bluuebunny/crossref_metadata_2025 huggingface dataset:
An examination of the bidirectional relationship between functioning and symptom levels in patients with anxiety disorders in the CALM study
Authors: Brown L. A. , Krull J. L. , Roy-Byrne P. , Sherbourne C. D. , Stein M. B. , Sullivan G. , Rose R. D. , Bystritsky A. , Craske M. G.
Published: October 2014

Background

Patients with anxiety disorders suffer marked functional impairment in their activities of daily living. Many studies have documented that improvements in anxiety symptom severity predict functioning improvements. However, no studies have investigated how improvements in functioning simultaneously predict symptom reduction. We hypothesized that symptom levels at a given time point will predict functioning at the subsequent time point, and simultaneously that functioning at a given time point will predict symptom levels at a subsequent time point.

Method

Patients were recruited from primary-care centers for the Coordinated Anxiety Learning and Management (CALM) study and were randomized to receive either computer-assisted cognitive-behavioral therapy and/or medication management (ITV) or usual care (UC). A cross-lagged panel design examined the relationship between functional impairment and anxiety and depression symptom severity at baseline, 6-, 12-, and 18-month follow-up assessments.

Results

Prospective prediction of functioning from symptoms and symptoms from functioning were both important in modeling these associations. Anxiety and depression predicted functioning as strongly as functioning predicted anxiety and depression. There were some differences in these associations between UC and ITV. Where differences emerged, the UC group was best modeled with prospective paths predicting functioning from symptoms, whereas symptoms and functioning were both important predictors in the ITV group.

Conclusions

Treatment outcome is best captured by measures of functional impairment as well as symptom severity. Implications for treatment are discussed, as well as future directions of research.
Childhood trauma and schizotypy: a systematic literature review
Authors: Velikonja T. , Fisher H. L. , Mason O. , Johnson S.
Published: October 2014

Background.

Schizotypy is a complex concept, commonly defined as a genetic vulnerability to schizophrenia that falls on a continuum between healthy variation and severe mental illness. There is a growing body of evidence supporting an association between childhood trauma and increased psychotic experiences and disorders. However, the evidence as to whether there is a similar association with schizotypy has yet to be systematically synthesized and assessed.

Method.

We conducted a systematic search of published articles on the association between childhood trauma and schizotypy in four major databases. The search covered articles from 1806 to 1 March 2013 and resulted in 17 003 articles in total. Twenty-five original research studies met the eligibility criteria and were included in this review.

Results.

All 25 studies supported the association between at least one type of trauma and schizotypy, with odds ratios (ORs) ranging between 2.01 and 4.15. There was evidence supporting the association for all types of trauma, with no differential effects. However, there was some variability in the quality of the studies, with most using cross-sectional designs. Individuals who reported adverse experiences in childhood scored significantly higher on positive and negative/disorganized schizotypy compared to those who did not report such experiences.

Conclusions.

All forms of childhood trauma and other stressful events (e.g. bullying) were found to be associated with schizotypy, with especially strong associations with positive schizotypy. However, because of the methodological limitations of several studies and a lack of further exploration of different possible mechanistic pathways underlying this association, more research is required.
The influence of negative life events on hippocampal and amygdala volumes in old age: a life-course perspective
Authors: Gerritsen L. , Kalpouzos G. , Westman E. , Simmons A. , Wahlund L.-O. , Bäckman L. , Fratiglioni L. , Wang H.-X.
Published: October 2014

Background.

Psychosocial stress has been related to changes in the nervous system, with both adaptive and maladaptive consequences. The aim of this study was to examine the relationship of negative events experienced throughout the entire lifespan and hippocampal and amygdala volumes in older adults.

Method.

In 466 non-demented old adults (age range 60–96 years, 58% female), hippocampal and amygdala volumes were segmented using Freesurfer. Negative life events and the age at which these events occurred were assessed by means of a structured questionnaire. Using generalized linear models, hippocampal and amygdala volumes were estimated with life events as independent variables. The statistical analyses were adjusted for age, gender, intracranial volume, lifestyle factors, cardiovascular risk factors, depressive symptoms, and cognitive functioning.

Results.

Total number of negative life events and of late-life events, but not of early-life, early-adulthood, or middle-adulthood events, was related to larger amygdala volume. There were interactions of early-life events with age and gender. Participants who reported two or more early-life events had significantly smaller amygdala and hippocampal volumes with increasing age. Furthermore, smaller hippocampal volume was found in men who reported two or more early-life events, but not in women.

Conclusions.

