bluuebunny/crossref_metadata_2025 huggingface dataset:
High‐performance liquid chromatography and LC‐ESI‐MS method for identification and quantification of two isomeric polyisoprenylated benzophenones isoxanthochymol and camboginol in different extracts of Garcinia species
Authors: Kumar Satyanshu , Sharma Shelly , Chattopadhyay Sunil K.
Published: April 2009

A rapid, sensitive and simple reverse‐phase high‐performance liquid chromatography–electrospray ionization mass spectrometric method has been developed for the identification and quantification of two isomeric polyisoprenylated benzophenones, isoxanthochymol and camboginol, in the extracts of the stem bark, seeds and seed pericarps of Garcinia indica and in the fruit rinds of Garcinia cambogia. The separation of isoxanthochymol and camboginol was achieved on a Perkin Elmer RP8 column (10 × 2.1 mm with 5.0 µm particle size) using a solvent system consisting of a mixture of acetonitrile–water (80:20, v/v) and methanol–acetic acid (99.0:1.0, v/v) as a mobile phase in a gradient elution mode. The limits of detection and quantification were 5 and 10 µg/mL for isoxanthochymol and 50 and 100 µg/mL for camboginol, respectively. The intra‐ and inter‐day precisions were 2.34 and 3.41% for isoxanthochymol and 3.35 and 3.66% for camboginol. The identity of the two isomeric compounds in the samples was determined on a triple quadrupole mass spectrometer with ESI interface operating in the negative ion mode. The method was used to identify and quantify isoxanthochymol and camboginol in the different extracts of two Garcinia species, Garcinia indica and Garcinia cambogia. Copyright © 2009 John Wiley & Sons, Ltd.
Rapid and sensitive LC‐MS method for pharmacokinetic study of vinorelbine in rats
Authors: Cheng Tiefeng , Si Duanyun , Liu Changxiao
Published: April 2009

A rapid and sensitive LC‐electrospray ionization‐MS method was developed for determining vinorelbine in rat plasma. A 100 µL plasma sample was treated using a protein precipitation procedure and was chromatographed within 4 min using an Inertsil ODS‐3 C18 (2.1 × 50 mm, 5 µm) column. The selected ion monitoring ions [M + H]+ were m/z 779 and m/z 811 for vinorelbine and vinblastine (internal standard), respectively. The method validation showed that the calibration curve for vinorelbine was linear over a concentration range of 1–1000 ng/mL with lower limit of quantification at 1 ng/mL. The method has been successfully applied to pharmacokinetics in rat plasma. Copyright © 2009 John Wiley & Sons, Ltd.
Cover Picture: The Minimal Size of Liposome‐Based Model Cells Brings about a Remarkably Enhanced Entrapment and Protein Synthesis (ChemBioChem 6/2009)
Authors: Pereira de Souza Tereza , Stano Pasquale , Luisi Pier Luigi
Published: April 2009

The cover picture shows the concept of semisynthetic cell construction by co‐ entrapping DNA, enzymes, ribosomes, tRNAs, and small compounds (amino acids, NTPs, etc.) within a lipid vesicle. In order to be able to synthesize a protein, all components of the translation–transcription machinery must be present in the compartment, which is formed spontaneously by lipid self‐assembly. Defined as cells containing the minimal and sufficient number of components to be defined as “alive”, minimal cells have recently become one of the most challenging and attractive goals of synthetic biology. The minimal size of protein‐synthesizing liposomes, as determined in this study, is around 100 nm (radius). In the background, electronmicrographs of ferritin‐containing vesicles (top) and self‐reproducing vesicles (bottom) are shown. The self‐reproduction of minimal cells is one of the challenging goals to be achieved by the semisynthetic approach. For further details, see the article by P. L. Luisi et al. on p. 1056 ff.

magnified image
Co‐operatively re‐engineering a financial services information supply chain: A case study
Authors: Fahy Martin , Feller Joseph , Finnegan Patrick , Murphy Ciaran
Published: April 2009

This paper presents a case study of the co‐operative design, development, and implementation of an XBRL‐enabled interorganizational system (IOS) by the Australian Prudential Regulation Authority, the Reserve Bank of Australia (central bank), and the Australian Bureau of Statistics to revolutionize reporting by financial institutions in Australia. The findings illustrate that the complexity of data consumption patterns drove increased interdependence within the financial information supply chain requiring the co‐operative development of context sensitive data exchanges and commodity‐like IT infrastructures. The paper concludes that the co‐operative model to IOS development exhibited here is likely to be more suited to the development of systems for financial information supply chains than the hub and spoke model characteristic of IOS in other sectors. Copyright © 2009 ASAC. Published by John Wiley & Sons, Ltd.
Dusty Plasma Structures in Magnetic DC Discharges
Authors: D'yachkov L. G. , Petrov O. F. , Fortov V. E.
Published: April 2009

Results are described of experiments in studying the effect of magnetic field on dusty plasma structures in dc discharges. The levitation of dust particles in vertically oriented dc discharges is possible either in the vicinity of the flat surface of cathode (or of special additional electrode) or in an electrostatic trap which forms at the striation head during the stratification of positive column. The most interesting one of the observed effects is that of rotation of dust structures in the case of imposition of axial magnetic field. The rotation occurs about the discharge axis of symmetry with a velocity which is a nonmonotonic function of magnetic force. An increase in the field may cause the variation of direction of rotation for the opposite. An interpretation is given of the mechanism of rotation and of the inversion of its velocity. The rotation of dust structures is caused by the tangential component of ion drag force. It is demonstrated that the inversion is, in the final analysis, associated with the competition between two mechanisms of plasma recombination, namely, those on the discharge tube wall and on the surface of dust particles. When the magnetic field increases, the latter mechanism becomes predominating as a result of magnetization of plasma, and the inversion of rotation occurs (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Comparative studies of various hyaluronic acids produced by microbial fermentation for potential topical ophthalmic applications
Authors: Guillaumie Fanny , Furrer Pascal , Felt‐Baeyens Olivia , Fuhlendorff Birgit L. , Nymand Søren , Westh Peter , Gurny Robert , Schwach‐Abdellaoui Khadija
Published: April 2009

