bluuebunny/crossref_metadata_2025 huggingface dataset:
Titanium(IV)–Salan Catalysts for Asymmetric Sulfoxidation with Hydrogen Peroxide
Authors: Adão Pedro , Avecilla Fernando , Bonchio Marcella , Carraro Mauro , Costa Pessoa João , Correia Isabel
Published: November 2010

We report the synthesis and the solution and solid‐phase characterization of several titanium(IV)–salan complexes. The structures of the ligands H2sal(R,R‐chan), H2ovan(S,S‐chan), and H6pyr(R,R‐chan)4+·4Cl–·H2O were determined by single‐crystal X‐ray diffraction and their main features are compared and discussed. Single crystals suitable for X‐ray diffraction studies were also obtained for [Ti4{sal(R,R‐chan)}4(μ‐O)4] and showed a tetranuclear core bearing μ‐oxo bridges between the titanium atoms and the ligand wrapped around the Ti in a fac‐mer geometry. The Ti–salan complexes were tested as catalysts in the benchmark oxidation of thioanisole with H2O2 as oxidant in organic solvents. High H2O2 conversion and moderate enantioselectivities (up to 51 % ee) were obtained. In an effort to perform greener catalysis the complexes were tested in selected ionic liquids with several oxidants. [Ti{5‐MeO‐sal(R,R‐chan)}] was also covalently bound to a polystyrene matrix. tert‐Butyl hydroperoxide was found to be the most suitable oxidant for use in ionic liquids (100 % conversion vs. 80 % with H2O2) and in general the Ti–salan complexes showed better activity in ILs at 25 °C although with reduced induced asymmetry (up to 18 % ee).
Copper(II) Triflate Catalyzed Intermolecular Aromatic Substitution of N,N‐Disubstituted Anilines with Diazo Esters
Authors: Tayama Eiji , Yanaki Tomoyo , Iwamoto Hajime , Hasegawa Eietsu
Published: November 2010

The intermolecular aromatic substitution of N,N‐disubstituted anilines with diazo esters is achieved under mild conditions in the presence of a catalytic amount of copper(II) triflate (up to 89 % yield). The scope and limitations regarding substrates, diazo esters, and ligands in this reaction are described.
Plasma membrane and vesicular glutamate transporter expression in chromaffin cells of bovine adrenal medulla
Authors: Oliván A.M. , Pérez‐Rodríguez R. , Roncero C. , Arce C. , González M.P. , Oset‐Gasque M.J.
Published: November 2010

The study of the functional expression of glutamate signaling molecules in peripheral tissues has received relatively little attention. However, evidence is increasing for a role of glutamate as an extracellular signal mediator in endocrine systems, in addition to having an excitatory amino acid neurotransmitter role in the CNS. Chromaffin cells are good models of catecholaminergic neurons, in which previous work from our group demonstrated the existence of both functional glutamate receptors and specific exocytotic and nonexocytotic glutamate release. In this work, the presence of specific plasma membrane (EAATs) and vesicular glutamate (VGLUTs) transporters has been investigated by using confocal microscopy, flow cytometric analysis, Western blot, and qRT‐PCR techniques. We found specific expression of EAAT3, EAAT2, VGLUT1, and VGLUT3 in about 95%, 65%, 55%, and 25%, respectively, of the whole chromaffin cell population. However, chromaffin cells do not express VGLUT2 and have a very low expression of EAAT1. VGLUTs are localized mainly in the membrane fraction, and EAATs share their subcellular location between membrane and cytosolic fractions. Their estimated molecular weights were about 70 kDa for EAAT2, about 65 kDa for EAAT3, about 50 kDa for VGLUT1, and about 60 kDa for VGLUT3. RT‐qPCR techniques confirm the expression of these glutamate transporters at the mRNA level and show a different regulation by cytokines and glucocorticoids between VGLUT1 and ‐3 and EAAT2 and ‐3 subfamilies. These interesting results support the participation of these glutamate transporters in the process of glutamate release in chromaffin cells and in the regulation of their neurosecretory function in adrenal medulla. © 2010 Wiley‐Liss, Inc.
Patient‐reported events preceding the onset of rheumatoid arthritis: Possible clues to aetiology
Authors: Söderlin Maria K. , Bergsten Ulrika , Svensson Björn , for the BARFOT study group
Published: November 2010

Aims. Patients with rheumatoid arthritis (RA) often report events that they believe may have caused their disease. We attempted to characterize such causal events and the possible relationship between these and outcomes.

Methods. Between 1996 and 2004, 1,787 adult patients were included in the Better Anti‐Rheumatic FarmacOTherapy (BARFOT) early RA study in Sweden. Six possible causal events at baseline were predefined. Disease Activity Score 28‐joint count (DAS28) and treatment were registered at inclusion and at three, six and 12 months. The European League against Rheumatism (EULAR) response criteria were used.

Results. A total of 1,652 patients (92%) answered the question about possible causal events. Thirty per cent (490) of the patients believed that some event in particular had caused their RA. Sixteen per cent of the patients thought that infection, 4.4% psychological trauma, 4.1% physical trauma, 2.8% surgery, 1.5% pregnancy and 1.2% vaccination had been the cause. Younger patients attributed previous infection to their RA more often than older patients. There were no differences in EULAR response up to one year between patients who reported some event or infection and patients who did not. RA thought to be caused by infection showed a seasonal trend in the month of onset. Women reported that trauma had been a cause of their RA more often than men.