These results suggest that the effect of negative life events on the brain depends on the time when the events occurred, with the strongest effects observed during the critical time periods of early and late life.
SHRINKAGE EFFICIENCY BOUNDS
Authors: Hansen Bruce E.
Published: October 2014

This paper is an extension of Magnus (2002,Econometrics Journal5, 225–236) to multiple dimensions. We consider estimation of a multivariate normal mean under sum of squared error loss. We construct the efficiency bound (the lowest achievable risk) for minimax shrinkage estimation in the class of minimax orthogonally invariate estimators satisfying the sufficient conditions of Efron and Morris (1976,Annals of Statistics4, 11–21). This allows us to compare the regret of existing orthogonally invariate shrinkage estimators. We also construct a new shrinkage estimator which achieves substantially lower maximum regret than existing estimators.
Circulations of Law: Cosmopolitan Elites, Global Repertoires, Local Vernaculars
Authors: Hussin Iza
Published: October 2014

Bernard Cohn once called the imperial point of view the “view from the boat”. There were other boats as well.

In 1893, the sovereign state of Johor adopted the OttomanMedjelle (Meḏj̱elle-yi Aḥkām-i˚ḥʿAdliyye, the civil code applied in the Ottoman Empire since 1877), being the only state among the Muslim sultanates of the Malay Peninsula to do so. In 1895, Johor promulgated a Constitution(Undang-Undang Tubuh Kerajaan Johor), being the first state in Southeast Asia to do so. This article takes this moment, of the intersection of two types of law from quite disparate sources, as a point of departure for tracing the pathways by which law made its way from one corner of the globe to another. Taking nineteenth century Johor as our vantage point provides a new optic for mapping law's geography and temporality and for exploring the logics of law's itinerancy and its locality. The travels of law were always material, and often embodied; on ships sailing the Indian Ocean between Johor and Cairo were diplomats, merchants, pilgrims, and lawyers faced with new pressures and new possibilities; in the growing traffic in letters and newspaper reports between London and New York, Tokyo and Constantinople, were debates about empire and culture, power and authenticity; in personal relationships made possible by the technologies of nineteenth century cosmopolitanism, were similarly worldly dramas of deception and demands for justice. In the 2 short years between the adoption of theMedjelleand the Constitution in Johor, the sultan of Johor, Abu Bakar (1833–1895), typified this mobility and interconnection. In his travels across the Indian Ocean to the Near East and Europe; in his appearance in diplomatic communiques in London, Constantinople and Washington D.C.; in his prominence as a figure of exoticism and intrigue in the newspapers and the courts of the English-speaking world, the sultan not only embodied law's movements in a figurative way, he was also himself a key carrier of the law, and one of its signal articulators.
Schistosoma japonicum in Samar, the Philippines: infection in dogs and rats as a possible risk factor for human infection
Authors: CARABIN H. , McGARVEY S. T. , SAHLU I. , TARAFDER M. R. , JOSEPH L. , DE ANDRADE B. B. , BALOLONG E. , OLVEDA R.
Published: October 2014

The role that animals play in the transmission of Schistosoma japonicum to humans in the Philippines remains uncertain and prior studies have not included several species, adjustment for misclassification error and clustering, or used a cohort design. A cohort study of 2468 people providing stool samples at 12 months following praziquantel treatment in 50 villages of Western Samar, the Philippines, was conducted. Stool samples from dogs, cats, rats, and water buffaloes were collected at baseline (2003–2004) and follow-up (2005). Latent-class hierarchical Bayesian log-binomial models adjusting for misclassification errors in diagnostic tests were used. The village-level baseline and follow-up prevalences of cat, dog, and rat S. japonicum infection were associated with the 12-month cumulative incidence of human S. japonicum infection, with similar magnitude and precision of effect, but correlation between infection levels made it difficult to divide their respective effects. The cumulative incidence ratios associated with a 1% increase in the prevalence of infection in dogs at baseline and in rats at follow-up were 1·04 [95% Bayesian credible interval (BCI) 1·02–1·07] and 1·02 (95% BCI 1·01–1·04), respectively, when both species were entered in the model. Dogs appear to play a role in human schistosomiasis infection while rats could be used as schistosomiasis sentinels.
A (Trans)National Emotional Community? Greek Political Songs and the Politicisation of Greek Migrants in West Germany in the 1960s and early 1970s
Authors: PAPADOGIANNIS NIKOLAOS
Published: October 2014