This work presents a comparative study of various hyaluronic acids (HA) produced by fermentation of either Bacillus subtilis or Streptococcus towards the selection of an optimal molecular weight (MW) HA for the preparation of topical ophthalmic formulations. The influence of HA MW on water binding capacity, sterile filtration, rheological properties, precorneal residence time and ocular tolerance of ophthalmic solutions was investigated. Molecular weight did not affect hydration of hyaluronic acid according to differential scanning calorimetry (DSC). In general, medium MW HA (0.6–1 MDa) resulted in solutions that were superior in terms of sterile filtration and kinematic viscosity requirements compared to high MW HA (>1 MDa). Moreover, all HA‐based solutions exhibited well‐defined viscoelastic properties that depend on MW. Gamma scintigraphic data indicated that HA MW at 0.1% concentration (w/v) and HA origin did not significantly affect the corneal residence time on rabbit eyes. A 0.3% solution of high MW HA had a prolonged residence time in the precorneal area compared to a medium MW HA at the same concentration. Finally, an in vivo ocular irritation test based on confocal laser scanning ophthalmoscopy (CLSO) conclusively showed the excellent tolerance of both Bacillus‐derived HA and Streptococcus‐derived HA after topical instillation onto the corneal surface. Overall, this comprehensive work highlights the superiority of medium MW hyaluronic acid for topical ophthalmic formulations based on their physico‐chemical and biological properties, tolerance and handling. Such solutions are expected to enhance tear film stability, to allow for maximum comfort, and to exhibit high residence times, while being biocompatible and easy to sterile filter. © 2009 Wiley Periodicals, Inc. J Biomed Mater Res, 2010
Dynamic mechanical analysis and esterase degradation of dentin adhesives containing a branched methacrylate
Authors: Park Jong‐Gu , Ye Qiang , Topp Elizabeth M. , Lee Chi H. , Kostoryz Elisabet L. , Misra Anil , Spencer Paulette
Published: April 2009

A study of the dynamic mechanical properties and the enzymatic degradation of new dentin adhesives containing a multifunctional methacrylate are described. Adhesives contained 2‐hydroxyethyl methacrylate, 2,2‐bis[4‐(2‐hydroxy‐3‐methacryloxypropoxy) phenyl]‐propane, and a new multifunctional methacrylate with a branched side chain‐trimethylolpropane mono allyl ether dimethacrylate (TMPEDMA). Adhesives were photopolymerized in the presence of 0, 8, and 16 wt % water to simulate wet bonding conditions in the mouth and compared with control adhesives. The degree of conversion as a function of irradiation time was comparable for experimental and control adhesives. In dynamic mechanical analysis, broad tan δ peaks were obtained for all samples, indicating that the polymerized networks are heterogeneous; comparison of the full‐width‐at‐half‐maximum values obtained from the tan δ curves indicated increased heterogeneity for samples cured in the presence of water and/or containing TMPEDMA. The experimental adhesive showed higher Tg and higher rubbery modulus indicating increased crosslink density when compared with the control. The improvement in esterase resistance afforded by adhesives containing the TMPEDMA is greater when this material is photopolymerized in the presence of water, suggesting better performance in the moist environment of the mouth. The improved esterase resistance of the new adhesive could be explained in terms of the densely crosslinked network structure and/or the steric hindrance of branched alkyl side chains. © 2009 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 2009
Fetuin and osteocalcin interact with calcospherite formation during the calcification process of poly(2‐hydroxyethylmethacrylate) in vitro: a Raman microspectroscopic monitoring
Authors: Libouban H. , Filmon R. , Mauréac A. , Baslé M. F. , Chappard D.
Published: April 2009

Calcification is a complex process implying numerous proteins acting as nucleators, ion transporters and crystal growth regulators. Several proteins impair mineralization, such as fetuin and osteocalcin [(bone Gla protein), BGP]. We have evaluated their effets on the biomimetic calcification of carboxymethylated poly(2‐hydroxyethyl methacrylate).

Polymer pellets were incubated in synthetic body fluid for 4 days at 37 °C to induce nucleation. They were transferred for 11 days in a fresh medium containing fetuin (5 mg/ml) or BGP (1 mg/ml) or a combination of boths. Pellets were examined by scanning and transmission electron microscopy. Detection of proteins was done by immunogold and Raman microspectroscopy. Calcospherites were dissolved, Ca and P were dosed. BGP did not modify the amount of CaP or the Ca/P ratio, but the mean size of calcospherites was two times larger than controls. Fetuin reduced the number of calcospherites and the amount of CaP but increased the Ca/P ratio. CaP deposition was reduced on pellets incubated with both proteins, and calcospherites appeared considerably smaller. Immunogold and Raman spectroscopy identified both proteins adsorbed on hydroxyapatite (HA) tablets. Noncollagenous proteins control HA crystal growth in a different manner. The interaction between fetuin and BGP reduced the amount of calcified material deposited but also affected the morphology of the calcospherites. Copyright © 2009 John Wiley & Sons, Ltd.
An in vivo model of external superior laryngeal nerve paralysis
Authors: Roy Nelson , Barton Michael E. , Smith Marshall E. , Dromey Christopher , Merrill Ray M. , Sauder Cara
Published: April 2009

Objectives/Hypothesis:

For over 100 years, a controversy has existed regarding the laryngeal signs that should be considered pathognomonic of unilateral external superior laryngeal nerve (ESLN) paralysis. By selectively blocking the ESLN using lidocaine, we attempted to identify the salient laryngeal features associated with acute, unilateral cricothyroid (CT) muscle dysfunction.

