bluuebunny/crossref_metadata_2025 huggingface dataset:
Altered white-matter architecture in treatment-naive adolescents with clinical depression
Authors: Aghajani M. , Veer I. M. , van Lang N. D. J. , Meens P. H. F. , van den Bulk B. G. , Rombouts S. A. R. B. , Vermeiren R. R. J. M. , van der Wee N. J.
Published: December 2013

Background

Depressive disorders are highly prevalent in adolescence and confer a heightened risk of recurrence in adulthood. Insight into the developmental neurocircuitry of depression could advance our understanding of depression and aid the development of effective treatment strategies. Whereas white-matter (WM) abnormalities are strongly implicated in adult depression, we still lack a firm understanding of WM architecture in adolescent depression. Using diffusion tensor imaging (DTI), we set out to investigate WM microstructure in a sample of clinically depressed adolescents relative to matched controls.

Method

We employed tract-based spatial statistics (TBSS) to examine WM microstructure in 25 treatment-naive adolescents with clinical depression relative to 21 matched controls. Using TBSS, we examined fractional anisotropy (FA), axial diffusivity (AD), radial diffusivity (RD) and mean diffusivity (MD). Threshold-free cluster enhancement (TFCE) with family-wise error (FWE) correction was used to control for multiple comparisons.

Results

Our analysis revealed abnormal WM microstructure in clinically depressed adolescents. More specifically, whole-brain analysis revealed that patients had lower FA values in the body of the corpus callosum (CC), coupled with elevated RD and MD, and preserved AD. Conversely, region-of-interest analysis revealed that patients had higher FA values in the uncinate fasciculus (UF), coupled with elevated AD, reduced RD and preserved MD.

Conclusions

In line with neurocircuitry models of depression, our findings suggest that WM abnormalities within pathways facilitating cognitive and emotional functioning are involved in the pathophysiology of depression. Importantly, our findings show that these WM abnormalities are already present early in the course of the disorder.
Microhistory in the Middle East: The Case of Ibn Dāniyāl
Authors: Carlson Marvin
Published: December 2013

The recently rediscovered dramatic works of a major thirteenth-century Egyptian author, Muhammad Ibn Dāniyāl, provides a striking example of how the strategies of microhistory can provide an important challenge to, and possible reassessment of, the grand narratives that theatre history has often accepted without serious question. Ibn Dāniyāl is an excellent example of the sort of outsider that has attracted the attention of microhistorians, one of those “peoples who would be left out by other methods.”
From metaphors to measures: observable indicators of gradual institutional change
Authors: Rocco Philip , Thurston Chloe
Published: December 2013

Scholarship on social policy has recently emphasised the importance of gradual processes of institutional change. However, conceptual work on the identification of processes such as drift, conversion and layering has not produced clear empirical indicators that distinguish these processes from one another, posing major problems for empirical research. We argue that, in order to improve the validity of its empirical findings, scholarship on gradual change should – and can – pay more attention to issues of measurement and detection. We then contribute to this goal by clearly articulating observable indicators for several mechanisms of gradual institutional change and validating them against extant empirical work on political economy.
An exploratory qualitative study on relationships between older people and home care workers in South Korea: the view from family carers and service providers
Authors: CHON YONGHO
Published: December 2013

Although the proportion of older people using home care services has significantly increased in East Asian countries, the issue of the relationships between older people and home care workers in the East Asian context has received scant attention from scholars. This exploratory qualitative study aims to explore these relationships under the new Korean long-term care insurance system. Semi-structured in-depth interviews were conducted with 22 family carers and private-sector home care service providers (home care workers and provider managers). The findings show that while the majority of family carers interviewed reported that their relationships were good, the majority of service providers' responses were more negative. Service providers stated that they experienced a number of difficulties that affected their relationships with older clients, including excessive demands or sexual harassment by the older people in their care, exposure to unsafe working environments, and poor treatment in terms of pay and conditions. The findings suggest that stable and good relationships between home care workers and their clients have not been secured in Korea's long-term care system.
Modeling, stability and walking pattern generators of biped robots: a review
Authors: Al-Shuka Hayder F. N. , Allmendinger F. , Corves B. , Zhu Wen-Hong
Published: December 2013

Biped robots have gained much attention for decades. A variety of researches have been conducted to make them able to assist or even substitute for humans in performing special tasks. In addition, studying biped robots is important in order to understand human locomotion and to develop and improve control strategies for prosthetic and orthotic limbs. This paper discusses the main challenges encountered in the design of biped robots, such as modeling, stability and their walking patterns. The subject is difficult to deal with because the biped mechanism intervenes with mechanics, control, electronics and artificial intelligence. In this paper, we collect and introduce a systematic discussion of modeling, walking pattern generators and stability for a biped robot.
A new geometry-based plan for inserting flexible needles to reach multiple targets
Authors: Bobrenkov Oleg A. , Lee Jaeyeon , Park Wooram
Published: December 2013