This article examines the emotional standards and experiences connected with the entehno laiko music composed by Mikis Theodorakis that was immensely popular among left-wing Greek migrants, workers and students, living in West Germany in the 1960s and the early 1970s. Expanding on a body of literature that explores the transnational dimensions of protest movements in the 1960s and the 1970s, the article demonstrates that these transnational dimensions were not mutually exclusive with the fact that at least some of those protestors felt that they belonged to a particular nation. Drawing on the conceptual framework put forth by Barbara Rosenwein, it argues that the performance of these songs was conducive to the making of a (trans)national emotional community. On the one hand, for Greek left-wingers residing in West Germany and, after 1967, for Greek centrists too, the collective singing of music composed by Theodorakis initially served as a means of ‘overcoming fear’ and of forging committed militants who struggled for the social and political transformation of their country of origin. On the other, from the late 1960s onwards those migrants increasingly enacted this emotional community with local activists from West Germany as well.
Improved Bounds for Incidences Between Points and Circles
Authors: SHARIR MICHA , SHEFFER ADAM , ZAHL JOSHUA
Published: October 2014

We establish an improved upper bound for the number of incidences betweenmpoints andncircles in three dimensions. The previous best known bound, originally established for the planar case and later extended to any dimension ≥ 2, isO*(m2/3n2/3+m6/11n9/11+m+n), where theO*(⋅) notation hides polylogarithmic factors. Since all the points and circles may lie on a common plane (or sphere), it is impossible to improve the bound in ℝ3without first improving it in the plane.

Nevertheless, we show that if the set of circles is required to be ‘truly three-dimensional’ in the sense that no sphere or plane contains more thanqof the circles, for someq≪n, then for any ϵ > 0 the bound can be improved to\[ O\bigl(m^{3/7+\eps}n^{6/7} + m^{2/3+\eps}n^{1/2}q^{1/6} + m^{6/11+\eps}n^{15/22}q^{3/22} + m + n\bigr). \]For various ranges of parameters (e.g., whenm= Θ(n) andq=o(n7/9)), this bound is smaller than the lower bound Ω*(m2/3n2/3+m+n), which holds in two dimensions.

We present several extensions and applications of the new bound.

(i)

For the special case where all the circles have the same radius, we obtain the improved boundO(m5/11+ϵn9/11+m2/3+ϵn1/2q1/6+m+n).

(ii)

We present an improved analysis that removes the subpolynomial factors from the bound whenm=O(n3/2−ϵ) for any fixed ϵ < 0.

(iii)

We use our results to obtain the improved boundO(m15/7) for the number of mutually similar triangles determined by any set ofmpoints in ℝ3.

Our result is obtained by applying the polynomial partitioning technique of Guth and Katz using a constant-degree partitioning polynomial (as was also recently used by Solymosi and Tao). We also rely on various additional tools from analytic, algebraic, and combinatorial geometry.
Maternal hyperoxygenation and foetal cardiac MRI in the assessment of the borderline left ventricle
Authors: Borik Sharon , Macgowan Christopher K. , Seed Mike
Published: October 2014

Using phase-contrast MRI in a foetus with borderline left ventricular hypoplasia at 37 weeks’ gestation we showed an increase in pulmonary blood flow during maternal hyperoxygenation. The associated increase in venous return to the left atrium, however, resulted in reversal of the atrial shunt, with no improvement in left ventricular output. The child initially underwent single ventricle palliation with a neonatal hybrid procedure, but following postnatal growth of the left ventricle tolerated conversion to a biventricular circulation at 5 months of age. We conclude that when there is significant restriction of filling or outflow obstruction across the left heart, neither prenatal nor postnatal acute pulmonary vasodilation can augment left ventricular output enough to support a biventricular circulation. Chronic pulmonary vasodilation may stimulate the growth of the left-sided structures allowing biventricular repair, raising the intriguing question of whether chronic maternal oxygen therapy might obviate the need for neonatal single ventricle pallation in the setting of borderline left ventricular hypoplasia.
Septum primum malposition defect and inferior sinus venosus defect: a rare association
Authors: Prasad Deepa , Snyder Christopher , Ashwath Ravi
Published: October 2014

We present a case of a 2-year-old girl who presented with respiratory distress and umbilical abscess, and was found to have an inferior sinus venosus defect, malposition of the atrial septum primum, absent septum secundum, and anomalous drainage of the right upper and lower pulmonary veins to the right atrium.
Traditional Khmer Systems of Forest Management
Authors: SWIFT PETER , COCK ANDREW
Published: October 2014

Aid donors, civil society groups and the Cambodian government have tended to focus their policy initiatives concerned with communities and their forests on Cambodia's indigenous minorities. Few attempts have been made to document the relationship between ethnic Khmers and forests. However, with almost three quarters of Cambodia covered with forests until quite recently, and a large proportion of the Khmer population living in proximity to forests, it is not surprising that Cambodia's dominant ethnic group has had a close and meaningful relationship with forests. In this article, we examine the traditional systems of forest management of Khmer social groups and how these systems are changing. We argue that traditional Khmer systems of forest management are still relevant in the context of the rapid changes that have occurred in rural Cambodia over the past two decades. These systems shape how Khmer groups make sense of the natural world and claim rights of tenure over forest areas. They continue to play a vital role in preserving Cambodia's natural forests in the face of deforestation driven by plantation schemes and logging operations.
The Creation of Sufi Spheres in Medieval Damascus (mid-6th/12th to mid-8th/14th centuries)
Authors: EPHRAT DAPHNA , MAHAMID HATIM
Published: October 2014

