bluuebunny/crossref_metadata_2025 huggingface dataset:
Linking spatially explicit species distribution and population models to plan for the persistence of plant species under global change
Authors: FRANKLIN JANET , REGAN HELEN M. , SYPHARD ALEXANDRA D.
Published: November 2013

Conservation managers and policy makers require models that can rank the impacts of multiple, interacting threats on biodiversity so that actions can be prioritized. An integrated modelling framework was used to predict the viability of plant populations for five species in southern California's Mediterranean-type ecosystem. The framework integrates forecasts of land-use change from an urban growth model with projections of future climatically-suitable habitat from climate and species distribution models, which are linked to a stochastic population model. The population model incorporates the effects of disturbance regimes and management actions on population viability. This framework: (1) ranks threats by their relative and cumulative impacts on population viability, such as land-use change, climate change, altered disturbance regimes or invasive species, and (2) ranks management responses in terms of their effectiveness for land protection, assisted dispersal, fire management and invasive species control. Too-frequent fire was often the top threat for the species studied, thus fire reduction was ranked the most important management option. Projected changes in suitable habitat as a result of climate change were generally large, but varied across species and climate scenarios; urban development could exacerbate loss of suitable habitat.
Governing the urban wetlands: a multiple case-study of policy, institutions and reference points
Authors: HETTIARACHCHI MISSAKA , McALPINE CLIVE , MORRISON T. H.
Published: November 2013

Worldwide, coastal and floodplain wetlands are rapidly urbanizing, making them highly vulnerable to biodiversity loss, biological invasion and climate change. Yet urban wetlands management is an understudied area of global environmental research. Different policy approaches and institutional arrangements in place for urban wetlands governance have to be studied comparatively to obtain a better understanding of the current issues. This paper investigates four urban wetland policy regimes and the application of ecological reference points across four countries. The regimes are discussed within the context of global policy trends, urbanization patterns and environmental change. The analysis illustrates that the four cases deviate substantially in certain characteristics and converge in others. Global trends such as environmental treaties and restructuring of city spaces are common policy drivers for all cases. Conversely, the localized specific problems have yielded specialized policy responses in each case. Declaration of fixed biological reference points for wetlands were not used at any stage of the policy development process. However, the wetland managers formally or informally set up ecosystem-services oriented benchmarks for urban wetland management. Globally-applicable normative policy directives or universal ecological reference points seem bound to fail in urban wetlands governance. However, in designing effective urban wetland policy and institutions at the regional scale, both context-specific and generalized lessons from empirical policy evaluation of multiple case studies need to be jointly considered. Based on the characteristics of the policy regimes analysed in this study, a hypothetical framework for urban wetland policy evaluation is proposed; this has yet to be validated by empirical application to actual cases.
Influenza Vaccinations: Older Adults’ Decision-Making Process
Authors: McIntyre Amanda , Zecevic Aleksandra , Diachun Laura
Published: December 2013

Le but de cette étude était d’explorer les influences auto-évaluatives parmi les personnes plus âgées en décidant de prendre ou non le vaccin contre la grippe saisonnière. Trente-et-un receveurs et six non-receveurs (âgés de 67–91 ans) ont participé à six groupes de discussion à London, Ontario. Les réunions des groupes de discussion ont duré environ 60 minutes, ont été enregistrées sur bande audio-magnetique et transcrites mot à mot. Les principaux animateurs de la prise du vaccin étaient les recommandations et la confiance dans les professionnels de la santé, et la croyance en l’efficacité du vaccin. Les principaux obstacles étaient la peur des réactions indésirables et la croyance en la capacité de résistance des personnes âgées. L’Agence de la santé publique du Canada et les membres de professions paramédicales devraient sensibiliser les personnes âgées à un diagnostic précis des symptômes de la grippe, l’efficacité des vaccins et les populations qui sont à risque de contracter la grippe. L’accent devrait être mis sur la correction des idées fausses au sujet des effets indésirables.
The Evolving Role of ECOWAS and the SADC in Peace Operations: A Challenge to the Primacy of the United Nations Security Council in Matters of Peace and Security?
Authors: DE WET ERIKA
Published: December 2013

This article examines the evolution of military operations by the Economic Community of Western African States (ECOWAS) and the South African Development Community (SADC) over the last three decades. By looking at constitutional (treaty) developments and organizational practice, it questions whether these sub-regional organizations have displaced the primacy of the United Nations Security Council (UNSC) in matters pertaining to international peace and security, as foreseen in Articles 24(1) and 103 of the United Nations Charter (the UN Charter). The relevance of this question is underscored by the fact that ECOWAS and SADC have engaged in various peace operations since the 1990s. The article concludes that, since all the interventions under discussion were underpinned by the consent of the recognized government, it would be premature to suggest that the practice of African sub-regional organizations amounts to the emergence of a new customary right to engage in ‘first-instance enforcement action’.
Pharmacist-led medication reviews in primary care
Authors: Desborough JA , Twigg MJ
Published: December 2013