The tip of a flexible needle with a bevel tip approximately follows a planar arc when it is inserted into soft tissue only with the force applied to the needle along the needle axis. The direction of the arc can be controlled by the rotation input around the needle axis. This flexible and steerable needle has been shown to have a considerable potential in clinical applications due to its maneuverability and steerability. Beyond the needle insertion to a single destination, this paper concerns obtaining needle trajectories that reach multiple targets. Specifically, we propose an algorithm for the insertion of a flexible needle to travel from a single insertion point (i.e. port) to multiple targets. The insertion is motivated by the observation that multiple targets can be reached by the flexible needle through a combination of insertion, partial retraction, turning, and reinsertion of the flexible needle. In this paper we develop an insertion algorithm that minimizes tissue damage during the needle insertion to multiple targets. To this end, a cost function which computes the length of needle trajectory that can be thought of as the tissue damage is defined, and is minimized. Through the minimization, we find the optimal insertion parameters such as the port location, the insertion direction at the port, the targeting order, the turning angles, and the lengths of forward insertions and retractions. To reduce the computation time, we perform workspace analysis for this approach to filter out the no-solution cases. We present numerical examples of the simulated needle insertion for multiple targets with and without obstacles and show the benefit of the proposed method in terms of the tissue damage and the number of skin punctures. Extensions of the proposed approach to more complex cases such as more than three target points and maneuvering around spherical obstacles are also discussed.
Origin(s) of Antarctica's Wilkes Subglacial Basin
Authors: Weihaupt John G. , Van Der Hoeven Frans G. , Lorius Claude , Chambers Frederick B.
Published: December 2013

The Wilkes Subglacial Basin (WSB), the largest subglacial basin in East Antarctica, is a topographic depression of continental proportions that lies beneath the East Antarctic continental ice sheet. Discovered by the US Victoria Land Traverse 1959–60, the origin of the WSB and the influence of palaeoclimate on its overlying continental ice sheet have remained uncertain since the time of its discovery. Most explanations of origin favour lithospheric structural control as a function of tectonic activity. Lithospheric flexure due to thermally or isostatically induced uplift of the Transantarctic Mountains was suggested in the 1980s. Lithospheric extension and rifting was proposed in the 1990s. More recent investigations have revealed the presence of fold and thrust belts, casting doubt on flexural and extensional hypotheses as the primary mechanisms, suggesting instead a compressional scenario. While remaining inconclusive, these tectonic mechanisms in one form or another, or in combination, are now believed to have provided the structural control for the origin of the WSB. Not yet comprehensively examined, however, is the role of non-tectonic processes in the formation of the WSB, as they may have influenced the size, configuration, subglacial sedimentation and subglacial topography of the WSB. In this paper we review the tectonic hypotheses and examine post-tectonic climate change along with glacial and marine processes as potentially significant factors in the present condition and configuration of the WSB. In the process, we find that there are a number of features not included in previous investigations that may have been major factors in the modification of the subglacial basin.
Production-based versus consumption-based emission targets: implications for developing and developed economies
Authors: Ghosh Madanmohan , Agarwal Manmohan
Published: December 2013

This paper evaluates how the marginal abatement cost (MAC) and the efficiency cost of policies will change at the regional and global level if reduction targets are based on consumption-based emissions (CBEs) rather than on production-based emissions (PBEs). Using a CGE model, this paper finds that the MAC of CBEs is in general higher than that of PBEs, mainly due to limited substitution possibilities between energy and non-energy goods in final consumption compared to those in the choice of inputs in production activities under PBEs. Interestingly, when policies such as border carbon adjustments (BCAs) are introduced to reduce CBEs, net importers of emissions are better off, while net exporters of emissions are worse off in this approach compared to the PBEs target. If border tariffs are not allowed, the CBEs target turns out to be worse both for net importers and exporters of emissions.
Comparison of energy balance-related behaviours and measures of body composition between Turkish adolescents in Turkey and Turkish immigrant adolescents in the Netherlands
Authors: Akbulut Gamze , Yildirim Mine , Sanlier Nevin , van Stralen Maartje M , Acar-Tek Nilufer , Bilici Saniye , Brug Johannes , de Meij Judith SB , Gezmen-Karadag Makbule , Koksal Eda , Oenema Anke , Singh Amika S , te Velde Saskia J , Yildiran Hilal , Chinapaw Mai JM
Published: December 2013

Objective

To explore the influences of migration to a Western country on obesity and related risk factors by comparing measures of body composition and energy balance-related behaviours between Turkish adolescents in Turkey (TR-TR) and adolescents from Turkish immigrant ethnicity in the Netherlands (TR-NL).

Design

Cross-sectional survey or baseline intervention data from six Dutch school-based studies and one Turkish study.

Setting

Primary and secondary schools.

Subjects

A total of 915 (49 % girls; mean age 13·1 (sd 0·8) years) TR-TR adolescents and 433 (51 % girls; mean age 11·7 (sd 1·3) years) TR-NL adolescents were included. Outcome measures were self-reported sugar-containing beverage consumption, fruit and vegetable intake, screen time, physical activity, measured body height and weight, BMI, waist and hip circumferences, and skinfold thicknesses.

Results

Our data showed that more TR-NL adolescents were overweight (31 % v. 26 %) and obese (9 % v. 6 %) and had significantly higher mean BMI (21·1 v. 20·0 kg/m2), waist circumference (72·2 v. 71·3 cm) and suprailiac skinfold thickness (19·8 v. 13·1 mm) than TR-TR adolescents. TR-NL adolescents reported significantly higher sugar-containing beverage consumption (1173 v. 115 ml/d), less fruit and vegetable intake (295 v. 647 g/d), less screen time (253 v. 467 min/d) and higher physical activity levels (61 v. 27 min/d) than TR-TR adolescents.

