bluuebunny/crossref_metadata_2025 huggingface dataset:
Comparison of the performance and stability of two torsional vibration dampers for variable‐speed wind turbines
Authors: Licari John , Ugalde‐Loo Carlos E. , Ekanayake Janaka B. , Jenkins Nick
Published: June 2014

Alleviation of excess fatigue loads due to vibrations in the drive‐train of wind turbines can be achieved through the use of torsional vibration dampers. Two torsional dampers based on different design approaches were designed and assessed: the first employs a conventional band‐pass filter technique, whereas the second involves an alternative model‐based approach. Frequency domain analyses were carried out on the system with the two dampers for the cases with and without model uncertainty. The system using the band‐pass filter‐based damper showed deterioration in stability and performance when subjected to uncertainty in the model and had to be re‐tuned to recover a good damping performance. Conversely, the system employing the model‐based damper maintained good stability and superior damping performance in the presence of model uncertainties. These attributes can ensure that the damper exhibits a good performance even if the wind turbine parameters vary during operation, such as when ice forms on the blades. Time domain simulations were carried out to verify the frequency domain analyses. © 2014 The Authors. Wind Energy published by John Wiley & Sons, Ltd.
The 100S ribosome: ribosomal hibernation induced by stress
Authors: Yoshida Hideji , Wada Akira
Published: June 2014

One of the most important cellular events in all organisms is protein synthesis (translation), which is catalyzed by ribosomes. The regulation of translational activity is dependent on the environmental situation of the cell. A decrease in overall translation under stress conditions is mainly accompanied by the formation of functionally inactive 100S ribosomes in bacteria. The 100S ribosome is a dimer of two 70S ribosomes that is formed through interactions between their 30S subunits. Two mechanisms of 100S ribosome formation are known: one involving ribosome modulation factor (RMF) and short hibernation promoting factor (HPF) in a part of Gammaproteobacteria including Escherichia coli, and the other involving only long HPF in the majority of bacteria. The expression of RMF is regulated by ppGpp and cyclic AMP‐cAMP receptor protein (cAMP‐CRP) induced by amino acid starvation and glucose depletion, respectively. When stress conditions are removed, the 100S ribosome immediately dissociates into the active 70S ribosomes by releasing RMF. The stage in the ribosome cycle at which the ribosome loses translational activity is referred to as ‘Hibernation’. The lifetime of cells that cannot form 100S ribosomes by deletion of the rmf gene is shorter than that of parental cells under stress conditions in E. coli. This fact indicates that the interconversion system between active 70S ribosomes and inactive 100S ribosomes is an important survival strategy for bacteria. WIREs RNA 2014, 5:723–732. doi: 10.1002/wrna.1242

This article is categorized under:

Translation > Ribosome Structure/Function
Crystallin αB acts as a molecular guard in mouse decidualization: Regulation and function during early pregnancy
Authors: Zuo Ru-Juan , Zhao Yue-Chao , Lei Wei , Wang Tong-Song , Wang Bao-Cheng , Yang Zeng-Ming
Published: June 2014

Although decidualization is crucial for the establishment of successful pregnancy, the molecular mechanism underlying decidualization remains poorly understood. Crystallin αB (CryAB), a small heat shock protein (sHSP), is up‐regulated and phosphorylated in mouse decidua. In mouse primary endometrial stromal cells, CryAB is induced upon progesterone treatment via HIF1α. In addition, CryAB is strongly phosphorylated through the p38‐MAPK pathway under stress or during in vitro decidualization. Knockdown of CryAB results in the increase of apoptosis of stromal cells and inhibits decidualization under oxidative or inflammatory stress. Our data indicate that CryAB protects decidualization against stress conditions.
The quiescent core of turbulent channel flow
Authors: Kwon Y. S. , Philip J. , de Silva C. M. , Hutchins N. , Monty J. P.
Published: June 2014

The identification of uniform momentum zones in wall-turbulence, introduced by Adrian, Meinhart & Tomkins (J. Fluid Mech., vol. 422, 2000, pp. 1–54) has been applied to turbulent channel flow, revealing a large ‘core’ region having high and uniform velocity magnitude. Examination of the core reveals that it is a region of relatively weak turbulence levels. For channel flow in the range $\def \xmlpi #1{}\def \mathsfbi #1{\boldsymbol {\mathsf {#1}}}\let \le =\leqslant \let \leq =\leqslant \let \ge =\geqslant \let \geq =\geqslant \def \Pr {\mathit {Pr}}\def \Fr {\mathit {Fr}}\def \Rey {\mathit {Re}}Re_{\tau } = 1000\text {--}4000$, it was found that the ‘core’ is identifiable by regions bounded by the continuous isocontour lines of the streamwise velocity at $0.95U_{CL}$ (95 % of the centreline velocity). A detailed investigation into the properties of the core has revealed it has a large-scale oscillation which is predominantly anti-symmetric with respect to the channel centreline as it moves through the channel, and there is a distinct jump in turbulence statistics as the core boundary is crossed. It is concluded that the edge of the core demarcates a shear layer of relatively intense vorticity such that the interior of the core contains weakly varying, very low-level turbulence (relative to the flow closer to the wall). Although channel flows are generally referred to as ‘fully turbulent’, these findings suggest there exists a relatively large and ‘quiescent’ core region with a boundary qualitatively similar to the turbulent/non-turbulent interface of boundary layers, jets and wakes.
Discussion of ‘Silicified serpentinite – a residuum of a Tertiary palaeo-weathering surface in the United Arab Emirates’
Authors: Lacinska A. M. , Styles M. T.
Published: June 2014