Study Design:

Prospective, repeated measures, experimental design.

Methods:

Ten vocally normal adult males underwent lidocaine block of the right ESLN with laryngeal electromyography verification. Flexible videolaryngostroboscopic (FVLS) recordings were acquired before and during the block. Eleven blinded, expert judges, rated randomized pre‐ versus during block recordings of 10 vocal tasks using standardized FVLS rating protocols.

Results:

Contrary to recent clinical reports, no evidence of hypomobility/sluggishness of the ipsilateral vocal fold, or a consistent pattern of axial rotation of the larynx was observed. Instead, the analysis revealed: 1) deviation of the petiole of the epiglottis to the side of weakness in 60% of participants during a glissando up maneuver produced at normal volume, and 2) axial rotation of the posterior commissure to the left and the anterior commissure to the right in 50% of participants during a maneuver which rapidly alternated between a maximum vocal fold abduction task (sniff) and a high‐pitched “ee” production.

Conclusions:

Neither of these laryngeal findings has been reported previously. They potentially represent valuable diagnostic markers of acute, unilateral CT paralysis. Clinical populations need to be explored to better appreciate the diagnostic value and precision of these laryngeal signs. Laryngoscope, 2009
Safety on an inpatient pediatric otolaryngology service: Many small errors, few adverse events
Authors: Shah Rahul K. , Lander Lina , Forbes Peter , Jenkins Kathy , Healy Gerald B. , Roberson David W.
Published: April 2009

Objectives:

Studies of medical error demonstrate that errors and adverse events (AEs) are common in hospitals. There are little data of errors on pediatric surgical services.

Methods:

We retrospectively reviewed 50 randomly selected inpatient admissions to the otolaryngology service at a tertiary care children's hospital. We used a “zero‐defect” paradigm, recording any error or adverse event—from minor errors such as illegible notes to more significant errors such as mismanagement resulting in a bleeding emergency.

Results:

A total of 553 errors/AEs were identified in 50 admissions. Most (449) were charting or record‐keeping deficiencies. Minor AEs (n = 26) and moderate AEs (n = 8) were present in 38% of admissions; there were no major AEs or permanent morbidity. Medication‐related errors occurred in 22% of admissions, but only two resulted in minor AEs. There was a positive correlation between minor errors and AEs; however, this was not statistically significant.

Conclusions:

Multiple errors occurred in every inpatient pediatric otolaryngology admission; however, only 26 minor and eight moderate AEs were identified. The rate of errors per 1,000 hospital days (6,356 per 1,000 days) is higher than previously reported in voluntary reporting studies, possibly due to our methodology of physician review with a “zero‐defect” standard. Trends in the data suggest that the presence of small errors may be associated with the risk of adverse events. Although labor‐intensive, physician chart review is a valuable tool for identifying areas for improvement. Although small errors were common, there were few harms and no major morbidity. Laryngoscope, 2009
Erratum: Investigation of drug release and 1H‐NMR analysis of the in situ forming systems based on poly(lactide‐co‐glycolide)
Authors: Mohamadnia Z. , Ahmadi E. , Rafienia M. , Mirzadeh H. , Mobedi H.
Published: April 2009

This paper was published online on 10 October 2008 (DOI: 10.1002/pat.1279) and appears in the January 2009 issue (Vol. 20, No. 1, pp. 48‐57). The following changes should be recognized:

The second corresponding author should be changed to M. Rafiena.

** Correspondence to: M. Rafienia, Medical Physics and Medical Engineering Department, Isfahan University of Medical Sciences (IUMS), P.O. Box 81744‐176, Isfahan, Iran. E‐mail: m_rafienia@med.mui.ac.ir
Formation of Extended 1D and 2D Coordination Polymers in Tetrathioether Complexes of Mercury(II) and Copper(I): Crystal Structures of [{{Ge(CH2SPh)4}HgBr2}n] and [{{Ge(CH2SPh)4}(Cu2l2}}n]
Authors: Peindy Harmel N. , Guyon Fabrice , Khatyr Abderrahim , Knorr Michael , Gessner Viktoria H. , Strohmann Carsten
Published: April 2009

A one‐dimensional (1D) coordination polymer of stoichiometry [{{Ge(CH2SPh)4}HgBr2}n] (2b) has been prepared by treatment of HgBr2 with the functionalized germane Ge(CH2SPh)4 (1b), which is acting as a tetradentate thioether ligands. The extended structure results from weak intermolecular Hg–S interactions linking the monomeric {Ge(CH2SPh)4}HgBr2 units, as established using single‐crystal X‐ray diffraction. The effective coordination around the mercury atoms is best described as distorted octahedral. Upon reaction of CuI with 1b in a 2:1 metal‐to‐ligand ratio, the novel metal‐organic polymer [{{Ge(CH2SPh)4}(Cu2I2)}n] (3), which incorporates rhombic dinuclear Cu(μ‐I)2Cu units within its 2D sheet‐like network, was obtained. The luminescence properties of 1b and 3 have been investigated both in solution and in the solid state. Upon treatment of 1b with [{Re(μ‐Br)(CO)3(THF)}2] the mononuclear compound fac‐[ReBr(CO)3{Ge(CH2SPh)4}] (4) is formed. In this chelate complex, two CH2SPh arms are ligated on ReI, the remaining two CH2SPh arms are dangling.
Synthesis and Structural Characterization of Iron (III) Complexes with 2‐Hydroxyphenones
Authors: Lalia‐Kantouri Maria , Dimitriadis Theodor , Papadopoulos Christos D. , Gdaniec Maria , Czapik Agnieszka , Hatzidimitriou Antonios G.
Published: April 2009