Conclusions

Immigrant adolescents in the Netherlands were more often overweight and had a less favourable dietary pattern than their peers in Turkey, while their physical activity and screen time patterns were more favourable. These results suggest that adolescents from Turkish immigrant ethnicity in the Netherlands have adopted lifestyles towards the host culture.
Trade policy responses to food price crisis and implications for existing domestic support measures: the case of China in 2008
Authors: YU WUSHENG , JENSEN HANS G
Published: December 2013

Many national governments around the world applied export restrictions in order to achieve domestic market stabilization during the 2007/8 world food price crisis. However, current literature says little about how these export restrictions interact with existing domestic support measures in jointly determining domestic market outcomes. This paper analyzes this interaction by providing a quantitative assessment on how increased spending on agricultural domestic support in China offset the negative effects on grain production caused by the country's export restrictions and how these two types of measures jointly moderated rises of domestic grain prices. In particular, domestic and trade measures on key agricultural inputs such as fertilizers are shown to contribute significantly to expand grain outputs and reduce domestic market prices. While the short-term goal in stabilizing domestic grain prices was achieved through these measures, large fiscal and efficiency costs were incurred, especially considering how the short-term export restrictions seemingly necessitated the extra spending on input-based domestic subsidies. We also demonstrate that the costs to China and the rest of the world of these complicated policy interventions may be partially avoidable with a simpler and less distorting instrument.
Legal fictions and legal change
Authors: Del Mar Maksymilian
Published: December 2013

This paper offers a definition of legal fictions and an evaluation of the role of legal fictions in legal practice, especially insofar as they enable legal change. The first part of the paper defines legal fictions as any suspension of one or more of the required operative facts leading to the imposition of an associated normative consequence, whether this suspension is introduced because of (1) the absence of proof of some previously required fact; or (2) the presence of proof to the contrary. The second part argues that legal fictions have an unjustifiably bad reputation as enablers of legal change. This paper makes a plea for seeing legal fictions as forms of tentative cognition that enable courts to communicate with each other, exploring whether a certain change in the law (i.e. precisely a suspension of a required operative fact in the imposition of a certain normative consequence) ought to be introduced at a more explicit level. Under the guise of this relational reading of legal reasoning, legal fictions become an instrument of careful experimentation – a way of testing the extent to which the potential introduction of a rule will be beneficial. Seen in this light, legal fictions are by no means signs of the immaturity of the system; they are, instead, dynamic resources that allow courts, over time, to balance flexibility and responsiveness with stability and predictability.
Life in acute mental health settings: experiences and perceptions of service users and nurses
Authors: Rose D. , Evans J. , Laker C. , Wykes T.
Published: December 2013

Background.

Acute psychiatric provision in the UK today as well as globally has many critics including service users and nurses.

Method.

Four focus groups, each meeting twice, were held separately for service users and nurses. The analysis was not purely inductive but driven by concerns with the social position of marginalised groups – both patients and staff.

Results.

The main themes were nurse/patient interaction and coercion. Service users and nurses conceptualised these differently. Service users found nurses inaccessible and uncaring, whereas nurses also felt powerless because their working life was dominated by administration. Nurses saw coercive situations as a reasonable response to factors ‘internal’ to the patient whereas for service users they were driven to extreme behaviour by the environment of the ward and coercive interventions were unnecessary and heavy handed.

Conclusion.

This study sheds new light on living and working in acute mental health settings today by comparing the perceptions of service users and nurses and deploying service user and nurse researchers. The intention is to promote better practice by providing a window on the perceptions of both groups.
Nationwide Survey on HIV/AIDS Knowledge, Attitudes and Risk Behavior in University Students of Portugal
Authors: Reis Marta , Ramiro Lúcia , Gaspar de Matos Margarida , Diniz José Alves
Published: December 2013

HIV and sexually transmitted infections is a major threat for humanity in the world, especially in developing countries. The goals of this study were to: (a) analyze differences between genders in knowledge, attitudes, and risk behaviors about HIV/AIDS; and (b) evaluate the association between inconsistent condom use and knowledge, attitudes and risk behaviors about HIV/AIDS in Portuguese university students. Data were collected through a self-administered questionnaire from the Portuguese sample of the Sexual and Reproductive Health in University Students study (SRHUS), which is an extension of the Health Behavior in School-aged Children (HBSC) study for university students. This cross-sectional study provides national representative data of 3278 Portuguese university students. Results show that the majority is sexually active; the usual contraceptive methods more reported are the oral contraceptive and the male condom. However the prevalence of consistent condom use in last 12 months is 34.5% (men) and 31.7% (women). Men more often than women report engaging in sexual risk behaviors (occasional partners, sex associated to alcohol and drugs, STIs). In general, university students have good knowledge about how to protect themselves from HIV and have positive attitudes towards people with HIV/AIDS. This survey could be a useful guide in the development of campaigns or programs designed to convey accurate information about HIV transmission routes and prevention strategies and to dispel erroneous beliefs about HIV.
An Integrative Study of Autobiographical Memory for Positive and Negative Experiences
Authors: García-Bajos Elvira , Migueles Malen
Published: December 2013