Alicja M. Lacinska and Michael T. Styles reply: We appreciate the comment by C. R. M. Butt on the publication by Lacinska & Styles (2013) on the silicified serpentinites described from the Hajar Mountains in the United Arab Emirates. This comment is based on his very extensive knowledge of laterites and regoliths from ancient shield areas around the world; the degree to which this knowledge is directly applicable to the rocks formed at the margins of a recently uplifted mountain range, as described in the original paper, is debatable.
Who Gets to Be In the Room? Manipulating Participation in WTO Disputes
Authors: Johns Leslie , Pelc Krzysztof J.
Published: June 2014

Third parties complicate World Trade Organization (WTO) dispute settlement by adding voices and issues to a dispute. However, complainants can limit third parties by filing cases under Article XXIII of the General Agreement on Tariffs and Trade (GATT), rather than Article XXII. We argue that third parties create “insurance” by lowering the benefit of winning and the cost of losing a dispute. We construct a formal model in which third parties make settlement less likely. The weaker the complainant's case, the more likely the complainant is to promote third party participation and to settle. Article XXII cases are therefore more likely to settle, controlling for the realized number of third parties, and a complainant who files under Article XXIII is more likely to win a ruling and less likely to see that ruling appealed by the defendant. We provide empirical support using WTO disputes from 1995 to 2011.
The origin of yes–no question particles in the Niuean language
Authors: STARKS DONNA , MASSAM DIANE
Published: June 2014

This paper considers data from Niuean, a Polynesian language with VSO word order and an extensive range of grammatical particles. We focus on three question particles,nakai, kaandkia, examining their possible historical origins. In related languages the preferred means of forming a yes–no question is by intonation alone, while in the Polynesian languages that have yes–no question particles, the forms are lexically distinct from those found in Niuean. We argue that the Niuean unmarked question particlenakaiis derived from the negative, the pragmatically markedkiaconstruction from the polite form of the imperative, and thekaconstruction from a lexical item which signals confirmation. In all three cases, the question particles do not replace their original grammatical or lexical source words but rather co-exist with them in new contexts. The three question particles have all undergone a process of semantic bleaching, increased syntactic bonding, and in some cases, phonetic reduction. While two of the processes have occurred early in Niuean, one is a very recent development.
In line or at odds with active ageing policies? Exploring patterns of retirement preferences in Europe
Authors: HOFÄCKER DIRK
Published: June 2014

Faced with demographic ageing, European policy makers since the mid-1990s have taken a turn from fostering early retirement to promoting longer working life by reducing early exit incentives and facilitating work continuation. However, it remains open whether these reforms are yet reflected in the retirement plans and preferences of future pensioners’ cohorts. Using most recent data on desired retirement ages from the fifth wave of the European Social Survey (2010/11 wave), this paper empirically investigates how far current policy reforms are in line with the retirement age preferences of older workers aged 45 and over. Results show that older workers approaching retirement ages still intend to retire before the politically envisioned age of 65, and in many cases also before nationally defined standard retirement ages. Despite visible progress in implementing active ageing measures, the challenge of motivating older workers to continue working until or even beyond retirement ages thus remains. At the same time, there are regime-specific problem groups that face difficulties in adjusting to the active ageing paradigm of longer working life. Especially in countries with little employment support, those with unstable work careers, employment interruptions and few financial resources are at a high risk of being crowded out from late career employment and thus from the possibility of ensuring a decent standard of living in old age.
Ross on Self and Others
Authors: SHAVER ROBERT
Published: June 2014

Ross suggests a trilemma:

(i)

Innocent pleasure is good as an end.

(ii)

I have a prima facie duty to produce what is good as an end.

(iii)

I have no prima facie duty to produce innocent pleasure for myself.

InThe Right and the Good, he denies (iii). InFoundations of Ethics, he denies (i). Neither of these solutions is satisfactory. One ought instead to deny (ii). I close by considering a similar trilemma concerning justice.
Predicting use of ineffective vegetable parenting practices with the Model of Goal Directed Behavior
Authors: Baranowski Tom , Beltran Alicia , Chen Tzu-An , Thompson Debbe , O’Connor Teresia , Hughes Sheryl , Diep Cassandra , Baranowski Janice C
Published: June 2014

Objective

Increasing a parent’s ability to influence a child’s vegetable intake may require reducing the parent’s use of ineffective vegetable parenting practices. The present study was designed to understand the psychosocial influences on ineffective vegetable parenting practices.

Design

A cross-sectional web-based survey was conducted to model use of ineffective vegetable parenting practices using validated scales from a Model of Goal Directed Vegetable Parenting Practices.

Setting

The dependent variable was a composite ineffective vegetable parenting practices index. The independent variables included validated subscales of intention, habit, perceived barriers, desire, competence, autonomy, relatedness, attitudes, norms, perceived behavioural control and anticipated emotions. Models were analysed using block regression with backward deletion.

Subjects

Parents of 307 pre-school children (3–5 years old).

Results

Variables significantly positively related to ineffective vegetable parenting practices in order of relationship strength included habit of controlling vegetable practices (standardized β=0·349, P<0·0001) and desire (standardized β=0·117, P=0·025). Variables significantly negatively related to ineffective vegetable parenting practices in order of relationship strength included perceived behavioural control of negative parenting practices (standardized β=–0·215, P<0000), the habit of active child involvement in vegetable selection (standardized β=–0·142, P=0·008), anticipated negative parent emotional response to child vegetable refusal (standardized β=–0·133, P=0·009), autonomy (standardized β=–0·118, P=0.014), attitude about negative effects of vegetables (standardized β=–0·118, P=0·015) and descriptive norms (standardized β=–0·103, P=0·032). The model accounted for 40·5 % of the variance in use of ineffective vegetable parenting practices.