Four iron(III) complexes [Fe(2‐OH‐phenone)3] (1–4), in which 2‐OH‐phenone is the anion of the ligands 2‐OH‐acetophenone(Hapo) (1′), 2‐OH‐propiophenone(Hppo) (2′), 2‐OH‐benzophenone(Hbpo) (3′) and 2‐OH, 4‐OCH3‐benzophenone(Hopo) (4′), were synthesized and characterized by physicochemical and spectral (IR, UV/Vis, Mössbauer) data. The X‐ray diffraction study of compound 2, tris(2‐hydroxypropiophenone)iron(III) [Fe(ppo)3] revealed a facial octahedral arrangement of the ligands around the iron(III) atom. The thermal decomposition for the compounds 2 and 4 was studied in nitrogen atmosphere, from ambient temperature to 1000 °C, by using the TG/DTG‐DTA technique. The compounds are very stable at ambient temperature but unstable upon heating giving as residue carbonaceous iron oxide.
Positive newborn screen in the biochemically normal infant of a mother with treated holocarboxylase synthetase deficiency
Authors: Nyhan W. L. , Willis M. , Barshop B. A. , Gangoiti J.
Published: April 2009

Expanded programmes of newborn screening permit early diagnosis in time to prevent serious complications. These programmes have begun to detect patients who might otherwise remain asymptomatic. An additional confounding variable is the positive screen that results from maternal rather than neonatal disease. This was the case in an infant in whom elevated hydroxyisovalerylcarnitine (C5OH) in his newborn screen was the result of placental transfer from his mother, whose holocarboxylase synthetase deficiency was being successfully treated with biotin. The mother had been diagnosed and treated with biotin prenatally. She had no phenotypic feature of holocarboxylase synthetase deficiency, most importantly no episodes ever of acute metabolic acidosis. In the infant a repeat screen was also positive. On day 28 the infant's plasma C5OH carnitine was 0.05 μmol/L (normal) and urinary organic acids on day 39 were normal. The mother's excretion of 3‐hydroxyisovaleric acid was 109 mmol/mol creatinine. These observations indicate that holocarboxylase synthetase deficiency is one more maternal metabolic disease which may lead to a positive screen in her unaffected newborn infant. They also make the point that holocarboxylase synthetase deficiency in an infant should be detectable in programmes of neonatal screening, which was not clear previously.
Koronare Herzkrankheit – Definitionen und Epidemiologie
Authors: Schoenenberger Andreas W. , Erne Paul
Published: April 2009

Die Häufigkeit der koronaren Herzkrankheit nahm besonders im 19. und anfangs des 20. Jahrhunderts in den Industrienationen mit der angestiegenen Lebenserwartung und veränderten Lebensgewohnheiten (betreffend Nahrung, körperliche Aktivität und Noxen) deutlich zu. Die koronare Herzkrankheit wurde auch zunehmend zu einer der wichtigsten Todesursachen. Bei den Todesraten kann in den letzten 50 Jahren allerdings eine gewisse Trendwende beobachtet werden, dies durch bessere Prävention und bessere Gesundheitsversorgung. Der vorliegende Artikel beleuchtet wichtige epidemiologische Daten und versucht, wichtige Begriffe zu definieren.
Pharmakotherapie der koronaren Herzkrankheit
Authors: Schoenenberger Andreas W. , Erne Paul
Published: April 2009

Hier werden die Indikationen zur Pharmakotherapie basierend auf den Studiendaten und aktuellen internationalen Richtlinien dargestellt. Es wird dabei auf die Behandlung der Ischämie, auf die Sekundärprävention und auf die Verbesserung der Prognose fokussiert. Der Gerinnungshemmung und der Behandlung des akuten Koronarsyndroms sind eigenständige Artikel gewidmet und werden hier nicht beschrieben. Ein korrekter Einsatz der für die Behandlung der koronaren Herzkrankheit zur Verfügung stehenden Pharmaka gemäß den aktuellen Richtlinien ist zentral, da nur so ein optimales Verhältnis von Nutzen und Risiko erreicht werden kann.
Gerinnungshemmung im akuten Koronarsyndrom
Authors: Steffel Jan , Lüscher Thomas F.
Published: April 2009