Conclusion. Thirty per cent of the patients reported some causal event and 16% reported infection to be the cause of their RA. There were differences in gender and age in what patients reported as the cause of their RA.
Photoluminescence properties of Eu3+ ions in Eu‐doped ZnO grown by sput‐ tering‐assisted metalorganic chemical vapor deposition
Authors: Terai Yoshikazu , Yoshida Kazuki , Kamarudin M. H. , Fujiwara Yasufumi
Published: November 2010

Photoluminescence (PL) properties of Eu‐doped ZnO (ZnO:Eu) grown by a sputtering‐assisted metalorganic chemical vapor deposition technique were investigated. In PL measurements under the high‐energy excitation above the band‐gap energy of ZnO (indirect‐excitation) at room temperature, the annealed sample showed clear red‐emission lines due to the intra‐4f shell transition of 5D0→7F2 in Eu3+. Under the low‐energy excitation resonant to the energy levels of 7F0–5D3 transitions (direct‐excitation), additional PL lines which showed fast thermal quenching were observed. These results revealed that the energy transfer from ZnO host to Eu3+ was accompanied, but there were inactive Eu3+ ions under the indirect‐excitation. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
A review of awareness in distributed collaborative software engineering
Authors: Omoronyia Inah , Ferguson John , Roper Marc , Wood Murray
Published: November 2010

Software development projects are inherently cooperative, requiring many developers to coordinate their efforts to produce complex systems. An integral part of this process is the development and maintenance of a shared understanding concerning the state of software project tasks, artefacts, and the activities and expertise of developers working on the project. In co‐located settings, this vitalawareness informationthat concerns developers, either directly or tangentially, is typically acquired using formal, regular meetings, informal personal interruptions and electronic communication. Developing and maintaining such an awareness are far more difficult in distributed teams where developers are separated by time and space. The goal of this review is to help bridge the gap between the theoretical benefits of distributed collaborative software development and the practical impediments to successful implementation, and more specifically, achieving similar levels of awareness in distributed settings to those available in co‐located settings. The review starts with a detailed discussion of awareness and awareness types with particular relevance to collaboration. This is followed by a discussion of how awareness information is disseminated during collaborative processes. Awareness information needs and dissemination mechanisms in software development teams are then presented. The main contribution of the review, derived from a comparison of awareness needs in distributed collaborative software engineering and current support from tools and techniques, is that more support is required for the type of awareness known ascontext awareness. Context awareness crosscuts other (more basic) forms of awareness and arises because, over time, individual collaborators work on different sets of tasks and artefacts and form different perceptions of their colleagues; their colleagues' work, roles, and relationships; and, the workspace. This awareness is highlycontextualand therefore cannot be generalized across individuals, entities or activities that are found in a collaboration space. Copyright © 2010 John Wiley & Sons, Ltd.
Zum Beultragverhalten längsausgesteifter Biegeträger nach Eurocode – Vereinfachungen und zutreffende Vorgehensweise
Authors: Unterweger Harald , Gänsluckner Gernot
Published: November 2010

Vollwandige, längsausgesteifte Biegeträger, wie beispielsweise Hauptträger von Stahl‐ und Verbundbrücken, werden neuerdings bzw. zukünftig hinsichtlich ihrer Beultragfähigkeit nach Eurocode EN 1993‐1‐5 ausgelegt. Dabei ergeben sich bei traditioneller Vorgehensweise, im Eurocode als Berechnungsmethode mit reduzierten Spannungen bezeichnet, mitunter deutlich konservativere Ergebnisse, verglichen mit den alten nationalen Normenwerken (ÖNORM, DIN).

Diese Feststellung stellte den Ausgangspunkt der Arbeit dar. Auf Basis realitätsnaher nichtlinearer Traglastberechnungen wurden für repräsentative Anwendungsfälle von längsausgesteiften Trägerstegen die Beultragfähigkeiten nach Eurocode überprüft und gegenüber gestellt. Im Zuge dessen wurde eine modifizierte Vorgehensweise hinsichtlich der Erfassung des knickstabähnlichen Verhaltens erarbeitet, die eine wirtschaftlichere Auslegung gestattet.

Einleitend wird die Vorgehensweise zur Ermittlung der Beultragfähigkeit nach Eurocode kurz zusammengefasst und die Auswirkungen zu den nationalen Normenwerken veranschaulicht. Danach werden die untersuchten Anlageverhältnisse sowie das FE‐Modell für die Traglastberechnungen erläutert und die Ergebnisse im Vergleich zum Eurocode dargestellt. Abschließend wird die empfohlene verbesserte Vorgehensweise zusammengefasst, und es erfolgen Hinweise für die praktische Berechnung, die auch nennenswerte Vereinfachungen enthalten.

Plate buckling capacity of longitudinally stiffened girders using the Eurocode – Simplified and improved rules. Plated girders with longitudinally stiffened webs, used for example as main girders for steel and composite bridges, are now designed based on the Eurocode EN 1993‐1‐5. Applying the traditional used reduced stress method, for practical examples often conservative results – compared to the old national codes (ÖNORM, DIN) – are found.