Medication reviews in primary care are now an established and important part of the care of patients on multiple medications. In the current NHS this review has demonstrated that pharmacist-led medication reviews can reduce inappropriate prescribing and offer an efficient approach to ensuring reviews are completed. These reviews appear best operationalized with experienced pharmacists who are closely aligned with the patients and prescribers through joined up services. Further developments in pharmacists’ communication skills with patient and prescribers may offer greater benefits in the future.
Augmentation of clozapine with amisulpride: an effective therapeutic strategy for violent treatment-resistant schizophrenia patients in a UK high-security hospital
Authors: Hotham James E. , Simpson Patrick J. D. , Brooman-White Rosalie S. , Basu Amlan , Ross Callum C. , Humphreys Sharon A. , Larkin Fintan , Gupta Nitin , Das Mrigendra
Published: November 2013

Objective

Clozapine is used in the management of treatment-resistant schizophrenia and is effective in reducing aggression; however a subgroup of patients is poorly responsive. For violent patients in this group, there is limited literature on the use of strategies to augment clozapine with other agents. Here we present a case series of 6 schizophrenia patients, within a high-security hospital, who have a history of serious violence and who were treated with clozapine augmented with amisulpride.

Methods

We reviewed case notes and health records for evidence of violence/aggression and positive factors such as engagement in activities, and Clinical Global Impression (CGI) scores were formulated. We also examined metabolic parameters before and after augmentation.

Results

All 6 of the patients showed clinical improvement in symptoms and a reduction in their risk of violence to others. Five patients had a reduction in number of violent/aggressive incidents, and all patients showed improvement in engagement in occupational, vocational, and/or psychological work. Metabolic parameters were largely unchanged except for 1 patient whose Body Mass Index (BMI) increased. Five patients reported side effects as unchanged or improved.

Conclusion

These schizophrenia patients with a history of violence showed clinical improvement and reduced aggression and violence with amisulpride augmentation of clozapine. To our knowledge, this is the first report of an antiaggressive benefit of this combination in forensic psychiatric patients. Further studies are warranted to establish the efficacy and anti-aggressive effects of amisulpride augmentation of clozapine.
Re-contextualising design: three ways of practising sustainable architecture
Authors: Farmer Graham
Published: November 2013

The predominant model of sustainable architecture is based on a sharp differentiation between technical and social realms that tends to situate architectural design practice in an ambiguous and marginalised position. Sustainable architecture as a whole has come to be dominated by a focus on engineering design with a related emphasis on energy efficiency and climate-change strategies that seek to improve the economic performance of buildings whilst providing little or no consideration of the wider contexts of architectural design and production. This paper argues for an expanded understanding of sustainable design and draws on ideas developed within the Philosophy of Technology to point to the broader cultural values and practices that surround particular design choices. From this perspective the work of engineers, architects, and other designers of the built environment provide settings upon which the ongoing dramas of political action are mounted.

Through analysis of ‘live’ student design-build projects, the paper explores three distinct conceptualisations of sustainable design practice in which buildings are interpreted as physical manifestations of differentiated frames of design thinking that emphasise either de-contextualised, context-bound or re-contextualising design processes. Although these apparently distinct practices can be analytically differentiated, it is argued that the realisation of sustainable design practices inevitably involves a seamless interaction and interchange between the differentiated dimensions. The conclusion draws on the work of Andrew Feenberg to conceptualise sustainable design as a concrete practice whereby abstract technical concerns and social considerations seamlessly converge to produce artefacts that fit specific contexts.
Producing space, the confrontation between abstract space and everyday life: ‘I wunder if heaven got a ghetto”
Authors: Carless Tonia
Published: November 2013

This paper is intended as a contribution to current debates about the changing conditions of urban space and uneven development. It will analyse the functions of the architectural professions in this process and how their productions prefigure the social and economic arrangement of space. It will examine these notions through analysis of Cardiff Bay and will analyse the changes occurring under late capitalism in the shift to Post-Fordist modes of accumulation. While the paper will examine the local space of Cardiff Bay, the analytical ground will be extended to the ongoing restructuring of space under the new global economies at a macro scale.

Urban restructuring is most evident in the decentred metropolis of the post-modern city, the new cities for consumption. The growth or collapse of multinational capital needs to be seen as framing the occupation of space, its investment and disinvestment, and as an ongoing process, part of a systematic reprogramming of space that can and should be examined at every stage of its operations.

Relocating the economic, political and social into considerations of space means that the paper will also incorporate historical analysis of modes of production and social formations. To consider space as ideological means that transfigured space must also be considered. The paper will therefore raise ideas that are directed towards the transformation of social and political space, and will examine that which identifies Lefebvre's distinction between appropriated and dominated space.
On concrete materiality in architecture
Authors: Poerschke Ute
Published: November 2013

What is material as such in architecture? To contribute an answer to this question, the article examines sources from the eighteenth century to today. Discussing Vitruvius' remarks on materiality, Francesco Algarotti cites his Venetian teacher Carlo Lodoli in a 1756 pamphlet on architecture: “For which reason does stone not represent stone, wood [not represent] wood, each material itself and not another?” The paper illuminates the background of this citation, and its adoption and interpretation by successive architectural theorists, such as Gottfried Semper(“Brick should appear as brick, wood as wood, iron as iron”), Eugene Viollet-le-Duc, and Frank Lloyd Wright, the latter emphasizing the importance “to see concrete or glass or metal each for itself and all as themselves.” The thread continues with Adolf Loos' statement that no material “may lay claim for itself to the forms of another material” and the Bauhaus model as taught by Laszlo Moholy-Nagy. Further investigations will concern Louis Kahn's question “What do you want, brick?” and end with Peter Zumthor's discussion of the “reality of building materials.” Discussing rationalist and sensualist approaches to material characteristics such as inner structure and outer surface, the article compares divers positions concerning the question of what can be understood as concrete materiality.
The Symbolist interior and crystal imagination
Authors: Dernie David
Published: November 2013