Die Hemmung der Gerinnung stellt ein Schlüsselprinzip der Therapie des akuten Koronarsyndroms dar. Zahlreiche Substanzen wurden für die Thrombozyteninhibition sowie zur Hemmung der plasmatischen Gerinnung entwickelt und befinden sich im täglichem klinischen Einsatz. Die therapeutische Hemmung der Aktivierung und Aggregation von Thrombozyten erfolgt über die Hemmung der Thromboxan-Synthese (durch Acetylsalicylsäure), Blockierung des ADP-Rezeptors (durch Thienopyridine), sowie durch die Hemmung des GP IIb/IIIa-Rezeptors. Die plasmatische Gerinnung wird vor allem durch Inhibition verschiedener Faktoren der Gerinnungskaskade geleistet, wofür klassischerweise vor allem unfraktioniertes Heparin und niedermolekulare Heparine zur Verfügung stehen. Über diese etablierten Therapien hinaus werden zunehmend neue Präparate (wie der ADP-Rezeptorantagonist Prasugrel oder die direkten Thrombin- und Faktor Xa-Hemmer) zur Gerinnungshemmung im akuten Koronarsyndrom entwickelt und eingesetzt. Welchen Platz sie schlussendlich für diese Indikation einnehmen, und ob sie zu einem breiten Einsatz oder lediglich zur Anwendung in speziellen Subpopulationen (z.B. bei Patienten mit hohem oder niedrigem Blutungsrisiko, bei Vorliegen von Aspirin- oder Clopidogrelresistenz etc.) kommen, werden erst große randomisierte Studien und «Real world»-Register zeigen können. Diese Review fasst die Wirkmechanismen sowie die klinische Verwendung der zum Einsatz kommenden Gerinnungshemmer im akuten Koronarsyndrom zusammen.
Stability of the two wings of the coiled-coil domain of ClpB chaperone is critical for its disaggregation activity
Authors: Watanabe Yo-hei , Nakazaki Yosuke , Suno Ryoji , Yoshida Masasuke
Published: April 2009

The ClpB chaperone forms a hexamer ring and rescues aggregated proteins in co-operation with the DnaK system. Each subunit of ClpB has two nucleotide-binding modules, AAA (ATPase associated with various cellular activities)-1 and AAA-2, and an 85-Å (1 Å=0.1 nm)-long coiled-coil. The coiled-coil consists of two halves: wing-1, leaning toward AAA-1, and wing-2, leaning away from all the domains. The coiled-coil is stabilized by leucine zipper-like interactions between leucine and isoleucine residues of two amphipathic α-helices that twist around each other to form each wing. To destabilize the two wings, we developed a series of mutants by replacing these residues with alanine. As the number of replaced residues increased, the chaperone activity was lost and the hexamer became unstable. The mutants, which had a stable hexameric structure but lost the chaperone activities, were able to exert the threading of soluble denatured proteins through their central pore. The destabilization of wing-1, but not wing-2, resulted in a several-fold stimulation of ATPase activity. These results indicate that stability of both wings of the coiled-coil is critical for full functioning of ClpB, but not for the central-pore threading of substrate proteins, and that wing-1 is involved in the communication between AAA-1 and AAA-2.
Evolution of implantation induced damage under further ion irradiation: Influence of damage type
Authors: Di Zengfeng , Wang Yongqiang , Nastasi Michael , Theodore N. David
Published: April 2009

The evolution of damage in silicon formed by H, He, and Si ion implantations under further ion irradiation, where the ion energy is primarily deposited into electronic excitation, has been studied at 77 K and at room temperature. For damage introduced by He or Si ion implantation, which primarily consists of vacancy and interstitial type defects, a subsequent irradiation with 110 keV protons at room temperature results in a decrease in ion channeling direct backscattering yield, while no change is observed when the irradiation is carried out at 77 K. In contrast, H ion implantation damage, which mainly consists of H-stabilized defects, is observed to increase under the same following on 110 keV proton irradiation at both room temperature and 77 K. The differences in damage evolutions can be used to construct a coherent picture of how energy deposited into electronic processes affects defect dissociation, migration, and reconstruction and the final damage morphology.
Probing the geometry dependence of molecular dimers with two-dimensional-vibronic spectroscopy
Authors: Seibt Joachim , Renziehausen Klaus , Voronine Dmitri V. , Engel Volker
Published: April 2009

Two-dimensional (2D) vibronic correlation spectra of molecular dimers are calculated, taking a single vibration in each monomer into account. Within the employed wave function approach, the coupling to a surrounding is included only phenomenologically. It is shown that this offers a straightforward understanding of the spectra. The influence of the relative orientation of the monomer transition dipole moments and the electronic coupling strength is investigated. Employing a model for perylene bisimide, we predict the 2D-vibronic spectra for the monomer and dimer configurations.
Electrical properties of Cu/a-BaTiO3/Cu capacitors studied in dc and ac regimes
Authors: El Kamel F. , Gonon P. , Radnóczi G.
Published: April 2009

Electrical properties of Cu/a-BaTiO3/Cu capacitors have been investigated in both dc and ac regimes as a function of temperature. A clear correlation is found between the temperature dependence of dc leakage currents and the temperature variation of the dielectric relaxation, showing that these measurement techniques are probing the same defects. Using either of these two techniques, we were able to detect at least three types of electrical active defects. Oxygen vacancy diffusion takes place at high temperature with an activation energy of around 1 eV. The diffusion of copper creates ionic defects in the a-BaTiO3 layer, which introduces two other contributions to the conduction process. The first is related to the motion of ionic species (ionic conduction, thermally activated with an activation energy of 0.3 eV). In addition, it has been argued that the presence of copper ions introduces a discrete set of shallow traps within the bandgap, resulting in a n-type conductivity (electronic conduction). The traps depth and their effective density are 0.45 eV and 4×1016 cm−3, respectively.
On removal of charge singularity in Poisson–Boltzmann equation
Authors: Cai Qin , Wang Jun , Zhao Hong-Kai , Luo Ray
Published: April 2009