In this study we examined autobiographical memory for emotional experiences from an integrative perspective, analyzing nature, distribution, content and phenomenological assessment of the experiences. Undergraduate students produced positive or negative life experiences, dated them and indicated their emotional level. Afterwards, they chose an experience to narrate, and rated their memory for the experience. The positive and negative experiences were grouped into 14 categories, although most of them fell into four areas: studies, family, friends and couple. The number of positive and negative experiences progressively increased from very few childhood memories to a larger percentage of more recent events. The distribution was equivalent, except during adolescence, in which a greater number of negative than positive experiences were recorded. The negative narratives included more emotional details, references to cognitive processes, mental rehearsal and justifications than the positive narratives. But the positive experiences obtained higher ratings in vividness and sensorial details than the negative experiences.
The Portuguese Version of the Depressive Experiences Questionnaire (DEQ): Results from a Validation Program in Clinical and non Clinical Samples
Authors: Campos Rui C. , Besser Avi , Blatt Sidney J.
Published: December 2013

The Depressive Experiences Questionnaire (DEQ, Blatt, D’Afflitti, & Quinlan, 1976, 1979), a self-report measure used in personality research, assesses the constructs of Dependency and Self-Criticism as vulnerability factors in depression (Blatt, 1974, 1990, 2004) and psychopathology more generally (Blatt, 2008; Blatt & Shichman, 1983). This study establishes a Portuguese version of the DEQ with six samples: a bilingual sample to test the measurement equivalence of the Portuguese DEQ, and two college student samples, two community samples and a clinical sample, to test the reliability, factor structure and criterion, convergent and predictive validity of this translation of the DEQ. A measure of depression (Center for Epidemiologic Studies Depression Scale; CES-D; Radloff, 1977) and of general psychopathology (Brief Symptom Inventory; BSI; Derogatis, 1993) evaluated the convergent validity of the DEQ. Findings indicate satisfactory reliability and validity of the Portuguese DEQ, and the value of the DEQ for investigating the relationship between personality and depression and between personality and psychopathology more generally. It is important to note, however, that these conclusions are based on a limited clinical sample. Additional reliability and validity data are needed with a larger clinical sample.
Extension of the broadband single-mode integrated optical waveguide technique to the ultraviolet spectral region and its applications
Authors: Wiederkehr Rodrigo S. , Mendes Sergio B.
Published: December 2013

We report here the fabrication, characterization, and application of a single-mode integrated optical waveguide (IOW) spectrometer capable of acquiring optical absorbance spectra of surface-immobilized molecules in the visible and ultraviolet spectral region down to 315 nm.
Interaction of quercetin with aqueous CdSe/ZnS quantum dots and the possible fluorescence probes for flavonoids
Authors: Hu Wei-Ping , Cao Guo-Dong , Dong Wei , Shen Huai-Bin , Liu Xiu-Hua , Li Lin-Song
Published: December 2013

Based on the quenching of the fluorescence intensity of quantum dots, the interaction of CdSe/ZnS quantum dots with four flavonoid compounds, including quercetin, rutin, luteolin, and 5,7,3′,4′-tetrahydroxy-flavanone, and their mechanism were studied.
Combinatorial array of gold nanoparticles with dyes for colorimetric sensing of metal ions
Authors: Wei Xiao-Lan , Mo Zhi-Hong
Published: December 2013

By combining gold nanoparticles with three benzylamine dyes, a minimal size array composed of three sensors was achieved for discrimination of eight metal ions and their binary mixture.
The first decade of organic spintronics research
Authors: Sun Dali , Ehrenfreund Eitan , Valy Vardeny Z.
Published: December 2013

The significant milestones in organic spintronics achieved during the first decade of research are reviewed.
Two- and one-step cooperative spin transitions in Hofmann-like clathrates with enhanced loading capacity
Authors: Piñeiro-López Lucía , Seredyuk Maksym , Muñoz M. Carmen , Real José A.
Published: December 2013

Naphthalene and nitrobenzene clathrates of a new Hofmann-like porous MOF with improved loading capacity display highly cooperative spin crossover behaviour.
A green and facile approach for the synthesis of water-dispersible reduced graphene oxide based on ionic liquids
Authors: Zhang Tongping , Liu Ping , Sheng Chunrui , Duan Yongxin , Zhang Jianming
Published: December 2013

A green and facile approach for the synthesis of water-dispersible reduced graphene oxide based on ionic liquids.
Rhodium/phospholane–phosphite catalysts give unusually high regioselectivity in the enantioselective hydroformylation of vinyl arenes
Authors: Noonan Gary M. , Cobley Christopher J. , Mahoney Thomas , Clarke Matthew L.
Published: December 2013

Using the phospholane–phosphite ligand shown, chemoselectivity to aldehydes, regioselectivity and enantioselectivity are all very high, even using low catalyst loadings and with no solvent.
Catalytic asymmetric synthesis of 1,3-enyne scaffolds: design and synthesis of conjugated nitro dienynes as novel Michael acceptors and development of a new synthetic methodology
Authors: Li Xiang , Peng Fangzhi , Zhou Mingtao , Mo Mingjie , Zhao Ruirui , Shao Zhihui
Published: December 2013