Transparency, translucency and surface reflectance are material qualities that underpin modernist aesthetics. The lightness and transparency of buildings remain manifestly contemporary and the walls of our cities continue to open up, as the default material of choice is glass. From London to Los Angeles, from the Shard to the Crystal Mall, the potency and immateriality of the crystal image is a liberation of the modern imagination. This paper concerns the crystal imagination as represented in the architectural interiors and poetry of Belgian symbolism. During the last decade of the nineteenth century, aesthetic theory and output in Brussels was, remarkably, more developed than that of other European capitals. For the Symbolist artists, coloured and patterned glass, mirrors and rare stones were deeply fascinating as they were at once transparent (see-through) and also contained an interior mysteriously closed to the world outside. As a reflection on the dominance of the visible in contemporary architecture, this paper explores the dual aspects of the crystal image – as both open and closed - and the notion of interior as it matures in the work of the architect Victor Horta. Here, a highly subjective taste for the artificial is combined with themes that surround the crystal and which continue into the materialism of modernist movement through German expressionism. Bruno Taut's Cologne Werkbund Exhibition Glashaus (1914) embodied Scheerbart's crystal visions, and went on to inspire the activist movement that was to deliver such dreams into political action. The paper comments on the development of Taut's ideas in modernism, and the correlation of glass and crystal to the singular experience of vision. It suggests that the crystal imagination of the late nineteenth century, and the potential for those crystal metaphors to disclose worlds not available to sight, still may provide rich inspiration for tomorrow's architectural visions.
Patient compliance with the use of vaginal dilators following pelvic radiotherapy for a gynaecological cancer
Authors: Punt Lisa
Published: December 2013

Background: In July 2005 the national forum of gynaecological oncology nurses published the first UK best practice guidelines for the use of vaginal dilators after pelvic radiotherapy. It was written following a Cochrane review by Denton and Maher suggesting that vaginal dilators minimised vaginal stenosis and improved sexual function. Women within the author’s large cancer centre are advised to use vaginal dilators in accordance with the national recommendations.

Primary outcome measure: To evaluate compliance with the use of vaginal dilators in women who have received radiotherapy for either cervix or endometrial cancer. Compliance was defined as the use of vaginal dilators two or more times a week, at 6 months.

Design: One hundred and sixty-four women were posted questionnaires. Potential participants had received pelvic radiotherapy for cancer of the cervix or endometrium, were 6 months to 5 years post-treatment and disease free. The 18-point questionnaire consisted of 11 points assessing demographics and dilator use, while points 12–18 related to vaginal symptoms. Simple descriptive statistics were used to describe demographics. Mann–Whitney U and Fisher’s exact tests were used for one-at-a-time analysis of compliance against age, vaginal symptoms, treatment modality and cancer type.

Results: Seventy-five completed questionnaires were returned (response rate 45.7%). Seventy-four out of the 75 respondents had been offered vaginal dilators during treatment. 89.2% (66/74) were compliant with vaginal dilation (95% confidence interval 80.1% to 94.4%).

Conclusion: The compliance rate in this study was greater than seen in previously published studies. This could be due to the intervention by practitioners within the author’s cancer centre. Further prospective evaluation studies are required to explore the potential benefits of intervention at 6 months post-treatment to improve long-term compliance.
Need for Cognition
Authors: Furnham Adrian , Thorne Jeremy D.
Published: November 2013

The relationship between need for cognition (NFC) and measures of both personality and intelligence was investigated. Study 1 (N = 195) addressed recent concerns over item-polarity effects in NFC scales. With these effects removed, a reworded 34-item NFC scale showed evidence of multidimensionality. Study 2 (N = 93) investigated NFC and the Big Five personality traits as well as correlates of general intelligence. The regression model accounted for 24% of the variance in intelligence scores. Results showed that NFC mediated the relationship between Openness to Experience and intelligence, and suggested that NFC might similarly mediate the relationship between Neuroticism and intelligence. Results from the two studies suggest possible benefits of conceptualizing NFC as a motivation for cognitive challenge. Limitations are considered.
Protective CD8+ T-cell immunity to human malaria induced by chimpanzee adenovirus-MVA immunisation
Authors: Ewer Katie J. , O’Hara Geraldine A. , Duncan Christopher J. A. , Collins Katharine A. , Sheehy Susanne H. , Reyes-Sandoval Arturo , Goodman Anna L. , Edwards Nick J. , Elias Sean C. , Halstead Fenella D. , Longley Rhea J. , Rowland Rosalind , Poulton Ian D. , Draper Simon J. , Blagborough Andrew M. , Berrie Eleanor , Moyle Sarah , Williams Nicola , Siani Loredana , Folgori Antonella , Colloca Stefano , Sinden Robert E. , Lawrie Alison M. , Cortese Riccardo , Gilbert Sarah C. , Nicosia Alfredo , Hill Adrian V. S.
Published: November 2013