Based on this fact, nonlinear calculations were done to compare the ultimate plate buckling load with the design in the Eurocode. The results of the study are presented in this paper as well as an improved rule to get better results with the Eurocode. At the beginning the design rules of the Eurocode are briefly summarised and the differences compared to the existing national codes are presented. After that the studied stiffened web panels and their plate buckling capacity – based on the nonlinear calculations as well as on the rules of the Eurocode – are summed up. Finally the improved rules are presented and some recommendations for practical design are given.
Knicknachweise nach DIN EN 1993‐1‐1
Authors: Stroetmann Richard , Lindner Joachim
Published: November 2010

Im Hinblick auf die anstehende nationale Einführung der Eurocodes als DIN‐EN‐Fassungen werden im folgenden Beitrag die Regeln für Knicknachweise nach DIN EN 1993‐1‐1 vorgestellt. Nach einer Übersicht zu den Möglichkeiten der Nachweisführung und Ergänzungen zu den Imperfektionsansätzen für Bauteile werden die Ersatzstabnachweise systematisch dargestellt und eingehend erläutert. Es werden Hintergründe zu den Bemessungsregeln beschrieben sowie Parallelen und Unterschiede zur DIN 18800‐2 aufgezeigt. Zur Eingrenzung des Umfangs und besseren Übersicht beschränken sich die Ausführungen auf Querschnitte der Klassen 1 bis 3. Die Anwendung der Bemessungsregeln wird anhand von Beispielen verdeutlicht.

Member stability according to DIN EN 1993‐1‐1. With regard to the upcoming national implementation of the Eurocodes as DIN EN versions the following paper presents design rules for member stability according to DIN EN 1993‐1‐1. After the survey of different design approaches and additions to imperfections of structural members, the equivalent member method (Level‐1‐formulae) will be systematically described and explained in detail. Parallels and differences in comparison to DIN 18800‐2 are shown in the context of respective design rules. To place the focus on the basic essentials, this article concentrates on class 1 to 3 cross‐sections. The application of the design rules is demonstrated by means of examples.
Malunion following flexible intramedullary nails for tibial and femoral fractures in adolescents
Authors: Deakin D. E. , Winter H. , Jain P. , Bache C. E.
Published: November 2010

Purpose

Flexible intramedullary nails (FIN) are increasingly used in the management of paediatric tibial and femoral fractures. Concerns have recently been raised regarding the use of FIN in older children. The aim of this study was to determine how effective FIN is in treating tibial and femoral fractures in adolescents.

Methods

Patients aged 11 years or older undergoing FIN for tibial and femoral fractures between 2003 and 2009 were identified. Radiographs and case notes were reviewed to identify complications.

Results

Thirty-five consecutive adolescent patients underwent FIN for tibial ( n = 21) and femoral fractures ( n = 15), with a mean age of 12.9 years. The mean radiographic follow up was 29 weeks. Sixty percent (60%, n = 9) and 38% ( n = 9) of femoral and tibial fractures, respectively, malunited. Fracture severity was associated with increased malunion for both tibial and femoral fractures ( P = 0.046 and P = 0.044, respectively). Two femoral fractures took longer than 20 weeks to unite and seven tibial fractures took longer than 16 weeks to unite.

Conclusion

The higher than expected rates of malunion and delayed union in this study suggest that other treatments should be considered when treating adolescents with unstable tibial or femoral fractures.
CHARLES ROWCROFT, IRISH-AMERICANS, AND THE ‘RECRUITMENT AFFAIR’, 1855–1856
Authors: FENTON LAURENCE
Published: November 2010

This article examines the prelude to, and machinations surrounding, the arrest, trial, and expulsion from America of Charles Rowcroft, the British consul in Cincinnati. Rowcroft's difficulties were a direct consequence of the conniving of Irish-American nationalists in the region during the Crimean War. The article places these events in Cincinnati against a backdrop of intense Anglo-American diplomatic distrust. It also highlights the exaggerated Hibernophobic response of some British officials in the United States. A study of Irish-American nationalism during the 1850s, bridging the historical and historiographical gap between the 1848 Young Ireland rebellion and the beginnings of Fenianism, has long been wanting. This article is a first, important step toward filling that void, elucidating the hitherto hidden extent of Irish-American agitation during the Crimean War.
Jupiter and the other Giants: A Comparative Study
Authors: Encrenaz Thérèse
Published: November 2010

The four giant planets - Jupiter, Saturn, Uranus and Neptune - have common properties which make them very different from the terrestrial planets: located at large distances from the Sun, they have big sizes and masses but low densities; they all have a ring system and a large number of satellites. These common properties can be understood in the light of their formation scenario, based upon the accretion of protosolar gas on an initial icy core. Giant planets have been explored by space missions (Pioneer 10 and 11, Voyager 1 and 2, Galileo and Cassini) but also by Earth-orbiting satellites and ground-based telescopes. There are still open questions related to the origin and evolution of the giant planets, in particular their moderate migration, the origin of the cold planetesimals which formed Jupiter, the origin of the atmospheric dynamics in Jupiter and Saturn, and the differences in the internal structures of Uranus and Neptune.
Observations of mutual phenomena of Galilean's satellites at Catania
Authors: Fulvio Daniele , Blanco Carlo
Published: November 2010

The mutual phenomena between Jupiter and Saturn's satellites occur every half orbital period of these planets, when the Earth and the Sun cross their equatorial plane. At Physics and Astronomy Department of Catania University the events between Jupiter's satellites have been observed during the 1973, 1979, 1985/86, 1991, 1997 and 2009 campaigns and the ones between Saturn's satellites during the 1980/81 and 1995 campaigns. An overview of the main results obtained since 1973 is presented.
Cognitive behaviour therapy meets psychopharmacotherapy
Authors: Veale David , Stout Anna
Published: November 2010