The Poisson–Boltzmann theory has become widely accepted in modeling electrostatic solvation interactions in biomolecular calculations. However the standard practice of atomic point charges in molecular mechanics force fields introduces singularity into the Poisson–Boltzmann equation. The finite-difference/finite-volume discretization approach to the Poisson–Boltzmann equation alleviates the numerical difficulty associated with the charge singularity but introduces discretization error into the electrostatic potential. Decomposition of the electrostatic potential has been explored to remove the charge singularity explicitly to achieve higher numerical accuracy in the solution of the electrostatic potential. In this study, we propose an efficient method to overcome the charge singularity problem. In our framework, two separate equations for two different potentials in two different regions are solved simultaneously, i.e., the reaction field potential in the solute region and the total potential in the solvent region. The proposed method can be readily implemented with typical finite-difference Poisson–Boltzmann solvers and return the singularity-free reaction field potential with a single run. Test runs on 42 small molecules and 4 large proteins show a very high agreement between the reaction field energies computed by the proposed method and those by the classical finite-difference Poisson–Boltzmann method. It is also interesting to note that the proposed method converges faster than the classical method, though additional time is needed to compute Coulombic potential on the dielectric boundary. The higher precision, accuracy, and efficiency of the proposed method will allow for more robust electrostatic calculations in molecular mechanics simulations of complex biomolecular systems.
Dual mode operation of bistable chiral splay nematic liquid crystal cell using horizontal switching for dynamic operation
Authors: Lee Seong Ryong , Lee Joong Ha , Jhun Chul Gyu , Kwon Soon-Bum , Yoon Tae-Hoon , Kim Jae Chang
Published: April 2009

We propose a dual mode liquid crystal display (LCD), which can realize dynamic and memory operating LCD modes in a display panel. Horizontal switching and bistable chiral splay nematic LCD modes are used for the dynamic and memory operations, respectively. As the horizontal switching is applied to the dynamic operation, it is possible to use the same LC texture of splay for realizing dark states of both the dynamic and memory operations. Because, for each operation, pixel division is not required in the proposed dual mode LCD, there is no decrease in aperture ratio and resolution. In order to obtain superior display performance for both operations, a wideband half-wave configuration is employed to the proposed dual mode LCD. Due to the wideband configuration, very low light leakages at the dark state and good dispersion characteristics for the entire visible range are obtained. As a result, the proposed dual mode LCD shows a high contrast ratio of over 100:1 for both the dynamic and memory operations.
Trimmed-diamond shaped toggle magnetoresistive random access memory cells
Authors: Fukuma Y. , Fujiwara H. , Visscher P. B. , Mankey G. J.
Published: April 2009

We have performed micromagnetic simulations for the design of toggle magnetoresistive random access memory (MRAM) cells to make the operating field as low as possible while keeping a reasonable margin and thermal stability. The memory cells are composed of weakly coupled synthetic antiferromagnets. The cells are diamond-shaped to suppress the formation of edge domains, which increase the operating field. The adverse effect of the diamond shape making the remanent state too stable is prevented by trimming the sharp points. The optimization of the trimming allows us to reduce the operating field and offer a pathway for realizing high-density toggle MRAM.
Stripe to “spin-quantum well” formation and collective spin reorientation in self-assembled Ni nanomagnets on GaN
Authors: Aurongzeb Deeder , Holtz Mark
Published: April 2009

We report domain formation and spin phase transition in annealing induced self-assembled Ni nanodots on GaN with size distribution greater than the exchange length. The as-deposited Ni film shows stripelike magnetic domains. The enclosed spin well phase occurs due to annealed induced structural transition in the films. The reorientation occurs only at the center of the island. We also observed the magnetic correlation length remains constant during the structural phase change despite spin reorientation. The magnetic correlation length is destroyed for well-formed nanodots.
An apparatus for in situ x-ray scattering measurements during polymer injection molding
Authors: Rendon Stanley , Fang Jun , Burghardt Wesley R. , Bubeck Robert A.
Published: April 2009

We report a novel instrument for synchrotron-based in situ x-ray scattering measurements during injection molding processing. It allows direct, real-time monitoring of molecular-scale structural evolution in polymer materials undergoing a complex processing operation. The instrument is based on a laboratory-scale injection molding machine, and employs customized mold tools designed to allow x-ray access during mold filling and subsequent solidification, while providing sufficient robustness to withstand high injection pressures. The use of high energy, high flux synchrotron radiation, and a fast detector allows sufficiently rapid data acquisition to resolve time-dependent orientation dynamics in this transient process. Simultaneous monitoring of temperature and pressure signals allows transient scattering data to be referenced to various stages of the injection molding cycle. Representative data on a commercial liquid crystalline polymer, Vectra® B950, are presented to demonstrate the features of this apparatus; however, it may find application in a wide range of polymeric materials such as nanocomposites, semicrystalline polymers and fiber-reinforced thermoplastics.
Infrared spectroscopic and theoretical studies on the formation of Au2NO− and AunNO (n=2–5) in solid argon
Authors: Teng Yun-Lei , Kohyama Masanori , Haruta Masatake , Xu Qiang
Published: April 2009

Laser-ablated gold atoms have been codeposited at 4 K with nitric oxide in excess argon and the low temperature reactions of Au with NO in solid argon have been studied using infrared spectroscopy. The reaction products Au2NO−, Au2NO, Au3NO, Au4NO, and Au5NO are formed in the present experiments and characterized on the basis of isotopic shifts, mixed isotope splitting patterns, stepwise annealing, the change in reagent concentration and laser energy, and comparison with theoretical predictions. Density functional theory calculations have been performed on these systems to identify possible reaction products. The agreement between the experimental and calculated vibrational frequencies, relative absorption intensities, and isotopic shifts supports the identification of these molecules based on the matrix infrared spectra. Plausible reaction pathways have been proposed for the formation of these molecules.
Matrix reorganization with intramolecular tunneling of H atom: Formic acid in Ar matrix
Authors: Trakhtenberg Leonid I. , Fokeyev Anatoly A. , Zyubin Alexander S. , Mebel Alexander M. , Lin S. H.
Published: April 2009