Induction of antigen-specific CD8+ T cells offers the prospect of immunization against many infectious diseases, but no subunit vaccine has induced CD8+ T cells that correlate with efficacy in humans. Here we demonstrate that a replication-deficient chimpanzee adenovirus vector followed by a modified vaccinia virus Ankara booster induces exceptionally high frequency T-cell responses (median >2400 SFC/106 peripheral blood mononuclear cells) to the liver-stage Plasmodium falciparum malaria antigen ME-TRAP. It induces sterile protective efficacy against heterologous strain sporozoites in three vaccinees (3/14, 21%), and delays time to patency through substantial reduction of liver-stage parasite burden in five more (5/14, 36%), P=0.008 compared with controls. The frequency of monofunctional interferon-γ-producing CD8+ T cells, but not antibodies, correlates with sterile protection and delay in time to patency (Pcorrected=0.005). Vaccine-induced CD8+ T cells provide protection against human malaria, suggesting that a major limitation of previous vaccination approaches has been the insufficient magnitude of induced T cells.
Controlling chloride ions diffusion in concrete
Authors: Zeng Lunwu , Song Runxia
Published: November 2013

The corrosion of steel in concrete is mainly due to the chemical reaction between the chloride ions and iron ions. Indeed, this is a serious threaten for reinforced concrete structure, especially for the reinforced concrete structure in the sea. So it is urgent and important to protect concrete against chloride ions corrosion. In this work, we report multilayer concrete can cloak chloride ions. We formulated five kinds of concrete A, B, C, D and E, which are made of different proportion of cement, sand and glue and fabricated six-layer (ABACAD) cylinder diffusion cloak and background media E. The simulation results show that the six-layer mass diffusion cloak can protect concrete against chloride ions penetration, while the experiment results show that the concentration gradients are parallel and equal outside the outer circle in the diffusion flux lines, the iso-concentration lines are parallel outside the outer circle and the concentration gradients in the inner circle are smaller than those outside the outer circle.
Common Pharmacophore of Structurally Distinct Small-Molecule Inhibitors of Intracellular Retrograde Trafficking of Ribosome Inactivating Proteins
Authors: Yu Shichao , Park Jewn Giew , Kahn Jennifer Nielsen , Tumer Nilgun E. , Pang Yuan-Ping
Published: December 2013

We reported previously (±)-2-(5-methylthiophen-2-yl)-3-phenyl-2,3-dihydroquinazolin-4(1H)-one [(±)-Retro-2cycl] as the chemical structure of Retro-2 that showed mouse protection against ricin, a notorious ribosome inactivating protein (RIP). Herein we report our chemical resolution of (±)-Retro-2cycl, analog synthesis and cell-based evaluation showing that the two optically pure enantiomers and their achiral analog have nearly the same degree of cell protection against ricin as (±)-Retro-2cycl. We also report our computational studies explaining the lack of stereo preference and revealing a common pharmacophore of structurally distinct inhibitors of intracellular retrograde trafficking of RIPs. This pharmacophore comprises a central aromatic ring o-substituted by an aromatic ring and a moiety bearing an O or S atom attached to sp2 C atom(s). These results offer new insights into lead identification and optimization for RIP antidote development to minimize the global health threat caused by ribosome-inactivating proteins.
2-(2-(Pyren-1-yl)-1H-benzo[d]imidazol-1-yl)-ethyl-4-methyl benzenesulfonate (PBITS) and its application for determination of bile acids by HPLC-FLD-MS
Authors: Xia Lian , Wu Chuanxiang , Sun Zhiwei , You Jinmao
Published: November 2013

A method of high performance liquid chromatography-fluorescence detection-mass spectrometry identification coupled with pre-column derivatization to determine bile acids from bio-sample has been developed here.
Detection of the ovarian cancer biomarker CA-125 using chemiluminescence resonance energy transfer to graphene quantum dots
Authors: Al-Ogaidi Israa , Gou Honglei , Aguilar Zoraida P. , Guo Shouwu , Melconian Alice K. , Al-kazaz Abdul Kareem A. , Meng Fanke , Wu Nianqiang
Published: November 2013

A cancer biomarker immuno-sensor has been developed by utilizing the chemiluminescence resonance energy transfer to graphene quantum dots.
Fabrication of a COF-5 membrane on a functionalized α-Al2O3 ceramic support using a microwave irradiation method
Authors: Hao Dandan , Zhang Jinna , Lu Hui , Leng Wenguang , Ge Rile , Dai Xiaonan , Gao Yanan
Published: December 2013

A novel functionalization strategy was developed by using covalent linkers to promote the COF-5 membrane growth on the α-Al2O3 support.
Intriguing Diels–Alder products: chiral centres with an added twist
Authors: Delaney Colm , Perera Sarath D. , Máille Gearóid M. Ó. , Draper Sylvia M.
Published: December 2013

Two chiral fluoranthene-based polyaromatics were isolated from a Diels–Alder cycloaddition between two molecules of 7,9-diphenylcyclopenta[a]acenapthylene-8-one.
Nano- and micro-hexagons of bismuth on polycrystalline copper: electrodeposition and heavy metal sensing
Authors: Rajamani A. R. , Ragula Udaya Bhaskar Reddy , Kothurkar Nikhil , Rangarajan Murali
Published: November 2013