A catalytic enantioselective synthesis of 1,3-enynes for the development of nitro dienynes as novel Michael acceptors has been developed.
Pharmaceutical cocrystals and a nitrate salt of voriconazole
Authors: Kumar S. Sudalai , Thakuria Ranjit , Nangia Ashwini
Published: December 2013

Novel crystalline forms of voriconazole are identified with improved aqueous solubility. The dinitrate salt of voriconazole exhibited 10 fold higher solubility and 3 times faster dissolution rate in 0.1 N HCl medium compared to the reference drug.
Air-stable, high-conduction solid electrolytes of arsenic-substituted Li4SnS4
Authors: Sahu Gayatri , Lin Zhan , Li Juchuan , Liu Zengcai , Dudney Nancy , Liang Chengdu
Published: December 2013

HSAB theory predicts the design of air-stable, high-conduction sulfide based solid electrolytes.
Fragment growing to retain or alter the selectivity of anchored kinase hinge-binding fragments
Authors: Allen Charlotte E. , Welford Amanda J. , Matthews Thomas P. , Caldwell John J. , Collins Ian
Published: December 2013

The selectivity patterns of kinase hinge-binding fragments can be retained during fragment growing, suggesting a new way to control poly-pharmacology.
Artificial photosynthesis for solar hydrogen generation over transition-metal substituted Keggin-type titanium tungstate
Authors: Shang Xinke , Liu Rongji , Zhang Guangjin , Zhang Suojiang , Cao Hongbin , Gu Zhanjun
Published: December 2013

POMs (abbreviated as TiW11M (M = Fe, Co, Zn)) show good photocatalytic activities toward H2 evolution.
Ultra-sensitive and selective Hg2+ chemosensors derived from substituted 8-hydroxyquinoline analogues
Authors: Bell Jérémy , Samb Issa , Toullec Patrick Y. , Mongin Olivier , Blanchard-Desce Mireille , Michelet Véronique , Leray Isabelle
Published: December 2013

A mercury concentration of 15 ppt can be selectively detected, in aqueous medium, thanks to a thiophosphinatylated 8-hydroxyquinoline sensor.
Green synthesis of polyvinyl alcohol (PVA)–cellulose nanofibril (CNF) hybrid aerogels and their use as superabsorbents
Authors: Zheng Qifeng , Cai Zhiyong , Gong Shaoqin
Published: December 2013

PVA/CNF aerogels produced by an environmentally friendly freeze-drying process followed by thermal chemical vapor deposition of methyltrichlorosilane exhibit excellent oil and solvent absorption and remarkable heavy metal ion scavenging capability.
From core–shell MoSx/ZnS to open fullerene-like MoS2 nanoparticles
Authors: Blanco Elodie , Uzio Denis , Berhault Gilles , Afanasiev Pavel
Published: December 2013

Open 20–50 nm size fullerene-like MoS2 particles having controllable size and wall thickness were prepared with a quantitative yield from the seed-grown core–shell materials MoSx/ZnS (x ∼ 3–4).
Fabrication of amorphous carbon-coated NiO nanofibers for electrochemical capacitor applications
Authors: Shin Dong Hoon , Lee Jun Seop , Jun Jaemoon , Jang Jyongsik
Published: December 2013

Amorphous carbon-coated nickel oxide nanofibers (NiC NFs) were fabricated by vapor deposition polymerization and carbonization. The NiC NFs showed a higher electrochemical property and a longer cycling performance than pristine NiO NFs.
Effect of epithelium ATP release on cyclic pressure-induced airway mucus secretion
Authors: Tong Jin , Zhou Xiang-dong , Perelman Juliy M. , Kolosov Victor P.
Published: December 2013

The cyclic mechanical effect of airflow during breathing creates the optimal airway hydration state. MUC (mucin) 5AC is an important component of the airway mucus. The formation of MUC5AC is related to ATP and intracellular calcium in the epithelial cells. In this study, we evaluated the effect of ATP release from intracellular calcium in epithelial cells on cyclic pressure-induced mucus secretion in the airway. 16HBE (human bronchial epithelial cells) were cultured in vitro on cyclically tilted cultured plates and divided into five groups: control, tilt, tilt and BAPTA–AM (1,2-bis-(o-aminophenoxy)ethane-N,N,N',N'-tetra-acetic acid–acetoxymethyl ester), tilt and EGTA and tilt and RB-2 (reactive blue-2). The shear stress and compressive stress were induced by the surface tension of the liquid, atmospheric pressure and liquid gravity. Cell activity, MUC5AC mRNA expression level, MUC5AC protein expression level and ATP release and intracellular calcium changes were measured with the MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-2H-tetrazolium bromide) assay, RT–PCR (reverse transcription–PCR), HPLC and inverted fluorescence microscope, respectively. We detected that cyclic pressure significantly increased MUC5AC secretion and ATP release. The enhanced ATP release could be inhibited by both BAPTA–AM and RB-2, while EGTA did not have a suppressive effect. BAPTA–AM, EGTA and RB-2 did not obviously inhibit MUC5AC mRNA expression. Cyclic pressure did not induce MUC5AC secretion in the airway mucus epithelium via Ca2+-dependent ATP release, and nearly all Ca2+ was provided by stored intracellular Ca2+.
Drawing ‘Align’ in the Sand: The Cultural Shift toward Federating IT at Guardian Life Insurance
Authors: Luftman Jerry , Wander Frank , Nathan Mark , Sutaria Harshil
Published: December 2013