The intramolecular tunneling of hydrogen atom in formic acid HCOOH at low temperatures is considered based on literature experimental data on C–O internal rotation. The energetic and geometric parameters as well as vibrational frequencies for formic acid in cis and trans configurations surrounded by 12 Ar atoms are calculated in the frame of the MP2 approach with extended basis sets. The temperature and pressure dependence of the rate constant is analyzed taking into consideration the matrix reorganization for the Debye model of lattice motion. It has been shown that the available experimental data can be explained by the suggested matrix reorganization mechanism. Theoretical expressions for the temperature dependence of the rate constant agree well with the experimental data on the cis to trans tunneling reactions in formic acid with fitting parameters attaining reasonable values. A mechanism describing pressure dependence of the rate constant for H-atom intramolecular tunneling reactions is also proposed.
Structural and optical investigations of periodically polarity inverted ZnO heterostructures on (0001) Al2O3
Authors: Park J. S. , Goto T. , Hong S. K. , Lee S. H. , Lee J. W. , Minegishi T. , Park S. H. , Chang J. H. , Oh D. C. , Lee J. Y. , Yao T.
Published: April 2009

We report the structural and optical properties of one-dimensional grating of ZnO consisting of periodically polarity inverted structures on (0001) Al2O3 substrates. The inversion domain boundaries (IDBs) between the Zn- and the O-polar ZnO regions were clearly observed by transmission electronic microscopy. The investigation of spatially resolved local photoluminescence (PL) revealed strong excitonic emission at the interfacial region including the IDBs. The possible mechanism of strong PL has been discussed by the consideration of atomic configuration and carrier collection including its lifetime and diffusion process in Zn- and O-polar regions. Therefore the authors conclude that the IDBs can be active for the strong emission not a nonradiative center.
Highly selective left-handed transmission line loaded with split ring resonators and wires
Authors: Borja A. L. , Carbonell J. , Boria V. E. , Lippens D.
Published: April 2009

The frequency selectivity of coplanar transmission lines loaded with split ring resonators and shunt strips was dramatically improved owing to a blueshift of the electrical plasma frequency by oversizing the strip width. Beyond a higher rejection level, which was expected as a consequence of the deepening of the forbidden gap between the left- and right-handed dispersion branches, a huge enhancement in the loaded Q quality factors, while maintaining low insertion losses were also pointed out. This Q factor improvement was a consequence of a decrease in the coupling between the resonators and the transmission line.
The Role of Individuals in Policy Change: The Case of UK Low-Energy Housing
Authors: Lovell Heather
Published: April 2009

In this paper I examine the role of individuals in the policy process, drawing on research into a number of individuals active in UK low-energy housing during the 1990s. Kingdon's notion of a policy entrepreneur is critically assessed. Policy entrepreneurs are conceived of as working very closely with government trying to influence the day-to-day operations of the policy process. Here I broaden this definition, suggesting that individuals active outside of government circles can also have a significant impact on processes of policy change. Concepts from science and technology studies, including actor-network theory and innovation niches, are used to explore the relationship between low-energy housing entrepreneurs, the housing they built, and policy change. Sociotechnical approaches are helpful in thinking about both the potential for individuals operating outside of the policy arena to influence policy, as well as the agency of materials such as low-energy housing. The policy influence of the entrepreneurs is judged to be twofold: in reframing policy discourse, and in providing a model for new low-energy housing. In conclusion, the importance of attending to the local embeddedness of the entrepreneurs is discussed.
Quotative be like in American English
Authors: Barbieri Federica
Published: April 2009

This article investigates quotative use in American English in apparent and real time. The use of quotative be like, go and say in a corpus of conversation in American English dating 2004 / 2005 is compared with use in a similar corpus dating 1995 / 1996 (Barbieri 2007). Findings show that in present-day American English be like is the favorite choice for all speakers below age 40, and is extremely popular among young teenagers. The real time comparison reveals that speakers who in the mid-1990s were in their teens to mid-20s have not only maintained, but considerably increased use of be like over time; women aged 27–40 have also maintained use of be like over time. Such findings provide evidence of generational change, as well as of “lifespan change” (Sankoff 2005). Overall, the present findings indicate that be like is a true case of change in progress — a change still led by women; however they do not point to one particular type of change, suggesting that generational and communal change may operate simultaneously in the advancement of change.
From “friends” to “patrons”
Authors: Hakanen Marko , Koskinen Ulla
Published: April 2009

In this article, we examine a period when Sweden took a leap from a locally-oriented power structure to a more centralised state. This meant a profound social change. We concentrate on the connection between changes in rhetoric and changes in society that took place in the sixteenth and seventeenth centuries. Our point of departure is that, in rhetoric, there occurred a shift in balance from the rhetoric of friendship to the rhetoric of patronage. In the context of Sweden and Finland, we discuss whether this was linked to changes in administration and in the social order as a whole. Were there any real changes behind this rhetorical transition? Our source material provides a glimpse into whether and how social changes were reflected within the correspondence of two noblemen living at the end of the sixteenth and the beginning of the seventeenth centuries.
Empowerment and disempowerment in the Glencairn Uprising
Authors: Prentice Sheryl , Hardie Andrew
Published: April 2009

