected to fluorescence studies; the thienoindole could be useful as a fluorescent probe. Preliminary studies of antimicrobial activity were performed on the precursors and on the cyclized products.
Cover Picture: Structures, Spectral and Electrochemical Properties of N‐(Naphth‐2‐ylmethyl)‐Appended Porphyrinogens (Eur. J. Org. Chem. 14/2005)
Authors: Hill Jonathan P. , Schmitt Wolfgang , McCarty Amy Lea , Ariga Katsuhiko , D′Souza Francis 
Published: July 2005

AbstractThe cover picture shows the X‐ray crystal structures of the compounds obtained by the alkylation of a conjugated porphyrinogen precursor at its macrocyclic nitrogen atoms with 2‐(methylenenaphthyl) groups. The presence of the N‐alkyl groups introduces intermolecular π−π stacking interactions which culminate in a 1‐dimensional stacked array for the fully N‐substituted derivative. The N‐alkylation enhances the ability of the compounds to form anion radical and cation radical species and permits “tuning” of the electrochemical properties of the core porphyrinogen. Details are discussed in the article by J. P. Hill et al. on p. 2893 ff.
Fire calorimetry relying on the use of the fire propagation apparatus. Part II: burning characteristics of selected chemical substances under fuel rich conditions
Authors: Brohez S. , Marlair G. , Delvosalle C. 
Published: July 2005

AbstractThe paper focuses on the detailed characterization of ventilation controlled fires of industrial products that are likely to govern accidental fire scenarios in fire resistant enclosures. Results regarding under‐ventilated fires of substances that are not polymers are presented to illustrate the capability of the fire propagation apparatus (FPA) to qualify such types of fires. Based on results from heptane fire tests in both well‐ and under‐ventilated fire conditions, a set of recommendations was previously provided in order to check the validity of the experimental results. The application of these recommendations is illustrated for the selected liquid substances containing hetero‐atoms. It emerges that the fire propagation apparatus assesses quite easily the performance of well‐controlled fires in both well‐ and under‐ventilated conditions. Another major outcome of our work is that the potential of the FPA has the capability to address fire issues outside the conventional use of the equipment, in particular to qualify the burning behaviour of chemicals on the full spectrum of ventilation conditions. Copyright © 2005 John Wiley & Sons, Ltd.
Utility of 1,3,4,6‐tetra‐O‐acetyl‐2‐deoxy‐2‐[18F]fluoro‐glucopyranoside for no‐carrier‐added 18F‐glycosylation of amino acids
Authors: Maschauer Simone , Pischetsrieder Monika , Kuwert Torsten , Prante Olaf 
Published: July 2005

AbstractA radiochemical method for the 18F‐glycosylation of amino acid side chains was developed starting from peracetylated 2‐deoxy‐2‐[18F]fluoroglucopyranoside (TA‐[18F]FDG). O‐(2‐deoxy‐2‐[18F]fluoro‐D‐glucopyranosyl)‐L‐serine and the corresponding threonyl compound were obtained in a radiochemical yield of 25% and 12% (related to [18F]fluoride), respectively, after Zemplén deprotection within a total reaction time of 90 min. The anomeric configuration of the corresponding 19F‐substituted compounds revealed preferential α‐stereoselectivity. The 18F‐glycosylation method using TA‐[18F]FDG is compatible with the short half‐life of fluorine‐18 and combines glycosylation and 18F‐labelling of a target compound within a single reaction step. TA‐[18F]FDG is a promising 18F‐labelled prosthetic group and could be adapted to 18F‐labelling of bioactive peptides to study their pharmacokinetics using positron emission tomography (PET). Copyright © 2005 John Wiley & Sons, Ltd.
Tip‐enhanced Raman spectroscopy (TERS) of malachite green isothiocyanate at Au(111): bleaching behavior under the influence of high electromagnetic fields
Authors: Pettinger Bruno , Ren Bin , Picardi Gennaro , Schuster Rolf , Ertl Gerhard 
Published: July 2005