The 5-year transformation at Guardian Life Insurance provides significant insights for organizations aspiring to enhance their IT–business alignment. Alignment is more than just organizational structure, there is no silver bullet; it requires effective governance, partnership, communications, value analytics, technical services, and people. Like most companies around the globe, Guardian recognized the importance of moving to a collaborative IT–business alignment relationship; IT–business alignment was a persistent pervasive problem that needed to be improved. In 2005, Guardian viewed IT as an ineffective expensive cost of supporting the business. Was improving the IT–business relationship as difficult as drawing ‘a line’ in the sand? Today, IT is enabling and driving demonstrable strategic business value. The approach that transpired this turnaround at Guardian will provide students and organizations with a clear understanding and set of lessons learned that can be applied to enhance IT–business harmony. More importantly, it will help organizations recognize the important role that IT and business leadership must play as they collaborate to address the important considerations necessary to attain a mature relationship. To demonstrate this transformation, the past and the current IT–business alignment maturity of Guardian has been benchmarked and analyzed to reveal the steps taken to enhance the impact that IT is having on the company. Were these initiatives all that are necessary to enhance the IT–business relationship? What are the important next steps to improve the relationship?
Random walks in unweighted and weighted modular scale-free networks with a perfect trap
Authors: Yang Yihang , Zhang Zhongzhi
Published: December 2013

Designing optimal structure favorable to diffusion and effectively controlling the trapping process are crucial in the study of trapping problem—random walks with a single trap. In this paper, we study the trapping problem occurring on unweighted and weighted networks, respectively. The networks under consideration display the striking scale-free, small-world, and modular properties, as observed in diverse real-world systems. For binary networks, we concentrate on three cases of trapping problems with the trap located at a peripheral node, a neighbor of the root with the least connectivity, and a farthest node, respectively. For weighted networks with edge weights controlled by a parameter, we also study three trapping problems, in which the trap is placed separately at the root, a neighbor of the root with the least degree, and a farthest node. For all the trapping problems, we obtain the analytical formulas for the average trapping time (ATT) measuring the efficiency of the trapping process, as well as the leading scaling of ATT. We show that for all the trapping problems in the binary networks with a trap located at different nodes, the dominating scalings of ATT reach the possible minimum scalings, implying that the networks have optimal structure that is advantageous to efficient trapping. Furthermore, we show that for trapping in the weighted networks, the ATT is controlled by the weight parameter, through modifying which, the ATT can behave superlinearly, linearly, sublinearly, or logarithmically with the system size. This work could help improving the design of systems with efficient trapping process and offers new insight into control of trapping in complex systems.
Adapting SAFT-γ perturbation theory to site-based molecular dynamics simulation. I. Homogeneous fluids
Authors: Ghobadi Ahmadreza F. , Elliott J. Richard
Published: December 2013

In this work, we aim to develop a version of the Statistical Associating Fluid Theory (SAFT)-γ equation of state (EOS) that is compatible with united-atom force fields, rather than experimental data. We rely on the accuracy of the force fields to provide the relation to experimental data. Although, our objective is a transferable theory of interfacial properties for soft and fused heteronuclear chains, we first clarify the details of the SAFT-γ approach in terms of site-based simulations for homogeneous fluids. We show that a direct comparison of Helmholtz free energy to molecular simulation, in the framework of a third order Weeks-Chandler-Andersen perturbation theory, leads to an EOS that takes force field parameters as input and reproduces simulation results for Vapor-Liquid Equilibria (VLE) calculations. For example, saturated liquid density and vapor pressure of n-alkanes ranging from methane to dodecane deviate from those of the Transferable Potential for Phase Equilibria (TraPPE) force field by about 0.8% and 4%, respectively. Similar agreement between simulation and theory is obtained for critical properties and second virial coefficient. The EOS also reproduces simulation data of mixtures with about 5% deviation in bubble point pressure. Extension to inhomogeneous systems and united-atom site types beyond those used in description of n-alkanes will be addressed in succeeding papers.
Structure, stability, and dissociation of small ionic silicon oxide clusters [SiOn+(n = 3, 4)]: Insight from density functional and topological exploration
Authors: Sen Kaushik , Ghosh Deepanwita , Pakhira Srimanta , Banu Tahamida , Das Abhijit K.
Published: December 2013

The structures, energies, isomerization, and decomposition pathways of small ionic silicon oxide clusters, SiOn+ (n = 3, 4), on doublet and quartet energy surfaces are investigated by density functional theory. New structural isomers of these ionic clusters have been obtained with this systematic study. The energy ordering of the isomeric cluster ions on doublet spin surface is found to follow the same general trend as that of the neutral ones, while it differs on the quartet surface. Our computational results reveal the energetically most preferred decomposition pathways of the ionic clusters on both spin surfaces. To comprehend the reaction mechanism, bonding evolution theory has also been employed using atoms in molecules formalism. The possible reasons behind the structural deformation of some isomers on quartet surface have also been addressed. Our results are expected to provide important insight into the decomposition mechanism and relative stability of the SiOn+ clusters on both the energy surfaces.
Understanding the role of ions and water molecules in the NaCl dissolution process
Authors: Klimeš Jiří , Bowler David R. , Michaelides Angelos
Published: December 2013