Conclusions

The present study is the first report of psychometrically tested scales to predict use of ineffective vegetable parenting practices. Innovative intervention procedures will need to be designed and tested to reduce ineffective vegetable parenting practices.
The proof is in the eating: subjective peer norms are associated with adolescents’ eating behaviour
Authors: Stok F Marijn , de Vet Emely , de Wit John BF , Luszczynska Aleksandra , Safron Magdalena , de Ridder Denise TD
Published: June 2014

Objective

To investigate associations of self-perceived eating-related peer norms (called ‘subjective peer norms’) with adolescents’ healthy eating intentions and intake of healthy and unhealthy food.

Design

Cross-sectional data were collected in a large international survey.

Setting

Two types of subjective peer norms were assessed: perceived peer encouragement of healthy eating and perceived peer discouragement of unhealthy eating. Outcome variables were healthy eating intentions, intake of healthy food (fruits and vegetables) and intake of unhealthy food (snacks and soft drinks).

Subjects

Over 2500 European (pre-)adolescents aged between 10 and 17 years participated.

Results

Subjective peer norms were associated with all three outcome variables. While both perceived encouragement of healthy eating and perceived discouragement of unhealthy eating were related to intentions, only peer encouragement of healthy eating was related to intakes of both healthy and unhealthy food.

Conclusions

Subjective peer norms play a role in adolescent eating behaviour and as such are an important target for health promotion. Addressing norms that encourage healthy eating may be more promising in changing behaviour than norms that discourage unhealthy eating.
Sovereignty and sovereign power
Authors: Chowdhury Arjun , Duvall Raymond
Published: June 2014

Can the dissolution or transgression of sovereign authority – ‘failed states’, for example – be understood within a concept of sovereignty? Extant understandings provide a negative answer; approaches to sovereignty in International Relations and Political Theory conceptualize sovereignty as located in stable entities, generally states. Insofar as political societies face crises of authority, those crises arise from exogenous factors, not the structure of sovereignty. We argue that this is a restrictive notion of sovereignty. In its place, we offer a theorization that can account for the dissolution or transgression of sovereign orders, focusing on the possibility that sovereigns may not recognize their subjects as the originary structure of sovereignty. In our understanding, sovereignty is logically and temporally before sovereign power. Consequently, the possibility of dissolution is a structural condition of all sovereign orders. This enables us to theorize the relationship between sovereignty, sovereign power, and the law, and to apply this broader concept to analyze politics in ‘weak’ and ‘failed states’.
Circadian and Homeostatic Modulation of Functional Connectivity and Regional Cerebral Blood Flow in Humans under Normal Entrained Conditions
Authors: Hodkinson Duncan J , O'Daly Owen , Zunszain Patricia A , Pariante Carmine M , Lazurenko Vitaly , Zelaya Fernando O , Howard Matthew A , Williams Steven CR
Published: June 2014

Diurnal rhythms have been observed in human behaviors as diverse as sleep, olfaction, and learning. Despite its potential impact, time of day is rarely considered when brain responses are studied by neuroimaging techniques. To address this issue, we explicitly examined the effects of circadian and homeostatic regulation on functional connectivity (FC) and regional cerebral blood flow (rCBF) in healthy human volunteers, using whole-brain resting-state functional magnetic resonance imaging (rs-fMRI) and arterial spin labeling (ASL). In common with many circadian studies, we collected salivary cortisol to represent the normal circadian activity and functioning of the hypothalamic–pituitary–adrenal (HPA) axis. Intriguingly, the changes in FC and rCBF we observed indicated fundamental decreases in the functional integration of the default mode network (DMN) moving from morning to afternoon. Within the anterior cingulate cortex (ACC), our results indicate that morning cortisol levels are negatively correlated with rCBF. We hypothesize that the homeostatic mechanisms of the HPA axis has a role in modulating the functional integrity of the DMN (specifically, the ACC), and for the purposes of using fMRI as a tool to measure changes in disease processes or in response to treatment, we demonstrate that time of the day is important when interpreting resting-state data.
Impaired Brain Energy Metabolism in the BACHD Mouse Model of Huntington's Disease: Critical Role of Astrocyte–Neuron Interactions
Authors: Boussicault Lydie , Hérard Anne-Sophie , Calingasan Noel , Petit Fanny , Malgorn Carole , Merienne Nicolas , Jan Caroline , Gaillard Marie-Claude , Lerchundi Rodrigo , Barros Luis F , Escartin Carole , Delzescaux Thierry , Mariani Jean , Hantraye Philippe , Beal M Flint , Brouillet Emmanuel , Véga Céline , Bonvento Gilles
Published: June 2014