This article provides an overview of the role of psychopharmacotherapy in common emotional disorders for cognitive behaviour therapists. We consider some of the philosophical difference between CBT and medication, when medication might interfere with CBT, when it may enhance outcome and when it might be safely discontinued. We highlight how to differentiate side-effects and symptoms of discontinuation of antidepressants from that of the underlying disorder. The scope of this article is confined to common emotional disorders and does not discuss the interaction of CBT with medication in, e.g. schizophrenia, bipolar disorder or dementia.
On the control of glacial‐interglacial atmospheric CO2 variations by the Southern Hemisphere westerlies
Authors: d'Orgeville M. , Sijp W. P. , England M. H. , Meissner K. J.
Published: November 2010

The University of Victoria Earth System Climate Model is used to investigate the effects of changes in Southern Hemisphere Westerlies (SHW) on atmospheric CO2. It is shown that a northward shift of the SHW and a decrease of their amplitude have the same qualitative effect on deep ocean carbon storage, which increases because of a deceleration of the bottom meridional overturning circulation. A southward shift or a strengthening of the SHW has the opposite effect. However, latitudinal shifts of the SHW and changes in their amplitude are not equivalent in terms of atmospheric CO2. In particular, while doubling the SHW amplitude increases atmospheric CO2 by 36 ppm and halving reduces it by 20 ppm, the latitudinal shifts (north‐ or southward) have no significant impact on atmospheric CO2. These different CO2 responses are due to different dynamical responses of the upper ocean circulation which, in the case of latitudinal shifts, produce a carbon storage change opposite to the one observed for the deep ocean. In all experiments, the changes in the biological carbon pump in response to a redistribution of the nutrients by the modified oceanic circulation remain small. Ultimately, the atmospheric CO2 response depends on the control the SHW exert on both the ventilation of the deep ocean and the depth of the upper ocean pycnocline.
Clinical Relevance of Cortical Spreading Depression in Neurological Disorders: Migraine, Malignant Stroke, Subarachnoid and Intracranial Hemorrhage, and Traumatic Brain Injury
Authors: Lauritzen Martin , Dreier Jens Peter , Fabricius Martin , Hartings Jed A , Graf Rudolf , Strong Anthony John
Published: November 2010

Cortical spreading depression (CSD) and depolarization waves are associated with dramatic failure of brain ion homeostasis, efflux of excitatory amino acids from nerve cells, increased energy metabolism and changes in cerebral blood flow (CBF). There is strong clinical and experimental evidence to suggest that CSD is involved in the mechanism of migraine, stroke, subarachnoid hemorrhage and traumatic brain injury. The implications of these findings are widespread and suggest that intrinsic brain mechanisms have the potential to worsen the outcome of cerebrovascular episodes or brain trauma. The consequences of these intrinsic mechanisms are intimately linked to the composition of the brain extracellular microenvironment and to the level of brain perfusion and in consequence brain energy supply. This paper summarizes the evidence provided by novel invasive techniques, which implicates CSD as a pathophysiological mechanism for this group of acute neurological disorders. The findings have implications for monitoring and treatment of patients with acute brain disorders in the intensive care unit. Drawing on the large body of experimental findings from animal studies of CSD obtained during decades we suggest treatment strategies, which may be used to prevent or attenuate secondary neuronal damage in acutely injured human brain cortex caused by depolarization waves.
Combustion Analysis of a Meteorite Debris
Authors: Kayani Saheeb Ahmed
Published: November 2010

In this research paper, nature and origins of a meteorite debris identified near village Lehri in district Jhelum, Pakistan have been determined. Total carbon content of a specimen of the meteorite debris is determined using combustion analysis and this abundance has been compared with values reported in literature to establish likely origins of the debris.
The nutritional phenotype database*. A real data structure for systems biology
Authors: Evelo Chris
Published: November 2010

Biology is rapidly developing into a data-driven science and faces not only the challenge of coping with an ever growing amount of data but also that of interpreting its complex diversity. The requirement of systems biology to connect different levels of biological research leads directly to a need for large scale data integration. The nutritional phenotype database (dbNP) addresses this challenge for nutrigenomics. A particularly urgent objective in coping with the data avalanche is making biologically meaningful information accessible to the researcher. In this presentation we will describe how we intend to meet this objective with the nutritional phenotype database. We will outline relevant parts of the system architecture, describe the kinds of data to be managed, and show how the system can support retrieval of biological meaningful information by means of biological profiles, pathways and ontologies in full-text and structured queries. Our presentation will point out critical points and will describe several technical hurdles and demonstrate how pathway analysis in the omics modules of the nutritional phenotype database can improve the functionality of queries and comparisons of nutrition studies. Directions for future research will be given. Through development of a ranking system for the results of free text queries we will aim to improve the user interaction with dbNP. Profiles describing the relevant changes in biological pathways and GO levels will be used in a mathematical way to calculate distances between the biological outcomes of experiments and will allow the user to ask intuitive questions like “what experiments showed an effect on apoptosis?” or “which other studies showed an effect that looked like mine?”.
3D Structure Development of Chikungunya Virus and its Structural Characterization – an In silico approach
Authors: Nayarisseri Anuraj , Yadav Mukesh , Rao Dowlathabad Muralidhara , Kukreja Sonam , Ahmed Sheaza , Singh Pooja
Published: November 2010