The dissolution of NaCl in water is one of the most common everyday processes, yet it remains poorly understood at the molecular level. Here we report the results of an extensive density functional theory study in which the initial stages of NaCl dissolution have been examined at low water coverages. Our specific approach is to study how the energetic cost of moving an ion or a pair of ions to a less coordinated site at the surface of various NaCl crystals varies with the number of water molecules adsorbed on the surface. This “microsolvation” approach allows us to study the dependence of the defect energies on the number of water molecules in the cluster and thus to establish when and where dissolution becomes favorable. Moreover, this approach allows us to understand the roles of the individual ions and water molecules in the dissolution process. Consistent with previous work we identify a clear preference for dissolution of Cl ions over Na ions. However, the detailed information obtained here leads to the conclusion that the process is governed by the higher affinity of the water molecules to Na ions than to Cl ions. The Cl ions are released first as this exposes more Na ions at the surface creating favorable adsorption sites for water. We discuss how this mechanism is likely to be effective for other alkali halides.
Mechanism of power consumption inhibitive multi-layer Zn:SiO2/SiO2 structure resistance random access memory
Authors: Zhang Rui , Tsai Tsung-Ming , Chang Ting-Chang , Chang Kuan-Chang , Chen Kai-Huang , Lou Jen-Chung , Young Tai-Fa , Chen Jung-Hui , Huang Syuan-Yong , Chen Min-Chen , Shih Chih-Cheng , Chen Hsin-Lu , Pan Jhih-Hong , Tung Cheng-Wei , Syu Yong-En , Sze Simon M.
Published: December 2013

In this paper, multi-layer Zn:SiO2/SiO2 structure is introduced to reduce the operation power consumption of resistive random access memory (RRAM) device by modifying the filament formation process. And the configuration of multi-layer Zn:SiO2/SiO2 structure is confirmed and demonstrated by auger electron spectrum. Material analysis together with conduction current fitting is applied to qualitatively evaluate the carrier conduction mechanism on both low resistance state and high resistance state. Finally, single layer and multilayer conduction models are proposed, respectively, to clarify the corresponding conduction characteristics of two types of RRAM devices.
Geometric phase effects in low-energy dynamics near conical intersections: A study of the multidimensional linear vibronic coupling model
Authors: Joubert-Doriol Loïc , Ryabinkin Ilya G. , Izmaylov Artur F.
Published: December 2013

In molecular systems containing conical intersections (CIs), a nontrivial geometric phase (GP) appears in the nuclear and electronic wave functions in the adiabatic representation. We study GP effects in nuclear dynamics of an N-dimensional linear vibronic coupling (LVC) model. The main impact of GP on low-energy nuclear dynamics is reduction of population transfer between the local minima of the LVC lower energy surface. For the LVC model, we proposed an isometric coordinate transformation that confines non-adiabatic effects within a two-dimensional subsystem interacting with an N − 2 dimensional environment. Since environmental modes do not couple electronic states, all GP effects originate from nuclear dynamics within the subsystem. We explored when the GP affects nuclear dynamics of the isolated subsystem, and how the subsystem-environment interaction can interfere with GP effects. Comparing quantum dynamics with and without GP allowed us to devise simple rules to determine significance of the GP for nuclear dynamics in this model.
Infrared laser spectroscopy of the helium-solvated allyl and allyl peroxy radicals
Authors: Leavitt Christopher M. , Moradi Christopher P. , Acrey Bradley W. , Douberly Gary E.
Published: December 2013

Infrared spectra in the C–H stretch region are reported for the allyl (CH2CHCH2) and allyl peroxy (CH2=CH–CH2OO·) radicals solvated in superfluid helium nanodroplets. Nine bands in the spectrum of the allyl radical have resolved rotational substructure. We have assigned three of these to the ν1 (a1), ν3 (a1), and ν13 (b2) C–H stretch bands and four others to the ν14/(ν15+2ν11) (b2) and ν2/(ν4+2ν11) (a1) Fermi dyads, and an unassigned resonant polyad is observed in the vicinity of the ν1 band. Experimental coupling constants associated with Fermi dyads are consistent with quartic force constants obtained from density functional theory computations. The peroxy radical was formed within the He droplet via the reaction between allyl and O2 following the sequential pick-up of the reactants. Five stable conformers are predicted for the allyl peroxy radical, and a computed two-dimensional potential surface for rotation about the CC–OO and CC–CO bonds reveals multiple isomerization barriers greater than ≈300 cm−1. Nevertheless, the C–H stretch infrared spectrum is consistent with the presence of a single conformer following the allyl + O2 reaction within helium droplets.
Tailoring the surface density of silicon nanocrystals embedded in SiOx single layers
Authors: Hernández S. , Miska P. , Grün M. , Estradé S. , Peiró F. , Garrido B. , Vergnat M. , Pellegrino P.
Published: December 2013