Huntington's disease (HD) is caused by cytosine-adenine-guanine (CAG) repeat expansions in the huntingtin (Htt) gene. Although early energy metabolic alterations in HD are likely to contribute to later neurodegenerative processes, the cellular and molecular mechanisms responsible for these metabolic alterations are not well characterized. Using the BACHD mice that express the full-length mutant huntingtin (mHtt) protein with 97 glutamine repeats, we first demonstrated localized in vivo changes in brain glucose use reminiscent of what is observed in premanifest HD carriers. Using biochemical, molecular, and functional analyses on different primary cell culture models from BACHD mice, we observed that mHtt does not directly affect metabolic activity in a cell autonomous manner. However, coculture of neurons with astrocytes from wild-type or BACHD mice identified mutant astrocytes as a source of adverse non-cell autonomous effects on neuron energy metabolism possibly by increasing oxidative stress. These results suggest that astrocyte-to-neuron signaling is involved in early energy metabolic alterations in HD.
Glassy states and super-relaxation in populations of coupled phase oscillators
Authors: Iatsenko D. , McClintock P.V.E. , Stefanovska A.
Published: June 2014

Large networks of coupled oscillators appear in many branches of science, so that the kinds of phenomena they exhibit are not only of intrinsic interest but also of very wide importance. In 1975, Kuramoto proposed an analytically tractable model to describe these systems, which has since been successfully applied in many contexts and remains a subject of intensive research. Some related problems, however, remain unclarified for decades, such as the existence and properties of the oscillator glass state. Here we present a detailed analysis of a very general form of the Kuramoto model. In particular, we find the conditions when it can exhibit glassy behaviour, which represents a kind of synchronous disorder in the present case. Furthermore, we discover a new and intriguing phenomenon that we refer to as super-relaxation where the oscillators feel no interaction at all while relaxing to incoherence. Our findings offer the possibility of creating glassy states and observing super-relaxation in real systems.
DNA Particles
Authors: Carmen Morán M.
Published: June 2014

Nanoparticle technology is being incorporated into many areas of molecular science and biomedicine. Because nanoparticles are small enough to enter almost all areas of the body, including the circulatory system and cells, they have been and continue to be exploited for basic biomedical research and in clinical diagnostic and therapeutic applications. For example, nanoparticles hold great promise for enabling gene therapy to reach its full potential by facilitating targeted delivery of DNA into tissues and cells. Substantial progress has been made in binding DNA to nanoparticles or encapsulating DNA in and controlling the behavior of these complexes. In this chapter, recent advances in the major colloidal delivery carriers are reviewed. The structure/synthesis, biological properties and cellular transfection capabilities of the different colloidal systems are discussed.
Bicellar Systems: Characterization and Skin Applications
Authors: Rodríguez Gelen , Barbosa-Barros Lucyanna , Cócera Mercedes , Rubio Laia , López-Iglesias Carmen , de la Maza Alfons , López Olga
Published: June 2014

Bicellar systems are lipid nanostructures formed by long- and short-chain phospholipids dispersed in aqueous solution. The morphological transitions of bicellar aggregates due to temperature, composition and time variations have been revised in this work. To this end, two bicellar systems were considered, one formed by dimyristoylphosphatidylcholine (DMPC) and dihexanoylphosphatidylcholine (DHPC) and the other formed by dipalmitoylphosphatidylcholine (DPPC) and DHPC. The relationship between the magnetic alignment, the morphology of the aggregates and the phase transition temperature (Tm) of lipids is discussed. In general terms, the non-alignable samples present rounded objects at temperature below Tm. Above this temperature, an increase in viscosity is followed by the formation of large elongated aggregates. Alignable samples presented discoidal objects below Tm. The best alignment was achieved above this temperature with large areas of lamellar stacked bilayers and some multilamellar vesicles. Bicelles represent a unique versatile structure that has different effects on the skin depending on the self-assembly adopted. The application of bicelles to the skin modifies its biophysical parameters without affecting stratum corneum (SC) lipid microstructure or promoting irritation. The penetration and growth of DPPC–DHPC bicelles inside the SC opens up new avenues for the treatment of these systems. Bicelles are an effective skin carrier owing to their size, structure, and composition. Although bicelles have no aqueous internal compartment for encapsulating drugs, their bilayered structure allows for the encapsulation of lipophilic and amphiphilic compounds. Because of their ability to increase the permeability of the SC, these structures enhance the penetration of hydrophilic components dissolved in aqueous medium. Further, the conversion of bicelles into vesicles inside the SC hinders their migration outside the tissue and allows a lipid reinforcement effect on the skin. This property could be very useful for enhancing the effects of specific compounds carried by bicelles into the SC layers. By modulating their physical and chemical characteristics, bicelles may be useful for a wide range of applications.
Computer Simulations of Soft Nanoparticles and Their Interactions with DNA-Like Polyelectrolytes
Authors: Stoll Serge
Published: June 2014

First, some of the computational methods that are used and have been developed to model the structure of individual nanoparticles, systems containing nanoparticles and nanoparticle interactions with their surroundings are discussed by describing both their theoretical basis and their advantages and disadvantages. This is followed by the presentation of one computer simulation technique; coarse grain Monte Carlo simulation. As a prototypical system, the problem of the interaction of polyelectrolyte chains with oppositely charged nanoparticles is considered, different situations are discussed and an attempt is made to isolate the potential influence of experimental parameters.
Highly efficient turn-on fluorescence detection of zinc(ii) based on multi-ligand metal chelation
Authors: Sun Jian , Yu Tao , Yu Huan , Sun Mingtai , Li Huihui , Zhang Zhongping , Jiang Hui , Wang Suhua
Published: June 2014

A binding mechanism between receptor PPI and Zn(ii) has been proposed. The method allows a simple and effective way for visual Zn(ii) detection in the environment.
Rapid fluorescence spectroscopic screening method for the sensitive detection of thiabendazole in red wine
Authors: Zhong Xiu-Di , Fu Dong-Sai , Wu Ping-Ping , Liu Qian , Lin Guo-Chun , Cao Shuo-Hui , Li Yao-Qun
Published: June 2014