Tuning the electroreduction of NO3−vis-à-vis Bi3+ results in nano-/micro-hexagons. Nanohexagons are highly sensitive to trace detection of lead.
Solution-phase catalytic synthesis, characterization and growth kinetics of Ag2S–CdS matchstick-like heteronanostructures
Authors: Wang Junli , Feng Hui , Chen Kangmin , Fan Weiling , Yang Qing
Published: December 2013

Ag2S nanocrystals are catalytically active in the growth of CdS nanorods in oleylamine, and the reaction yields Ag2S–CdS matchstick-like heteronanostructures.
Dinuclear cobalt(ii) and cobalt(iii) complexes of bis-bidentate napthoquinone ligands
Authors: Mulyana Yanyan , Alley Kerwyn G. , Davies Kristian M. , Abrahams Brendan F. , Moubaraki Boujemaa , Murray Keith S. , Boskovic Colette
Published: November 2013

Seven dinuclear cobalt complexes with bridging bis-bidentate naphthoquinone ligands reveal the steric influence of the ancillary capping ligand on the redox potential of the cobalt centres, with metal-catalysed derivatisation of the bridging ligand also observed.
Highly efficient and stable DSSCs of wet-chemically synthesized MoS2 counter electrode
Authors: Patil Supriya A. , Kalode Pranav Y. , Mane Rajaram S. , Shinde Dipak V. , Doyoung Ahn , Keumnam Cho , Sung M. M. , Ambade Swapnil B. , Han Sung-Hwan
Published: December 2013

A power conversion efficiency of 7.01% is achieved for TiO2-based DSSCs using a chemically stable and mechanically robust MoS2 counter electrode, from a simple, scalable and low-temperature wet-chemical process.
Interface engineering in nanocarbon–Ta2O5hybrid photocatalysts
Authors: Cherevan Alexey S. , Gebhardt Paul , Shearer Cameron J. , Matsukawa Michinori , Domen Kazunari , Eder Dominik
Published: November 2013

We demonstrate a new hybrid morphology that facilitates charge transport and charge separation at the interface between the nanocarbon and the semiconductor and so greatly improves their performance in environmental and sustainable energy applications.
Synthesis and DPPH radical scavenging activity of novel compounds obtained from tyrosol and cinnamic acid derivatives
Authors: Barontini Maurizio , Bernini Roberta , Carastro Isabella , Gentili Patrizia , Romani Annalisa
Published: December 2013

Novel compounds exhibiting DPPH radical scavenging activity were synthesised. The key step was the trifluoroacetic acid-mediated hydroarylation of cinnamic ester with tyrosol.
CuI-catalyzed cycloisomerization of propargyl amides
Authors: Alhalib Ali , Moran Wesley J.
Published: December 2013

The synthesis of substituted dihydrooxazoles by the CuI-catalyzed cycloisomerization of terminal propargyl amides is reported.
N-Phthaloyltranexamic acid ammonium salt derivatives as photocaged superbase for redox free radical photopolymerization
Authors: He Minghui , Chen Guangxue , Huang Xun , Xu Ruixin , Zeng Zhaohua , Yang Jianwen
Published: December 2013

N-Phthaloyltranexamic acid ammonium salt derivatives integrating with peroxides can invoke redox photopolymerization and propagating polymerization.
Effects of edge hydrogenation on structural stability, electronic, and magnetic properties of WS2 nanoribbons
Authors: Ouyang Fangping , Ni Xiang , Yang Zhixiong , Chen Yu , Zheng Xiaojuan , Xiong Xiang
Published: December 2013

Using density functional theory based first-principles, we have investigated the structural stability, electronic, and magnetic properties of tungsten disulfide nanoribbons (WS2NRs). When the edges are bare, Zigzag-edge WS2 nanoribbons (ZWS2NRs) and Armchair-edge WS2 nanoribbons (AWS2NRs) are ferromagnetic metal and nonmagnetic semiconductor, respectively. After edge hydrogenation, WS2NRs exhibit different structural stabilities and electronic structures according the patterns of edge hydrogenation. Hydrogenated ZWS2NRs keep ferromagnetic and metallic while AWS2NRs convert from nonmagnetic to magnetic when at least one edge is partially hydrogenated. The transition of AWS2NRs is contributed to the unpaired valence electrons. With the change of nanoribbon width n, magnetic moment of edge fully hydrogenated ZWS2NRs shows nearly periodical variation, the band gap of bare AWS2NRs oscillates like three distinct families and owing to the ever-present edge effect it converges to 0.5 eV as n increases. Compared with bare AWS2NRs, edge fully hydrogenated AWS2NRs have the same scaling rule of band-gap variation when n ≤12, while the band gap oscillates up and down when n > 12 because of the more obvious edge asymmetric effect than quantum confinement effect. These findings are essential for applications of WS2NRs in nanoelectronics and spintronics.
NMR T1 relaxation time measurements and calculations with translational and rotational components for liquid electrolytes containing LiBF4 and propylene carbonate
Authors: Richardson P. M. , Voice A. M. , Ward I. M.
Published: December 2013