AbstractTip‐enhanced Raman spectroscopy (TERS) was investigated with malachite green isothiocyanate adsorbed at an Au(111) surface. TERS is based on the excitation of localized surface plasmons in the tip apex, producing strongly enhanced electromagnetic fields. The key conditions for giant TERS are side‐illumination of the tip, well‐prepared single‐crystalline surfaces and sharp, smooth gold tips. A TERS enhancement of about 6 × 106 has been observed for dye molecules adsorbed at the Au(111) substrate in a region of about 50 nm diameter beneath the tip. This corresponds to a 2500‐fold increase in the light intensity at the Au(111)/air interface, which in addition causes fast but local bleaching of the dye. This bleaching behavior was analyzed in detail, giving direct insight into the strength and size of the enhanced field. In addition, the bleaching constant was higher for MGITC in an unperturbed environment than for MGITC in an environment that had been substantially bleached. The MGITC spectra were also different for these two cases. Copyright © 2005 John Wiley & Sons, Ltd.
Monolayers of sulfur‐containing molecules at metal surfaces as studied using SERS: 3, 3′‐thiodipropionic acid and 3‐mercaptopropionic acid adsorbed on silver and copper
Authors: Kudelski Andrzej , Michota Agnieszka , Bukowska Jolanta 
Published: July 2005

AbstractThe modification of metal surfaces with self‐assembled thiol monolayers is the subject of intensive studies owing to both its fundamental interest in surface chemistry and its potential technological significance. In this work, the applicability of surface‐enhanced Raman scattering (SERS) to determine the conformation and pKa values of ω‐terminated thiol molecules was investigated. 3, 3′‐Thiodipropionic acid (TDPA) and 3‐mercaptopropionic acid (MPA) monolayers were spontaneously formed on silver and copper surfaces by adsorption from TDPA and MPA solutions, respectively. The structure of the monolayers formed was determined from SERS measurements. The SERS investigations showed that molecules forming TDPA monolayers prefer to adopt a gauche conformation of the—S—C—C chains, whereas in MPA monolayers formed from 1 mM MPA aqueous solution a significant part of the adsorbed molecules adopts a trans conformation. Formation on the metal surface of an MPA monolayer with high surface coverage of MPA makes dissociation of the carboxylic groups of MPA significantly more difficult. Analogous changes in the strength of similar adsorbed compounds have been reported by other groups. In contrast to those results, we found that the formation of monolayers from TDPA increases its acidic strength even at high surface coverage when monolayers are formed from relatively concentrated TDPA solutions. Probably the interaction of carboxylic groups with the metal surface is easier for TDPA than for MPA for geometric reasons. We consider that ionization of carboxylic groups increases the strength of this interaction. Copyright © 2005 John Wiley & Sons, Ltd.
Entropic depletion effect on supermolecular assembly: control of geometry of adsorbed molecules in coatings
Authors: Li Liang , Zhou Dongshan , Xue Gi 
Published: July 2005

AbstractWe describe an experimental investigation of the control of optimal geometric arrangements for adsorbed thin films by entropic depletion interactions between an adsorbent and the metal wall. Adsorbed ultra‐thin layers on metals were investigated by surface‐enhanced Raman scattering (SERS) spectroscopy. Bipyridine and two engineering polymers were found to form ordered structures which covered metal surfaces on adding low molecular weight poly(ethylene glycol) to their solutions in ethanol. Copyright © 2005 John Wiley & Sons, Ltd.
Elastic scattering and emission correlated with single‐molecule SERS
Authors: Maruyama Yoshihiro , Futamata Masayuki 
Published: July 2005

AbstractWith respect to the origin of single‐molecule sensitivity in surface‐enhanced Raman scattering (SERS), elastic scattering and emission spectra were studied for Ag particles adsorbed with dye or adenine molecules. The scattering peak observed at 600–650 nm was extinguished during the inactivation process of the enormous SERS signal, whereas localized surface plasmon (LSP) peaks located at 520 and 730 nm did not change significantly. It was found using a numerical simulation that the additional scattering peak arises from increased electromagnetic coupling between the LSP of adjacent Ag particles through dye molecules located at their junction. In addition, two distinct emission peaks were observed at 550–600 and 600–750 nm only for hot Ag particles with adsorbates. Based on the observations for different surface coverages and on different dye species, these bands were attributed to enhanced radiative decay of LSP and fluorescence of molecules, respectively. Interestingly, adenine molecules on the Ag nanoparticles show similar fluorescence peaks at 600–650 nm, suggesting a charge‐transfer state upon adsorption. Copyright © 2005 John Wiley & Sons, Ltd.