This method (d) has the advantage of improving spectral resolution and measurement sensitivity, as well as eliminating the interference of spectral background from red wine, compared with UV-Vis absorption spectroscopy (a) and conventional fluorescence spectroscopy (b).
Two-dimensional supramolecular spring: coordination driven reversible extension and contraction of bridged half rings
Authors: Luo Dapeng , Zhang Xuemei , Shen Yongtao , Xu Jing , Shu Lijin , Zeng Qingdao , Wang Chen
Published: June 2014

A tetraethylene glycol ether bridged derivative 9 has been designed and synthesized, and its two-dimensional (2D) self-assembled behavior has been investigated at the single-molecule level.
Discrete and encapsulated molecular grids: homometallic Mn15 and heterometallic Mn24Ni2 aggregates
Authors: Charalambous Maria , Zartilas Sotiris M. , Moushi Eleni E. , Papatriantafyllopoulou Constantina , Manos Manolis J. , Stamatatos Theocharis C. , Mukherjee Shreya , Nastopoulos Vassilios , Christou George , Tasiopoulos Anastasios J.
Published: June 2014

Mn15 and Mn24Ni2 grid-like clusters are reported; the first one is a discrete [3 × 5] grid and the second a [3 × 4] grid within a MnIII12Ni2 loop.
Nanoassemblies driven by cyclodextrin-based inclusion complexation
Authors: Kang Yang , Guo Kun , Li Bang-Jing , Zhang Sheng
Published: June 2014

Nanoassemblies driven by cyclodextrin-based inclusion complexation as functional nanomaterials.
Electrochemiluminescence imaging of latent fingermarks through the immunodetection of secretions in human perspiration
Authors: Xu Linru , Zhou Zhenyu , Zhang Congzhe , He Yayun , Su Bin
Published: June 2014

The combined use of electrochemiluminescence imaging and enzyme immunoassay allows both identification of latent fingermarks and recognition of protein/polypeptide secretions.
High performance batteries based on hybrid magnesium and lithium chemistry
Authors: Cheng Yingwen , Shao Yuyan , Zhang Ji-Guang , Sprenkle Vincent L. , Liu Jun , Li Guosheng
Published: June 2014

This work studied hybrid batteries assembled with a Mg metal anode, a Li+ ion intercalation cathode and a dual-salt electrolyte containing Mg2+ and Li+ ions.
Platinum and indium sulfide-modified CuInS2as efficient photocathodes for photoelectrochemical water splitting
Authors: Gunawan Gunawan , Septina Wilman , Ikeda Shigeru , Harada Takashi , Minegishi Tsutomu , Domen Kazunari , Matsumura Michio
Published: June 2014

A highly efficient CuInS2-based photocathode for water reduction with a maximum applied bias photon-to-current efficiency ofca.2% was prepared by using a novel In2S3surface modifier.
High performance gas adsorption and separation of natural gas in two microporous metal–organic frameworks with ternary building units
Authors: Wang Dongmei , Zhao Tingting , Cao Yu , Yao Shuo , Li Guanghua , Huo Qisheng , Liu Yunling
Published: June 2014

Two MMOFs were assembled by the ternary SBU strategy and exhibited high adsorption selectivity for CO2, C2H6 and C3H8 over CH4.
Thermal and photochemical control of nitro–nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]
Authors: Hatcher Lauren E. , Bigos Edward J. , Bryant Mathew J. , MacCready Emily M. , Robinson Thomas P. , Saunders Lucy K. , Thomas Lynne H. , Beavers Christine M. , Teat Simon J. , Christensen Jeppe , Raithby Paul R.
Published: June 2014

[Ni(medpt)(NO2)(η2-ONO)] displays an equilibrium between the η1-NO2and the η1-ONO linkage isomers between 150–298 K; upon photoactivation at 100 K the percentage of the η1-ONO isomer increases.
Controllable growth of novel BiPO4 dendrites by an innovative approach and high energy facets-dependent photocatalytic activity
Authors: Zhang Qiuying , Tian Hao , Li Na , Chen Mindong , Teng Fei
Published: June 2014

Two new monoclinic BiPO4 nanodendrites were for the first time hydrothermally synthesized in the presence of ethylenediamine-tetraacetic acid.
The relationship between interfacial bonding and radiation damage in adsorbed DNA
Authors: Rosenberg R. A. , Symonds J. M. , Vijayalakshmi K. , Mishra Debabrata , Orlando T. M. , Naaman R.
Published: June 2014

Illustration showing that secondary electrons have a higher damage probability for thiolated DNA as opposed to unthiolated DNA, due to the former's higher density of LUMO states, which leads to more efficient capture of the low energy electrons.
On the ring-opening of substituted cyclobutene to benzocyclobutene: analysis of π delocalization, hyperconjugation, and ring strain
Authors: Nava Paola , Carissan Yannick
Published: June 2014

Strain, π delocalization, aromaticity, hyperconjugation, substituents: each ingredient has an energetic impact on the ring-opening of cyclobutene systems.
Quasi-perpetual discharge behaviour in p-type Ge–air batteries
Authors: Ocon Joey D. , Kim Jin Won , Abrenica Graniel Harne A. , Lee Jae Kwang , Lee Jaeyoung
Published: June 2014