Longitudinal relaxation (T1) measurements of 19F, 7Li, and 1H in propylene carbonate/LiBF4 liquid electrolytes are reported. Comparison of T1 values with those for the transverse relaxation time (T2) confirm that the measurements are in the high temperature (low correlation time) limit of the T1 minimum. Using data from pulsed field gradient measurements of self-diffusion coefficients and measurements of solution viscosity measured elsewhere, it is concluded that although in general there are contributions to T1 from both translational and rotational motions. For the lithium ions, this is mainly translational, and for the fluorine ions mainly rotational.
Laser thermoelastic generation in metals above the melt threshold
Authors: Every A. G. , Utegulov Z. N. , Veres I. A.
Published: November 2013

An approach is presented for calculating thermoelastic generation of ultrasound in a metal plate exposed to nanosecond pulsed laser heating, sufficient to cause melting but not ablation. Detailed consideration is given to the spatial and temporal profiles of the laser pulse, penetration of the laser beam into the sample, the appearance and subsequent growth and then contraction of the melt pool, and the time dependent thermal conduction in the melt and surrounding solid throughout. The excitation of the ultrasound takes place during and shortly after the laser pulse and occurs predominantly within the thermal diffusion length of a micron or so beneath the surface. It is shown how, because of this, the output of the thermal simulations can be expressed as axially symmetric transient radial and normal surface force distributions. The epicentral displacement response to these force distributions is obtained by two methods, the one based on the elastodynamic Green's functions for plate geometry determined by the Cagniard generalized ray method and the other using a finite element numerical method. The two approaches are in very close agreement. Numerical simulations are reported on the epicentral displacement response of a 3.12 mm thick tungsten plate irradiated with a 4 ns pulsed laser beam with Gaussian spatial profile, at intensities below and above the melt threshold.
Flexible nuclear screening approximation to the two-electron spin–orbit coupling based on ab initio parameterization
Authors: Chalupský Jakub , Yanai Takeshi
Published: November 2013

The derivation, implementation, and validation of a new approximation to the two-electron spin–orbit coupling (SOC) terms is reported. The approximation, referred to as flexible nuclear screening spin–orbit, is based on the effective one-electron spin–orbit operator and accounts for two-electron SOC effects by screening nuclear charges. A highly flexible scheme for the nuclear screening is developed, mainly using parameterization based on ab initio atomic SOC calculations. Tabulated screening parameters are provided for contracted and primitive Gaussian-type basis functions of the ANO-RCC basis set for elements from H to Cm. The strategy for their adaptation to any other Gaussian basis set is presented and validated. A model to correct for the effect of splitting of transition metal d orbitals on their SOC matrix elements is introduced. The method is applied to a representative set of molecules, and compared to exact treatment and other approximative approaches at the same level of relativistic theory. The calculated SOC matrix elements are in very good agreement with their “exact” values; deviation below 1% is observed on average. The presented approximation is considered to be generally applicable, simple to implement, highly efficient, and accurate.
Locomotion of a flapping flexible plate
Authors: Hua Ru-Nan , Zhu Luoding , Lu Xi-Yun
Published: December 2013

The locomotion of a flapping flexible plate in a viscous incompressible stationary fluid is numerically studied by an immersed boundary-lattice Boltzmann method for the fluid and a finite element method for the plate. When the leading-edge of the flexible plate is forced to heave sinusoidally, the entire plate starts to move freely as a result of the fluid-structure interaction. Mechanisms underlying the dynamics of the plate are elucidated. Three distinct states of the plate motion are identified and can be described as forward, backward, and irregular. Which state to occur depends mainly on the heaving amplitude and the bending rigidity of the plate. In the forward motion regime, analysis of the dynamic behaviors of the flapping flexible plate indicates that a suitable degree of flexibility can improve the propulsive performance. Moreover, there exist two kinds of vortex streets in the downstream of the plate which are normal and deflected wake. Further the forward motion is compared with the flapping-based locomotion of swimming and flying animals. The results obtained in the present study are found to be consistent with the relevant observations and measurements and can provide some physical insights into the understanding of the propulsive mechanisms of swimming and flying animals.
Unusual crystallization behavior in Ga-Sb phase change alloys
Authors: Putero Magali , Coulet Marie-Vanessa , Ouled-Khachroum Toufik , Muller Christophe , Baehtz Carsten , Raoux Simone
Published: December 2013

Combined in situ X-ray scattering techniques using synchrotron radiation were applied to investigate the crystallization behavior of Sb-rich Ga-Sb alloys. Measurements of the sheet resistance during heating indicated a reduced crystallization temperature with increased Sb content, which was confirmed by in situ X-ray diffraction. The electrical contrast increased with increasing Sb content and the resistivities in both the amorphous and crystalline phases decreased. It was found that by tuning the composition between Ga:Sb = 9:91 (in at.%) and Ga:Sb = 45:55, the change in mass density upon crystallization changes from an increase in mass density which is typical for most phase change materials to a decrease in mass density. At the composition of Ga:Sb = 30:70, no mass density change is observed which should be very beneficial for phase change random access memory (PCRAM) applications where a change in mass density during cycling is assumed to cause void formation and PCRAM device failure.
Stochastic thermodynamics of fluctuating density fields: Non-equilibrium free energy differences under coarse-graining
Authors: Leonard T. , Lander B. , Seifert U. , Speck T.
Published: November 2013