The 3 Dimensional structure of a protein is an expedient for structure based drug design and identifying the conformational epitopes that are foremost for designing the vaccines. Chikungunya (CHIKV) is a heat sensitive RNA virus which causes a viral disease which is transmitted in humans by human-mosquito-human transmission. Disease mostly found in the tropic and subtropical countries mainly in South India and in few other Asian countries. The primary transmission agents of Chikungunya Virus are yellow fever mosquito (Aedes aegypti) and forest day mosquito (Aedes albopictus). The forest day mosquito bites during day time and hence day time mosquito bite is the main reason for transmission. The main distinctive of the disease is a fever along with an arthritic type of pain in the joints. 3D Structure of Chikungunya virus is not encountered in the PDB Databank. A Comparative modeling method was used for the prediction of the 3D structure of Chikungunya virus. Modeled structure prvided substantial parameters under Ramachandran plot and stereochemical aspects of main chain and side chains through PROCHECK analysis. Finally the energy minimization protocols yielded a score of -12063.947 KJ/Mol and RMSD Value of 0.29oA. Structure Validation procedures proffer the use of present modeled structures for structure based drug design and other confirmative applications.
The human polycystin-2 protein represents an integral membrane protein with six membrane-spanning domains and intracellular N- and C-termini
Authors: Hoffmeister Helen , Gallagher Anna-Rachel , Rascle Anne , Witzgall Ralph
Published: November 2010

PKD2 is one of the two genes mutated in ADPKD (autosomal-dominant polycystic kidney disease). The protein product of PKD2, polycystin-2, functions as a non-selective cation channel in the endoplasmic reticulum and possibly at the plasma membrane. Hydrophobicity plots and its assignment to the TRP (transient receptor potential) family of cation channels suggest that polycystin-2 contains six transmembrane domains and that both the N- and C-termini extend into the cytoplasm. However, no experimental evidence for this model has so far been provided. To determine the orientation of the different loops of polycystin-2, we truncated polycystin-2 within the predicted loops 1–5 and tagged the constructs at the C-terminus with an HA (haemagglutinin) epitope. After transient expression and selective membrane permeabilization, immunofluorescence staining for the HA epitope revealed that loops 1, 3 and 5 extend into the lumen of the endoplasmic reticulum or the extracellular space, whereas loops 2 and 4 extend into the cytoplasm. This approach also confirmed the cytoplasmic orientation of the N- and C-termini of polycystin-2. In accordance with the immunofluorescence data, protease protection assays from microsomal preparations yielded protected fragments when polycystin-2 was truncated in loops 1, 3 and 5, whereas no protected fragments could be detected when polycystin-2 was truncated in loops 2 and 4. The results of the present study therefore provide the first experimental evidence for the topological orientation of polycystin-2.
Arachidonic acid fights palmitate: new insights into fatty acid toxicity in β-cells
Authors: Ortsäter Henrik
Published: November 2010

Saturated fatty acids are toxic to pancreatic β-cells. By inducing apoptosis, they contribute to a decrease in β-cell mass, a hallmark of Type 2 diabetes. In the present issue of Clinical Science, Keane and co-workers show that the polyunsaturated fatty acid arachidonic acid protects the β-cell against the toxic effects of palmitate. As Type 2 diabetes is characterized by subclinical inflammation, and arachidonic acid and metabolites thereof are produced during states of inflammation, it is possible that pancreatic β-cells use arachidonic acid as a compound for self-protection.
Adolescent subjective well‐being and family dynamics
Authors: Rask Katja , Åstedt‐Kurki Päivi , Paavilainen Eija , Laippala Pekka
Published: November 2010

The purpose of this study was to examine the relationships between adolescent subjective well‐being (SWB) and family dynamics perceived by adolescents and their parents. A sample of 239 pupils (51% female) from seventh and ninth grades completed the Berne questionnaire of SWB (youth form), two subscales from an original Finnish SWB scale and the Family Dynamics Measure II, and one of their parents (n = 239) filled in the Family Dynamics Measure II. Results indicated that parents assessed family dynamics better than did their adolescent child. Furthermore, there was no association between family dynamics perceived by adolescents and family dynamics assessed by one of their parents or between the adolescent SWB and parental perception of family dynamics. Multiple stepwise regression analysis indicated that certain aspects of family dynamics perceived by adolescents were related to adolescent global satisfaction and ill‐being. Specifically, adolescents' perception of high level of mutuality and stability in the family as well as male gender and lack of serious problems in family were predictors of adolescent global satisfaction. Furthermore, disorganization in the family and poor parental relationship perceived by adolescents, being female, serious problems and illness in family predicted a high level of adolescent global ill‐being.
Self-biased magnetoelectric response in three-phase laminates
Authors: Yang Su-Chul , Park Chee-Sung , Cho Kyung-Hoon , Priya Shashank
Published: November 2010

This study reports the experimental observation and analysis of self-biased magnetoelectric (ME) effect in three-phase laminates. The 2–2 L-T mode laminates were fabricated by attaching nickel (Ni) plates and ME particulate composite plates having 3–0 connectivity with 0.948Na0.5K0.5NbO3–0.052LiSbO3 (NKNLS) matrix and Ni0.8Zn0.2Fe2O4 (NZF) dispersant. The presence of two types of ferromagnetic materials, Ni and NZF, results in built-in magnetic bias due to difference in their magnetic susceptibilities and coercivity. This built-in bias (Hbias) provides finite ME effect at zero applied magnetic dc field. The ME response of bending mode trilayer laminate NKNLS-NZF/Ni/NKNLS-NZF in off-resonance and on-resonance conditions was shown to be mathematical combination of the trilayers with configuration NKNLS-NZF/Ni/NKNLS-NZF and NKNLS/Ni/NKNLS representing contributions from magnetic interaction and bending strain.
Structure of disordered gold-polymer thin films using small angle x-ray scattering
Authors: Teixeira F. S. , Salvadori M. C. , Cattani M. , Brown I. G.
Published: November 2010