A semiconductor–air battery, powered by a flat p-type Ge anode, exhibits an unprecedented full discharge energy capacity and anode utilization efficiency relative to commercial metal–air batteries, and new metal–air batteries using 3D, nanostructured, and porous metal anodes.
The role of carbonaceous deposits in the activity and stability of Ni-based catalysts applied in the dry reforming of methane
Authors: Düdder Hendrik , Kähler Kevin , Krause Bastian , Mette Katharina , Kühl Stefanie , Behrens Malte , Scherer Viktor , Muhler Martin
Published: June 2014

Highly stable Ni catalysts with varying Ni contents up to 50 mol% originating from hydrotalcite-like precursors were applied in the dry reforming of methane at 800 and 900 °C.
Gas-phase perspective on the thermodynamics and kinetics of heterogeneous catalysis
Authors: Armentrout P. B.
Published: June 2014

Gas-phase studies of small transition metal cluster cations provide thermochemistry of utility to surface science and heterogeneous catalysis.
A comment on the article on EPR in silver–alanine nanocomposites for radiation detection by Guidelli et al. in Nanoscale, 4, 2012
Authors: Ciesielski Bartlomiej
Published: June 2014

This comment refers to possibility of increasing the radiation sensitivity of alanine EPR dosimeters by introduction of silver nanoparticles.
Anhydrous proton motion study by solid state NMR spectroscopy in novel PEMFC blend membranes composed of fluorinated copolymer bearing 1,2,4-triazole functional groups and sPEEK
Authors: Campagne Benjamin , Silly Gilles , David Ghislain , Améduri Bruno , Jones Deborah J. , Rozière Jacques , Roche Ivan
Published: June 2014

The proton mobility in a new family of PEMFC blend membranes containing 1,2,4-triazole groups is studied by infrared and solid state NMR spectroscopies.
Cross-coupling reactions catalyzed by an N-heterocyclic carbene–Pd(ii) complex under aerobic and CuI-free conditions
Authors: Lu Hongfei , Wang Lin , Yang Feifei , Wu Runze , Shen Wei
Published: June 2014

The catalytic reactions proceed with good yields with a low catalyst loading (1 mol%) under aerobic and CuI-free conditions for Sonogashira and Heck reactions.
Incorporating Ce3+ into a high efficiency phosphor Ca2PO4Cl:Eu2+ and its luminescent properties
Authors: Li Panlai , Wang Zhijun , Yang Zhiping , Guo Qinglin
Published: June 2014

Ca2PO4Cl:Ce3+, Eu2+ can produce the intense blue emission under the n-UV excitation, and have the excellent thermal stability. Based on the results, we are currently evaluating the potential application of Ca2PO4Cl:Ce3+, Eu2+ as a blue-emitting n-UV convertible phosphor.
Coupling interaction of cathodic reduction and microbial metabolism in aerobic biocathode of microbial fuel cell
Authors: Du Yue , Feng Yujie , Dong Yue , Qu Youpeng , Liu Jia , Zhou Xiangtong , Ren Nanqi
Published: June 2014

Certain mixed consortia colonized on aerobic biocathodes can improve the 4-electron oxygen reduction of cathodes; however, the coupling interaction of the cathodic reaction and microbial metabolism remains unclear.
Charge transfer luminescence of hafnates under synchrotron vacuum ultraviolet excitation
Authors: Wang De-Yin , Huang Chien-Hao , Cheng Bing-Ming , Chen Teng-Ming , Wang Yu-Hua
Published: June 2014

Hafnates show self-activated luminescence under VUV excitation and host sensitization of Eu2+ emission via hafnate intrinsic emission is demonstrated.
Microwave-assisted synthesis of asymmetric disulfides
Authors: Lu Xiaogang , Wang Hongmei , Gao Runli , Sun Daoming , Bi Xiaojing
Published: June 2014

This paper reports an efficient, odorless and one-pot procedure for the synthesis of benzyl alkyl disulfides using mixtures of thiourea, alkyl halides, and benzyl thiocyanates. The reactions carried out in water with the assistance of microwave enable a time-saving process.
K-bis(2-ethylhexyl) phosphate (BEHPK): a novel additive for C–H arylation
Authors: Seki Masahiko
Published: June 2014

Use of K-bis(2-ethylhexyl) phosphate (BEHPK) as an additive enabled highly reproducible Ru-catalyzed C–H arylation under low catalyst loading (0.5 mol%).
Structural electrochemistry. Chronopotentiometric responses from rising compacted polypyrrole electrodes: experiments and model
Authors: Martinez J. G. , Otero T. F.
Published: June 2014

A model considering conformational packing and structural relaxation–swelling effects describes and quantifies chronopotentiometric responses from conducting polymer film electrodes.
TiO2/ZnO nanocomposite, ZnO/ZnO bi-level nanostructure and ZnO nanorod arrays: microstructure and time-affected wettability change in ambient conditions
Authors: Liu Yangsi , Chen Weiwei , Wei Shanghai , Gao Wei
Published: June 2014

Wettability is an important property of surfaces and interfaces. Understanding the wetting behavior of semiconductors and its relationship with their microstructures has aroused much interest because of the great advantages this gives to various functional applications.
Wash-free highly sensitive detection of C-reactive protein using gold derivatised triangular silver nanoplates
Authors: Zhang Yi , Charles Denise E. , Ledwith Deirdre M. , Aherne Damian , Cunningham Stephen , Voisin Muriel , Blau Werner J. , Gun'ko Yurii K. , Kelly John M. , Brennan-Fournet Margaret E.
Published: June 2014

Rapid, wash-free highly sensitive detection of C-reactive protein is reported using nanoplate biosensor sols.
An economic and environmental evaluation for bamboo-derived bioethanol
Authors: Wang L. , Littlewood J. , Murphy R. J.
Published: June 2014