The Glencairn Uprising (1653–1654) was a military rebellion by Scottish Highlanders under the leadership of William, Earl of Glencairn, against the English government of Oliver Cromwell. This paper investigates the presentation of actors and groups on both sides of the Uprising — but most especially Glencairn himself — in the contemporary London press. The theoretical framework of the analysis is Critical Discourse Analysis (modelled especially on the approach of van Dijk 1991); however, a corpus-based methodology, and a partially-quantitative analysis, are employed. The documents in question — a corpus of newsbooks published in late 1653 and the first half of 1654 — are analysed by a process of assigning concordance lines extracted using a wide set of search terms to particular categories of discourse-semantic meaning. The newsbooks are shown to make use of greatly contrasting discourses in their representations of Glencairn and others, resulting in “discourses of empowerment and disempowerment” (the latter being associated secondarily with a “discourse of disunity”). By employing these discourses, the newsbook journalists discredit Glencairn and his associates, whilst crediting the English and their associates.
Re-visiting Salem
Authors: Chaemsaithong Krisda
Published: April 2009

This paper invites the reader to revisit the accused individuals’ response strategies in the Salem witchcraft trials from the perspective of pragmatic politeness. However, politeness, as used in this paper, refers to politeness to self, for the sake of one’s face — a concept that is different from, yet not incompatible with, that of Brown and Levinson (1987). The paper argues that it is more realistic to examine the trials from this perspective because the accused’s responses were in part driven by “what they thought others thought of them”, which is part of their “face”. As many as nineteen sub-strategies of self-politeness were found to be in operation. Such self-politeness strategies were critical in these trials because they helped the accused to achieve two goals: first, they could defend themselves, and, second, at the same time that the responses might have led them to being acquitted or to a partial and more lenient punishment (although it could not be guaranteed that the responses would work to a satisfactory end), the accused were able to enhance or restore, to a certain degree, their tarnished public image.
Cleaved secretory leucocyte protease inhibitor as a biomarker of chymase activity in allergic airway disease
Authors: Belkowski S. M. , Boot J. D. , Mascelli M. A. , Diamant Z. , De Garavilla L. , Hertzog B. , Polkovitch D. , Towers M. , Batheja A. , D'Andrea M. R.
Published: April 2009

Background
Secretory leucocyte protease inhibitor (SLPI), which is present in many physiological fluids including saliva, sputum and nasal discharge, is the most effective inhibitor of chymase. Previously, we demonstrated that chymase is able to cleave SLPI and that the cleaved portion, cSLPI, is a biomarker of chymase activity.

Objective
We investigated the potential of cSLPI as a biomarker of chymase activity in subjects with allergic rhinitis (AR) and asthmatic airway disease.

Methods
Baseline sputum samples were collected from atopic asthmatics and healthy controls (HC). Nasal lavages (NAL) were performed in subjects with AR both at baseline and following a nasal challenge with allergen or placebo. Levels of cSLPI and chymase were determined by Western analysis, and tryptase and α‐2 macroglobulin were measured by immunoassay.

Results
As compared with HC, asthmatics showed a significant increase in baseline cSLPI/total SLPI ratios and an increase in chymase levels. There was a high correlation of cSLPI/SLPI ratios to chymase levels in normal individuals and untreated asthmatics. In the NAL of patients with AR, as compared with placebo, allergen challenge increased inflammatory biomarkers, including cSLPI/SLPI ratios, chymase levels, tryptase levels and α2‐macroglobulin levels. Correlations were observed between cSLPI/SLPI ratios and chymase levels and cSLPI/SLPI ratios and α2‐macroglobulin levels; no correlation was seen between cSLPI/SLPI ratios and tryptase levels.

Conclusion
Our data indicate that cSLPI reflects chymase activity in AR and asthma. Hence, cSLPI may serve as a biomarker for disease activity and for monitoring the efficacy of novel anti‐inflammatory treatments in chymase‐mediated diseases.
Inhibition of matrix metalloproteinase-9 activity improves coronary outcome in an animal model of Kawasaki disease
Authors: Lau A C , Duong T T , Ito S , Wilson G J , Yeung R S M
Published: April 2009

Kawasaki disease (KD) is the leading cause of acquired heart disease of children in North America. It is characterized by a massive immune activation and multi-system vasculitis, which evolves into a site-specific inflammatory response focused at the coronary arteries. Coronary artery (CA) inflammation leads to elastin breakdown, destruction of the vessel wall and aneurysm formation. We have demonstrated recently the pivotal role of tumour necrosis factor (TNF)-α-mediated matrix metalloproteinase (MMP)-9 activity in the pathogenesis of elastin breakdown in a murine model of KD, Lactobacillus casei cell wall extract-induced coronary arteritis. Using this model, we evaluated the in vitro effects of doxycycline, an antibiotic with MMP inhibitory function, in modulating key pathogenic stages of disease leading to CA damage. Doxycycline inhibits T cell activation and TNF-α production in peripheral immune cells, as assessed by thymidine incorporation and a TNF bioassay respectively. Additionally, doxycycline inhibits directly MMP-9 enzymatic activity derived from TNF-α-stimulated vascular smooth muscle cells as assayed by zymography. More importantly, in vivo treatment of Lactobacillus casei cell wall extract (LCWE)-injected mice with doxycycline reduces significantly the incidence of CA elastin breakdown and reduces loss of elastin. Therefore, doxycycline can mitigate TNF-α-induced MMP-9-mediated coronary elastin breakdown and improve coronary outcome. Agents with the ability to inhibit both inflammation and the downstream effects of inflammation, such as MMP-9 activity, offer a promising therapeutic strategy for the management of children with KD.