We have investigated the structure of disordered gold-polymer thin films using small angle x-ray scattering and compared the results with the predictions of a theoretical model based on two approaches—a structure form factor approach and the generalized Porod law. The films are formed of polymer-embedded gold nanoclusters and were fabricated by very low energy gold ion implantation into polymethylmethacrylate (PMMA). The composite films span (with dose variation) the transition from electrically insulating to electrically conducting regimes, a range of interest fundamentally and technologically. We find excellent agreement with theory and show that the PMMA-Au films have monodispersive or polydispersive characteristics depending on the implanted ion dose.
Explicitly correlated coupled-cluster theory using cusp conditions. II. Treatment of connected triple excitations
Authors: Köhn Andreas
Published: November 2010

The coupled-cluster singles and doubles method augmented with single Slater-type correlation factors (CCSD-F12) determined by the cusp conditions (also denoted as SP ansatz) yields results close to the basis set limit with only small overhead compared to conventional CCSD. Quantitative calculations on many-electron systems, however, require to include the effect of connected triple excitations at least. In this contribution, the recently proposed [A. Köhn, J. Chem. Phys. 130, 131101 (2009)] extended SP ansatz and its application to the noniterative triples correction CCSD(T) is reviewed. The approach allows to include explicit correlation into connected triple excitations without introducing additional unknown parameters. The explicit expressions are presented and analyzed, and possible simplifications to arrive at a computationally efficient scheme are suggested. Numerical tests based on an implementation obtained by an automated approach are presented. Using a partial wave expansion for the neon atom, we can show that the proposed ansatz indeed leads to the expected (Lmax+1)−7 convergence of the noniterative triples correction, where Lmax is the maximum angular momentum in the orbital expansion. Further results are reported for a test set of 29 molecules, employing Peterson’s F12-optimized basis sets. We find that the customary approach of using the conventional noniterative triples correction on top of a CCSD-F12 calculation leads to significant basis set errors. This, however, is not always directly visible for total CCSD(T) energies due to fortuitous error compensation. The new approach offers a thoroughly explicitly correlated CCSD(T)-F12 method with improved basis set convergence of the triples contributions to both total and relative energies.
Nuclear magnetic resonance spectroscopic investigations of phase biaxiality in the nematic glass of a shape-persistent V-shaped mesogen
Authors: Figueirinhas João L. , Feio Gabriel , Cruz Carlos , Lehmann Matthias , Köhn Christiane , Dong Ronald Y.
Published: November 2010

Deuterium and carbon-13 NMR spectroscopy were used to study both the high temperature uniaxial nematic and the low temperature biaxial nematic glass of a shape-persistent V-shaped mesogen. It was found that biaxial ordering determined in the domains of the latter has symmetry lower than D2h and is compatible with C2h symmetry or lower. In particular, elements of the ordering matrix including biaxial phase order parameters were determined from H2 NMR at two temperatures, one just below the glass transition, and the other deep inside the biaxial glass, which allowed for the characterization of the dominant molecular motions at these temperatures. C13 NMR magic angle spinning sideband patterns, collected both in the high temperature nematic phase and in the nematic glass, clearly show the difference between them in terms of the phase symmetry.
Spin-component-scaled Møller–Plesset (SCS-MP) perturbation theory: A generalization of the MP approach with improved properties
Authors: Fink Reinhold F.
Published: November 2010

A rigorous perturbation theory is proposed, which has the same second order energy as the spin-component-scaled Møller–Plesset second order (SCS-MP2) method of Grimme [J. Chem. Phys. 118, 9095 (2003)]. This upgrades SCS-MP2 to a systematically improvable, true wave-function-based method. The perturbation theory is defined by an unperturbed Hamiltonian, Ĥ(0), that contains the ordinary Fock operator and spin operators Ŝ2 that act either on the occupied or the virtual orbital spaces. Two choices for Ĥ(0) are discussed and the importance of a spin-pure Ĥ(0) is underlined. Like the SCS-MP2 approach, the theory contains two parameters (cos and css) that scale the opposite-spin and the same-spin contributions to the second order perturbation energy. It is shown that these parameters can be determined from theoretical considerations by a Feenberg scaling approach or a fit of the wave functions from the perturbation theory to the exact one from a full configuration interaction calculation. The parameters cos=1.15 and css=0.75 are found to be optimal for a reasonable test set of molecules. The meaning of these parameters and the consequences following from a well defined improved MP method are discussed.
Molecular core-valence correlation effects involving the post-d elements Ga–Rn: Benchmarks and new pseudopotential-based correlation consistent basis sets
Authors: Peterson Kirk A. , Yousaf Kazim E.
Published: November 2010