In this article, we explore the possibility of modifying the silicon nanocrystal areal density in SiOx single layers, while keeping constant their size. For this purpose, a set of SiOx monolayers with controlled thickness between two thick SiO2 layers has been fabricated, for four different compositions (x = 1, 1.25, 1.5, or 1.75). The structural properties of the SiOx single layers have been analyzed by transmission electron microscopy (TEM) in planar view geometry. Energy-filtered TEM images revealed an almost constant Si-cluster size and a slight increase in the cluster areal density as the silicon content increases in the layers, while high resolution TEM images show that the size of the Si crystalline precipitates largely decreases as the SiOx stoichiometry approaches that of SiO2. The crystalline fraction was evaluated by combining the results from both techniques, finding a crystallinity reduction from 75% to 40%, for x = 1 and 1.75, respectively. Complementary photoluminescence measurements corroborate the precipitation of Si-nanocrystals with excellent emission properties for layers with the largest amount of excess silicon. The integrated emission from the nanoaggregates perfectly scales with their crystalline state, with no detectable emission for crystalline fractions below 40%. The combination of the structural and luminescence observations suggests that small Si precipitates are submitted to a higher compressive local stress applied by the SiO2 matrix that could inhibit the phase separation and, in turn, promotes the creation of nonradiative paths.
Local environment of silicon in cubic boron nitride
Authors: Murata Hidenobu , Taniguchi Takashi , Hishita Shunichi , Yamamoto Tomoyuki , Oba Fumiyasu , Tanaka Isao
Published: December 2013

Si-doped cubic boron nitride (c-BN) is synthesized at high pressure and high temperature, and the local environment of Si is investigated using X-ray absorption near edge structure (XANES) and first-principles calculations. Si-K XANES indicates that Si in c-BN is surrounded by four nitrogen atoms. According to first-principles calculations, the model for substitutional Si at the B site well reproduces experimental Si-K XANES, and it is energetically more favorable than substitutional Si at the N site. Both the present experimental and theoretical results indicate that Si in c-BN prefers the B site to the N site.
Wind speed forecasting for grid code compliance
Authors: Nandha Kishore S. R. , Vanitha V.
Published: December 2013

The wind power producers in India are obliged to give a forecast of their power in advance as per Indian Electricity Grid Code 2010 (IEGC). This work explores Adaptive Neuro-Fuzzy Inference Systems (ANFIS) to forecast the average hourly wind speed. To obtain ANFIS that best suited the wind speed forecasting system, several ANFIS models were trained, tested, and compared. The results for the short term wind speed forecast using the available data have been studied. A typical Supervisory Control and Data Acquisition (SCADA) system is modeled to transfer data to a forecasting system in the host computer loaded with ANFIS and also to communicate the output to the State Load Dispatch Centers (SLDC). With the constraints of data and computation capability, the proposed wind speed forecast work is expected to deliver better wind power forecast results, when the required inputs are given. The presented work deals with the methodology which can be used by the Wind power producers with appropriate facilities and tools on a larger scale.
High stability electron field emitters made of nanocrystalline diamond coated carbon nanotubes
Authors: Sankaran K. J. , Srinivasu K. , Leou K. C. , Tai N. H. , Lin I. N.
Published: December 2013

We report enhanced life-time stability for the electron field emitters prepared by coating nanocrystalline diamond (NCD) on carbon nanotubes (CNTs). Upon overcoming the problem of poor stability in CNTs, the NCD-CNTs exhibit excellent life-time stability of 250 min tested at different applied voltages of 600 and 900 V. In contrast, the life-time stability of CNTs is only 33 min even at relatively low voltage of 360 V and starts arcing at 400 V. Hence, the NCD-CNTs with improved life-time stability have great potential for the applications as cathodes in flat panel displays and microplasma display devices.
Bacterial bioluminescence and Gumbel statistics: From quorum sensing to correlation
Authors: Delle Side Domenico , Velardi Luciano , Nassisi Vincenzo , Pennetta Cecilia , Alifano Pietro , Talà Adelfia , Salvatore Tredici Maurizio
Published: December 2013

We show that, in particular experimental conditions, the time course of the radiant fluxes, measured from a bioluminescent emission of a Vibrio harveyi related strain, collapse after suitable rescaling onto the Gumbel distribution of extreme value theory. We argue that the activation times of the strain luminous emission follow the universal behavior described by this statistical law, in spite of the fact that no extremal process is known to occur.
Quantitatively identical orientation-dependent ionization energy and electron affinity of diindenoperylene
Authors: Han W. N. , Yonezawa K. , Makino R. , Kato K. , Hinderhofer A. , Murdey R. , Shiraishi R. , Yoshida H. , Sato N. , Ueno N. , Kera S.
Published: December 2013

Molecular orientation dependences of the ionization energy (IE) and the electron affinity (EA) of diindenoperylene (DIP) films were studied by using ultraviolet photoemission spectroscopy and inverse photoemission spectroscopy. The molecular orientation was controlled by preparing the DIP films on graphite and SiO2 substrates. The threshold IE and EA of DIP thin films were determined to be 5.81 and 3.53 eV for the film of flat-lying DIP orientation, respectively, and 5.38 and 3.13 eV for the film of standing DIP orientation, respectively. The result indicates that the IE and EA for the flat-lying film are larger by 0.4 eV and the frontier orbital states shift away from the vacuum level compared to the standing film. This rigid energy shift is ascribed to a surface-electrostatic potential produced by the intramolecular polar bond (>C−-H+) for standing orientation and π-electron tailing to vacuum for flat-lying orientation.