The potential to obtain bioethanol from bamboo using three different pretreatment technologies (liquid hot water (LHW), dilute acid (DA) and soaking in aqueous ammonia (SAA)) is assessed via techno-economic and environmental analyses.
Synthesis of micro and nano-sized calcium carbonate particles and their applications
Authors: Boyjoo Yash , Pareek Vishnu K. , Liu Jian
Published: June 2014

This paper is an authoritative review of the synthesis of nano and micro-sized calcium carbonate particles and their applications.
Efficient plasmonic photocatalytic activity on silver-nanoparticle-decorated AgVO3nanoribbons
Authors: Wei Zhao , Feng Liang , Zhi-Ming Jin , Xiao-Bo Shi , Peng-Hui Yin , Xue-Ren Wang , Cheng Sun , Zhan-Qi Gao , Liang-Sheng Liao
Published: June 2014

An Ag/AgVO3plasmonic photocatalyst was synthesizedvia in situreduction of AgVO3by NaBH4at room temperature.
Copolyfluorenes containing partially hydrolyzed phosphonate pendant groups: synthesis, characterization and application as electron injection layers for enhanced electroluminescence of PLEDs
Authors: Wu Chia-Shing , Chou Chen-Yi , Chen Yun
Published: June 2014

Copolyfluorenes containing pendant phosphonate groups or partially hydrolyzed phosphonate groups were applied as electron-injection layers to significantly enhance the device performance.
Fast and anisotropic flexibility-rigidity index for protein flexibility and fluctuation analysis
Authors: Opron Kristopher , Xia Kelin , Wei Guo-Wei
Published: June 2014

Protein structural fluctuation, typically measured by Debye-Waller factors, or B-factors, is a manifestation of protein flexibility, which strongly correlates to protein function. The flexibility-rigidity index (FRI) is a newly proposed method for the construction of atomic rigidity functions required in the theory of continuum elasticity with atomic rigidity, which is a new multiscale formalism for describing excessively large biomolecular systems. The FRI method analyzes protein rigidity and flexibility and is capable of predicting protein B-factors without resorting to matrix diagonalization. A fundamental assumption used in the FRI is that protein structures are uniquely determined by various internal and external interactions, while the protein functions, such as stability and flexibility, are solely determined by the structure. As such, one can predict protein flexibility without resorting to the protein interaction Hamiltonian. Consequently, bypassing the matrix diagonalization, the original FRI has a computational complexity of \documentclass[12pt]{minimal}\begin{document}${\cal O}(N^2)$\end{document}O(N2). This work introduces a fast FRI (fFRI) algorithm for the flexibility analysis of large macromolecules. The proposed fFRI further reduces the computational complexity to \documentclass[12pt]{minimal}\begin{document}${\cal O}(N)$\end{document}O(N). Additionally, we propose anisotropic FRI (aFRI) algorithms for the analysis of protein collective dynamics. The aFRI algorithms permit adaptive Hessian matrices, from a completely global 3N × 3N matrix to completely local 3 × 3 matrices. These 3 × 3 matrices, despite being calculated locally, also contain non-local correlation information. Eigenvectors obtained from the proposed aFRI algorithms are able to demonstrate collective motions. Moreover, we investigate the performance of FRI by employing four families of radial basis correlation functions. Both parameter optimized and parameter-free FRI methods are explored. Furthermore, we compare the accuracy and efficiency of FRI with some established approaches to flexibility analysis, namely, normal mode analysis and Gaussian network model (GNM). The accuracy of the FRI method is tested using four sets of proteins, three sets of relatively small-, medium-, and large-sized structures and an extended set of 365 proteins. A fifth set of proteins is used to compare the efficiency of the FRI, fFRI, aFRI, and GNM methods. Intensive validation and comparison indicate that the FRI, particularly the fFRI, is orders of magnitude more efficient and about 10% more accurate overall than some of the most popular methods in the field. The proposed fFRI is able to predict B-factors for α-carbons of the HIV virus capsid (313 236 residues) in less than 30 seconds on a single processor using only one core. Finally, we demonstrate the application of FRI and aFRI to protein domain analysis.
Relativistic nuclear magnetic resonance J-coupling with ultrasoft pseudopotentials and the zeroth-order regular approximation
Authors: Green Timothy F. G. , Yates Jonathan R.
Published: June 2014

We present a method for the first-principles calculation of nuclear magnetic resonance (NMR) J-coupling in extended systems using state-of-the-art ultrasoft pseudopotentials and including scalar-relativistic effects. The use of ultrasoft pseudopotentials is allowed by extending the projector augmented wave (PAW) method of Joyce et al. [J. Chem. Phys. 127, 204107 (2007)]. We benchmark it against existing local-orbital quantum chemical calculations and experiments for small molecules containing light elements, with good agreement. Scalar-relativistic effects are included at the zeroth-order regular approximation level of theory and benchmarked against existing local-orbital quantum chemical calculations and experiments for a number of small molecules containing the heavy row six elements W, Pt, Hg, Tl, and Pb, with good agreement. Finally, 1J(P-Ag) and 2J(P-Ag-P) couplings are calculated in some larger molecular crystals and compared against solid-state NMR experiments. Some remarks are also made as to improving the numerical stability of dipole perturbations using PAW.
Short wavelength turbulence generated by shear in the quiescent H-mode edge on DIII–D
Authors: Rost J. C. , Porkolab M. , Dorris J. , Burrell K. H.
Published: June 2014