Correlation consistent basis sets that are suitable for the correlation of the outer-core (n−1)spd electrons of the post-d elements Ga–Rn have been developed. These new sets, denoted by cc-pwCVXZ-PP (X=D,T,Q,5), are based on the previously reported cc-pVXZ-PP sets that were built in conjunction with accurate small-core relativistic pseudopotentials (PPs) and designed only for valence nsp correlation. These new basis sets have been utilized in benchmark coupled cluster calculations of the core-valence correlation effects on the dissociation energies and spectroscopic properties of several small molecules. As expected, the most important contribution is the correlation of the (n−1)d electrons. For example, in the case of the group 13 homonuclear diatomics (Ga2,In2,Tl2), this leads to a dissociation energy increase compared to a valence-only treatment from 1.5 to 3.2 kcal/mol, bond length shortenings from −0.076 to −0.125 Å, and harmonic frequency increases of 7–8 cm−1. Even in the group 15 cases (As2,Sb2,Bi2), the analogous effects of (n−1)d electron correlation are certainly not insignificant, the largest values being +4.4 kcal/mol, −0.049 Å, and +9.6 cm−1 for the effects on De, re, and ωe, respectively. In general, the effects increase in magnitude down a group from 4p to 6p. Correlation of the outer-core (n−1)p electrons is about an order of magnitude less important than (n−1)d but larger than that of the (n−1)s. The effect of additional tight functions for Hartree–Fock and valence sp correlation was found to be surprisingly large, especially for the post-4d and post-5d elements. The pseudopotential results for the molecules containing post-3d elements are also compared to the analogous all-electron calculations employing the Douglas–Kroll–Hess Hamiltonian. The errors attributed to the PP approximation are found to be very small.
On the nuclear magnetic resonance frequency of phosphorus donor atom in a silicon-based quantum computer
Authors: Mirzaei Hamidreza , Hui H. T.
Published: November 2010

The nuclear magnetic resonance (NMR) frequency of a single qubit structure of Kane’s solid-state quantum computer is investigated by using the perturbation theory. With higher-order excited states (up to 3d modes) included in our calculation, the perturbation frequencies and energies are obtained numerically. To compute for arbitrary A gate geometries, the perturbation potential inside the qubit structure is determined through an electromagnetic simulation method. Calculations show that the potential distributions for realistic A gate geometries are far from linear ones. Our results show that the A gate voltage has a much more effective control over the NMR frequency of the phosphorus nucleus than that previously shown. Using our method, arbitrary A gate structures of any shapes or geometries can be engineered for the realization of a solid-state scalable quantum computer. We also investigate an alternative A gate structure using SiGe as the insulation barrier. Our study shows that this A gate structure offers a much more efficient utilization of the control voltage than the original A gate structure using SiO2 as the insulation barrier.
Efficiency optimization and symmetry-breaking in a model of ciliary locomotion
Authors: Michelin Sébastien , Lauga Eric
Published: November 2010

A variety of swimming microorganisms, called ciliates, exploit the bending of a large number of small and densely packed organelles, termed cilia, in order to propel themselves in a viscous fluid. We consider a spherical envelope model for such ciliary locomotion where the dynamics of the individual cilia are replaced by that of a continuous overlaying surface allowed to deform tangentially to itself. Employing a variational approach, we determine numerically the time-periodic deformation of such surface which leads to low-Reynolds locomotion with minimum rate of energy dissipation (maximum efficiency). Employing both Lagrangian and Eulerian points of views, we show that in the optimal swimming stroke, individual cilia display weak asymmetric beating, but that a significant symmetry-breaking occurs at the organism level, with the whole surface deforming in a wavelike fashion reminiscent of metachronal waves of biological cilia. This wave motion is analyzed using a formal modal decomposition, is found to occur in the same direction as the swimming direction, and is interpreted as due to a spatial distribution of phase differences in the kinematics of individual cilia. Using additional constrained optimizations, as well as a constructed analytical ansatz, we derive a complete optimization diagram where all swimming efficiencies, swimming speeds, and amplitudes of surface deformation can be reached, with the mathematically optimal swimmer, of efficiency one-half, being a singular limit. Biologically, our work suggests therefore that metachronal waves may allow cilia to propel cells forward while reducing the energy dissipated in the surrounding fluid.
Displacement of particles in microfluidics by laser-generated tandem bubbles
Authors: Lautz Jaclyn , Sankin Georgy , Yuan Fang , Zhong Pei
Published: November 2010

The dynamic interaction between laser-generated tandem bubble and individual polystyrene particles of 2 and 10 μm in diameter is studied in a microfluidic channel (25 μm height) by high-speed imaging and particle image velocimetry. The asymmetric collapse of the tandem bubble produces a pair of microjets and associated long-lasting vortices that can propel a single particle to a maximum velocity of 1.4 m/s in 30 μs after the bubble collapse with a resultant directional displacement up to 60 μm in 150 μs. This method may be useful for high-throughput cell sorting in microfluidic devices.
Electric field modulation of thermopower for transparent amorphous oxide thin film transistors
Authors: Koide Hirotaka , Nagao Yuki , Koumoto Kunihito , Takasaki Yuka , Umemura Tomonari , Kato Takeharu , Ikuhara Yuichi , Ohta Hiromichi
Published: November 2010

To clarify the electronic density of states (DOS) around the conduction band bottom for state of the art transparent amorphous oxide semiconductors (TAOSs), InGaZnO4 and In2MgO4, we fabricated TAOS-based transparent thin film transistors (TTFTs) and measured their gate voltage dependence of thermopower (S). TAOS-based TTFTs exhibit an unusual S behavior. The |S|-value abruptly increases but then gradually decreases as Vg increases, clearly suggesting the antiparabolic shaped DOS is hybridized with the original parabolic shaped DOS around the conduction band bottom.
Generic concepts in Ericaceae: Styphelioideae - the Monotoca group
Authors: Albrecht D. E. , Owens C. T. , Weiller C. M. , Quinn C. J.
Published: November 2010