We discuss the stochastic thermodynamics of systems that are described by a time-dependent density field, for example, simple liquids and colloidal suspensions. For a time-dependent change of external parameters, we show that the Jarzynski relation connecting work with the change of free energy holds if the time evolution of the density follows the Kawasaki-Dean equation. Specifically, we study the work distributions for the compression and expansion of a two-dimensional colloidal model suspension implementing a practical coarse-graining scheme of the microscopic particle positions. We demonstrate that even if coarse-grained dynamics and density functional do not match, the fluctuation relations for the work still hold albeit for a different, apparent, change of free energy.
The liquid surface of chiral ionic liquids as seen from molecular dynamics simulations combined with intrinsic analysis
Authors: Lísal Martin
Published: December 2013

We present molecular-level insight into the liquid/gas interface of two chiral room-temperature ionic liquids (RTILs) derived from 1-n-butyl-3-methylimidazolium bromide ([bmim][Br]); namely, (R)-1-butyl-3-(3-hydroxy-2-methylpropyl)imidazolium bromide (hydroxypropyl) and 1-butyl-3-[(1R)-nopyl]imidazolium bromide (nopyl). We use our currently developed force field which was validated against the experimental bulk density, heat of vaporization, and surface tension of [bmim][Br]. The force field for the RTILs adopts the Chemistry at Harvard Molecular Mechanics (CHARMM) parameters for the intramolecular and repulsion-dispersion interactions along with the reduced partial atomic charges based on ab initio calculations. The net charges of the ions are around ±0.8e, which mimic the anion to cation charge transfer and many-body effects. Molecular dynamics simulations in the slab geometry combined with the intrinsic interface analysis are employed to provide a detailed description of the RTIL/gas interface in terms of the structural and dynamic properties of the interfacial, sub-interfacial, and central layers at a temperature of 300 K. The focus is on the comparison of the liquid/gas interface for the chiral RTILs with the interface for parent [bmim][Br]. The structure of the interface is elucidated by evaluating the surface roughness, intrinsic atomic density profiles, and orientation ordering of the cations. The dynamics of the ions at the interfacial region is characterized by computing the survival probability, and normal and lateral self-diffusion coefficients in the layers.
Inverse compensation for hysteresis in piezoelectric actuator using an asymmetric rate-dependent model
Authors: Li Wei , Chen Xuedong , Li Zilong
Published: November 2013

This paper presents a modified Bouc-Wen model for asymmetric rate-dependent hysteresis in piezoelectric actuator. On this basis, we develop a new digital inverse controller with a simple structure cascaded in the feedforward path for piezoelectric actuator. In order to eliminate modeling errors and parameter uncertainties, the developed inverse controller is combined with a feedback loop to establish a hybrid control scheme. In our experiments, the proposed model together with the developed hybrid control scheme has shown significantly reduced tracking errors caused by asymmetric rate-dependent hysteresis in piezoelectric actuator.
Anomalous temperature dependence of the vibrational lifetime of the OD stretch vibration in ice and liquid water
Authors: Smit W. J. , Bakker H. J.
Published: November 2013

The temperature dependence of the vibrational T1 lifetime of the OD stretch vibration of HDO in H2O ice was measured with femtosecond mid-IR pump-probe spectroscopy. We found an increase of T1 from 480 ± 40 fs at 25 K to 860 ± 60 fs at 265 K. These lifetimes are remarkably shorter than the vibrational lifetime of the OD stretch vibration of HDO in H2O in the liquid phase, which has a value of 1.7 ± 0.1 ps at 274 K and increases to 2.24 ± 0.09 at 343 K. The observed temperature dependence of T1 can be well explained from a relaxation mechanism in which the OD vibration relaxes via energy transfer to the bend–libration combination tones of H2O and HDO.
Multiple (eight) plasma bullets in helium atmospheric pressure plasma jet and the role of nitrogen
Authors: Park Sanghoo , Youn Moon Se , Choe Wonho
Published: November 2013

As many as eight multiple plasma bullets produced at atmospheric pressure were observed in one voltage period in a capillary helium dielectric barrier plasma jet. We found that the number of the bullets strongly depends on the nitrogen fraction added to the helium supply gas. Using optical emission spectroscopy and ionization rate calculation, this study demonstrates that nitrogen gas plays an important role in the generation and dynamics of multiple plasma bullets through Penning ionization of nitrogen by helium metastables.
Standing waves for coupled nonlinear Schrödinger equations with decaying potentials
Authors: Chen Zhijie , Zou Wenming
Published: November 2013

We study the following singularly perturbed problem for a coupled nonlinear Schrödinger system which arises in Bose-Einstein condensate: −ε2Δu + a(x)u = μ1u3 + βuv2 and −ε2Δv + b(x)v = μ2v3 + βu2v in \documentclass[12pt]{minimal}\begin{document}$\mathbb {R}^3$\end{document}R3 with u, v > 0 and u(x), v(x) → 0 as |x| → ∞. Here, a, b are non-negative continuous potentials, and μ1, μ2 > 0. We consider the case where the coupling constant β > 0 is relatively large. Then for sufficiently small ɛ > 0, we obtain positive solutions of this system which concentrate around local minima of the potentials as ɛ → 0. The novelty is that the potentials a and b may vanish at someplace and decay to 0 at infinity.
Influence of electric field penetration by a three-electrode beam extraction system on hydrogen negative ion source plasma
Authors: Matsumoto Y. , Nishiura M. , Yamaoka H. , Sasao M. , Wada M.
Published: December 2013