A region of turbulence with large radial wavenumber (krρs>1) is found in the high-shear portion of the plasma edge in Quiescent H-mode (QH-mode) on DIII–D using the Phase Contrast Imaging (PCI) diagnostic. At its peak outside the minimum of the Er well, the turbulence exhibits large amplitude ñ/n∼40%, with large radial wavenumber |k¯r/k¯θ|∼11 and short radial correlation length Lr/ρi∼0.2. The turbulence inside the Er well minimum is characterized by the opposite sign in radial wavenumber from that of turbulence outside the minimum, consistent with the expected effects of velocity shear. The PCI diagnostic provides a line-integrated measurement of density fluctuations, so data are taken during a scan of plasma position at constant parameters to allow the PCI to sample a range in kr/kθ. Analysis of the Doppler shift and plasma geometry allows the turbulence to be localized to a narrow region 3 mm inside the last closed flux surface, outside the minimum of the Er well. The turbulence amplitude and radial wavenumber and correlation length are determined by fitting the PCI results with a simple non-isotropic turbulence model with two regions of turbulence. These PCI observations, made in QH-mode, are qualitatively similar to those made in standard edge localized modes (ELM)-free H-mode and between ELMs, suggesting a similar role for large kr turbulence there.
Design of radiation resistant metallic multilayers for advanced nuclear systems
Authors: Zhernenkov Mikhail , Gill Simerjeet , Stanic Vesna , DiMasi Elaine , Kisslinger Kim , Baldwin J. Kevin , Misra Amit , Demkowicz M. J. , Ecker Lynne
Published: June 2014

Helium implantation from transmutation reactions is a major cause of embrittlement and dimensional instability of structural components in nuclear energy systems. Development of novel materials with improved radiation resistance, which is of the utmost importance for progress in nuclear energy, requires guidelines to arrive at favorable parameters more efficiently. Here, we present a methodology that can be used for the design of radiation tolerant materials. We used synchrotron X-ray reflectivity to nondestructively study radiation effects at buried interfaces and measure swelling induced by He implantation in Cu/Nb multilayers. The results, supported by transmission electron microscopy, show a direct correlation between reduced swelling in nanoscale multilayers and increased interface area per unit volume, consistent with helium storage in Cu/Nb interfaces in forms that minimize dimensional changes. In addition, for Cu/Nb layers, a linear relationship is demonstrated between the measured depth-dependent swelling and implanted He density from simulations, making the reflectivity technique a powerful tool for heuristic material design.
Observation of second spin reorientation transition within ultrathin region in Fe films on Ag(001) surface
Authors: Khim T.-Y. , Shin M. , Park B.-G. , Lee H. , Park J.-H.
Published: June 2014

We acquired direct measurements for in-plane and perpendicular-to-plane magnetic moments of Fe films using an x-ray magnetic circular dichroism technique with increase of the Fe thickness (up to 40 Å) on the Ag(001) surface. Epitaxial Fe/Ag(001) films were grown in situ with the thickness varying from 2 Å to 40 Å, and the magnetic anisotropy was carefully investigated as a function of the film thickness. We found re-entrance of the in-plane magnetic anisotropy of the Fe film in ultrathin region. The results manifest that the epitaxial Fe/Ag(001) film undergoes two distinct spin reorientation transitions from in-plane to out-of-plane at the film thickness t ≈ 9 Å and back to in-plane at t ≈ 18 Å as t increases.
Single trap dynamics in electrolyte-gated Si-nanowire field effect transistors
Authors: Pud S. , Gasparyan F. , Petrychuk M. , Li J. , Offenhäusser A. , Vitusevich S. A.
Published: June 2014

Liquid-gated silicon nanowire (NW) field effect transistors (FETs) are fabricated and their transport and dynamic properties are investigated experimentally and theoretically. Random telegraph signal (RTS) fluctuations were registered in the nanolength channel FETs and used for the experimental and theoretical analysis of transport properties. The drain current and the carrier interaction processes with a single trap are analyzed using a quantum-mechanical evaluation of carrier distribution in the channel and also a classical evaluation. Both approaches are applied to treat the experimental data and to define an appropriate solution for describing the drain current behavior influenced by single trap resulting in RTS fluctuations in the Si NW FETs. It is shown that quantization and tunneling effects explain the behavior of the electron capture time on the single trap. Based on the experimental data, parameters of the single trap were determined. The trap is located at a distance of about 2 nm from the interface Si/SiO2 and has a repulsive character. The theory of dynamic processes in liquid-gated Si NW FET put forward here is in good agreement with experimental observations of transport in the structures and highlights the importance of quantization in carrier distribution for analyzing dynamic processes in the nanostructures.
Energy band engineering for photoelectrochemical etching of GaN/InGaN heterostructures
Authors: Ramesh Prashanth , Krishnamoorthy Sriram , Rajan Siddharth , Washington Gregory N.
Published: June 2014

Photoelectrochemical (PEC) etching is a rapid and inexpensive means of etching GaN, InGaN, and related materials for micro-electro-mechanical systems (MEMS) applications. In this work, we show that bandgap engineering of GaN/InGaN heterostructures can be used to exert substantial control over PEC etching and achieve strain-free cantilevers. A single, 200-nm thick layer InGaN was selectively etched using bandgap-selective PEC etch. We show that the use of highly doped guard layers to confine photogenerated holes uniformly across the InGaN layer enables a uniform, fast, and effective PEC etch. This approach enables complete uniform etching using PEC and could enable many optical and MEMS devices.