A morphological dataset for Monotoca R.Br. and its putative allies was subjected to parsimony analysis, augmented by a sequence dataset (the matK gene and the atpB–rbcL intergenic spacer) for selected species. Monotoca was found to be paraphyletic: three species currently assigned to Monotoca, together with two as yet undescribed species, all from south-western Western Australia, are placed in a clade sister to Oligarrhena, tribe Oligarrheneae, whereas the remaining species are robustly grouped as Monotoca sensu stricto within tribe Styphelieae. The former group is described as a new genus, Dielsiodoxa Albr., which is endemic in Western Australia. Cyathodes dealbata from Tasmania is placed sister to Monotoca sensu stricto in both analyses, and shows no close relationship with any species of Cyathodes sensu lato or its segregates. A new monotypic genus, Montitega C.M.Weiller, is erected for this taxon.
A taxonomic appraisal of the Chatham Islands flax (Phormium tenax) using morphological and DNA fingerprint data
Authors: Smissen R. D. , Heenan P. B.
Published: November 2010

A range of leaf forms of Phormium tenax J.R.Forst. & G.Forst. can be observed in the wild on the Chatham Island archipelago. At one extreme are plants with more or less upright leaves, similar to those observed in New Zealand P. tenax, and at the other extreme there are plants with floppy leaves. The upright-leaved form is found more or less throughout the archipelago, whereas the floppy-leaved form is concentrated in the southern part of Chatham Island, Pitt Island, and on the other southern islands (e.g. South East and Mangere islands). Analysis of amplified fragment length polymorphism (AFLP) and simple-sequence-repeat (SSR) variation, and comparison with a diverse sampling of New Zealand Phormium suggested that both Chatham Islands forms are indigenous and part of a common gene pool. We found no evidence of hybridism with Phormium introduced from New Zealand. Floppy-leaved forms are therefore linked to typical upright leaved P. tenax through upright-leaved plants with bent tips, and do not require taxonomic recognition. AFLP and SSR data both support the view that a plant collected from Ranui Cove, Auckland Island, is descended from Chatham Islands material, and was most likely introduced there by Ngāti Mutunga and Moriori settlers during the 19th century.
GIANT RINGS IN THE COSMIC MICROWAVE BACKGROUND SKY
Authors: Kovetz Ely D. , Ben-David Assaf , Itzhaki Nissan
Published: November 2010

We find a unique direction in the cosmic microwave background sky around which giant rings have an anomalous mean temperature profile. This direction is in very close alignment with the afore measured anomalously large bulk flow direction. Using Monte Carlo simulations, we estimate the significance of the giant rings at the 3σ level and the alignment with the bulk flow at 2.5σ. We argue that a cosmic defect seeded by a pre-inflationary particle could explain the giant rings, the large bulk flow, and their alignment.
On the measurement of energy fluxes in plasmas using a calorimetric probe and a thermopile sensor
Authors: Cormier Pierre-Antoine , Stahl Marc , Thomann Anne-Lise , Dussart Rémi , Wolter Matthias , Semmar Nadjib , Mathias Jacky , Kersten Holger
Published: November 2010

Two different diagnostics for the determination of the energy influx in plasma processes were used to characterize an ion beam source and an asymmetric RF discharge. The related energy fluxes were measured in dependence on the ion energy and on the RF power, respectively. The first sensor, called HFM (Heat Flux Microsensor) is a thermopile which allows for direct energy flux measurements. With the second sensor, a calorimetric probe, the energy influx has been calculated from the temporal temperature evolution preliminarily registered. Although the working principle of both sensors is different, the obtained results are in good agreement. In the ion beam (<1.5 keV)) rather high energy influxes are achieved (up to 700 mW cm−2), whereas the values measured in the asymmetric RF discharge were lower than 50 mW cm−2 for discharge powers in the range 10–100 W. The performances and limitations of both sensors are compared and discussed.
Electrical properties and reduced Debye temperature of polycrystalline thin gold films
Authors: Ma Weigang , Zhang Xing , Takahashi Koji
Published: November 2010

The temperature-dependent electrical properties of four suspended polycrystalline thin gold films with thicknesses of 20.0, 23.0, 36.0 and 54.0 nm have been measured in the temperature range 100–310 K. The measured results show that the electrical resistivity of the films significantly increases while the corresponding temperature dependence decreases compared with bulk gold. The significantly increased electrical resistivity indicates that grain boundary scattering dominates over surface scattering in the studied films. However, fixing the Debye temperature to the bulk value will lead to an erroneous temperature dependence of resistivity. Taking into account the reduced characteristic Debye temperature along with the surface and grain boundary scattering, the electrical properties of the films can be well described in the whole temperature range. The extracted grain boundary reflection coefficient is 0.3 ± 0.03, within the range of the previous reported values, 0.1–0.45. The films' characteristic Debye temperatures decrease from the bulk value of 165 K to between 83 and 121 K and tend to increase with increasing film thickness. This tendency coincides with the previous studies on thin gold, copper, platinum, silver films or wires, and cobalt/nickel superlattices. The possible mechanism responsible for the reduced Debye temperature is phonon softening at the surfaces, grain boundaries, disorder, defects and impurities, part of which has been demonstrated in other studies.