We study influence of electric field penetration into H− ion source plasma with three-electrode beam extraction system. Clear change in the plasma potential due to the field penetration is observed in case of low gap voltage between a plasma electrode and an extraction electrode. Influence of lens voltage on the second electrode, which is normally utilized to focus the extracted beam, on ion source plasma is evaluated separating contributions of H− density in the plasma and extraction probability of H− ions from the plasma by two kinds of photodetachment techniques. In our operation condition, we found that the lens voltage is also useful to enhance the H− density in the plasma, though it negatively affects the extraction probability.
Capacitive coupling model and extraction of the molecular interface states in porphyrin-silicon nanowire hybrid field-effect transistor
Authors: Nam I. , Hong B. , Kim M. , Shin J. , Song I. , Kim D. M. , Hwang S. , Kim S.
Published: December 2013

We modeled and extracted the distribution of interface trap density by grafted molecules on the surface of a silicon nanowire field-effect transistor (SNWFET). The subthreshold current model was employed, and the capacitive coupling model of ideality factor was simplified, using a fully depleted SNWFET. We applied the analytical model to p-channel SNWFET with porphyrin, and extracted the distribution of the molecular interface states. There were 748 and 474 traps (average value) in length (L) = 300 nm and L = 500 nm devices, respectively. The trap energy was in the range of 0.27–0.35 eV.
On the effect of intermittency of turbulence on the parabolic relation between skewness and kurtosis in magnetized plasmas
Authors: Guszejnov Dávid , Lazányi Nóra , Bencze Attila , Zoletnik Sándor
Published: November 2013

This paper is aimed to contribute to the scientific discussions that have been triggered by the experimental observation of a quadratic relation between the kurtosis and skewness of turbulent fluctuations present in fusion plasmas and other nonlinear physical systems. In this paper, we offer a general statistical model which attributes the observed K=aS2+b relation to the varying intermittency of the experimental signals. The model is a two random variable model constructed to catch the essential intermittent feature of the real signal. One of the variables is the amplitude of the underlying intermittent event (e.g., turbulent structure) while the other is connected to the intermittency level of the system. This simple model can attribute physical meaning to the a and b coefficients, as they characterize the spatio-temporal statistics of intermittent events. By constructing a particle-conserving Gaussian model for the underlying coherent structures, the experimentally measured a and b coefficients could be adequately reproduced.
Optical spectroscopy of ZnSiF6·6H2O:Mn4+ red phosphor
Authors: Hoshino Ryosuke , Adachi Sadao
Published: December 2013

We report on a method of synthesizing Mn4+-activated ZnSiF6·6H2O hydrate phosphor by the chemical reaction in a Teflon beaker. The structural and optical properties of ZnSiF6·6H2O:Mn4+ are investigated using x-ray diffraction measurement, photoluminescence (PL) analysis, PL excitation spectroscopy, diffuse reflectance measurement, and Raman scattering spectroscopy. The synthesized phosphor exhibits a series of sharp red emission peaks at ∼630 nm, which is characteristic for Mn4+ ions. The luminescent study is focused on the thermal quenching phenomenon above ∼300 K and is found to be caused by thermal decomposition of the ZnSiF6·6H2O host. Degradation in the PL intensity under near-UV light illumination has also been observed to occur in this phosphor.
Multilayer mirror with enhanced spectral selectivity for the next generation extreme ultraviolet lithography
Authors: Medvedev V. V. , van de Kruijs R. W. E. , Yakshin A. E. , Novikova N. N. , Krivtsun V. M. , Louis E. , Yakunin A. M. , Bijkerk F.
Published: November 2013

We have demonstrated a hybrid extreme ultraviolet (EUV) multilayer mirror for 6.x nm radiation that provides selective suppression for infrared (IR) radiation. The mirror consists of an IR-transparent LaN∕B multilayer stack which is used as EUV-reflective coating and antireflective (AR) coating to suppress IR. The AR coating can be optimized to suppress CO2 laser radiation at the wavelength of 10.6 μm, which is of interest for application in next-generation EUV lithography systems.
Reconfigurable liquid metal based terahertz metamaterials via selective erasure and refilling to the unit cell level
Authors: Wang Jinqi , Liu Shuchang , Guruswamy Sivaraman , Nahata Ajay
Published: November 2013

We demonstrate a technique for selectively erasing and refilling unit cells of terahertz (THz) metamaterials. The structures are formed by injecting eutectic gallium indium (EGaIn), a liquid metal at room temperature, into microchannels within a polydimethylsiloxane (PDMS) mold fabricated using conventional soft lithography techniques. The thin oxide layer that forms on the surface of EGaIn can be locally dissolved via exposure to hydrochloric acid (HCl) introduced at the surface of the gas permeable PDMS mold. In the absence of the oxide skin, the liquid metal retracts to a position where a stable new oxide layer can be formed, effectively erasing the liquid metal structure in the presence of HCl. After erasing selected structures, EGaIn can be re-injected into microchannels to yield the initial structure. In the case of small unit cells, we show that mechanical pressure can be used to effectively erase individual elements. We use THz time-domain spectroscopy to characterize the distinct transmission properties for each of these different structures.