This article explores the processes by which medieval Sufi masters and holy men established themselves through their physical and spatial settings and left their mark on the religious and sacred topography. Focusing on Damascus from the mid-6th/12th to mid-8th/14th centuries under the reign of the Zangids, Ayyubids and early Mamluks. The article offers observations on three parallel developments: the genesis and growth of a local space around masters of the Path, the spread of endowed establishments designed by their founders to support the mystics and their rituals, and the incorporation of venerated shaykhs' tombs and shrines into a growing inventory of regional and local sacred sites. Special emphasis is placed on the variations in the very nature of the local sites and spaces that came to be associated with Sufism, their patterns of development and geographical spread, the functions they served and their symbolic message. Through this investigation, the article casts light on the concrete signs of the creation of diverse Sufi spheres in pre-modern Damascus and develops an understanding of the tangible material manifestations of the overall prominent status that Sufism came to hold during a period of intense religious activity.
Genetic analysis of Cheirostylis species based on microsatellite markers
Authors: Sraphet Supajit , Saengsri Anuwat , Smith Duncan R. , Triwitayakorn Kanokporn
Published: October 2014

Microsatellite markers specific to Cheirostylis yunnanensis Rolfe were developed using an enriched genomic DNA library technique. The library was constructed using (AG)20 and (CAG)20 oligonucleotide repeats. A total of 48 primer pairs were designed and tested with 48 C. yunnanensis Rolfe samples, resulting in 11 polymorphic loci. The number of alleles per locus ranged from 2 to 12, with an average of six alleles. The observed and expected heterozygosity ranged from 0.0426 to 0.8085 and 0.0421 to 0.9078, respectively. Of the 11 polymorphic loci, three showed a significant deviation from Hardy–Weinberg equilibrium and one exhibited linkage disequilibrium. Cross-species amplification was tested with five samples of Cheirostylis of unknown species resulting in eight loci that could be amplified, with the number of alleles ranging from one to two. The microsatellite markers developed in this study will be useful for the genetic analysis of C. yunnanensis in order to differentiate species as well as to establish a conservation plan for this species.
UnderstandingThe Problem of Social Cost
Authors: FRISCHMANN BRETT M. , MARCIANO ALAIN
Published: October 2014

Coase always expressed dissatisfaction with neo-classical economics and advocated for a new approach. Rather than using toy mathematical models built from unrealistic, idealized assumptions, Coase preferred to study real-world contexts, including actual legal cases. He demonstrated the utility of his approach in ‘The Problem of Social Cost’. Yet almost all of Coase's contemporaries completely ignored, Coase's call for a new approach and his sustained use of legal cases to illustrate his arguments and to situate his analysis in reality. In this paper, we show that the profession interpreted Coase's seminal article exactly the opposite of what he had intended, and reduced his analytical contributions to a toy model of the exact sort he was criticizing. This ironic history of the most cited article both in law and in economics helps us understand the development of ideas within both fields and how disciplinary blinders shape intellectual progress.
Rewired warfare: rethinking the law of cyber attack
Authors: Schmitt Michael N.
Published: October 2014

The most significant debate regarding the applicability of international humanitarian law to cyber operations involves interpretation of the rules governing cyber “attacks”, as that term is understood in the law. For over a decade, the debate has been a binary one between advocates of the “permissive approach” developed by the author and a “restrictive approach” championed by those who saw the permissive approach as insufficiently protective of the civilian population and other protected persons and objects. In this article, the author analyses that debate, and explains a third approach developed during the Tallinn Manual project. He concludes by suggesting that the Tallinn Manual approach best approximates the contemporary law given the increasing value which societies are attributing to cyber activities.
Is There a Cost to Convenience? An Experimental Comparison of Data Quality in Laboratory and Online Studies
Authors: Clifford Scott , Jerit Jennifer
Published: October 2014

Increasingly, experimental research is being conducted on the Internet in addition to the laboratory. Online experiments are more convenient for subjects and researchers, but we know little about how the choice of study location affects data quality. To investigate whether respondent behavior differs across study location, we randomly assign subjects to participate in a study in a laboratory or in an online setting. Contrary to our expectations, we find few differences between participants in terms of the level of attention and socially desirable responding. However, we find significant differences in two areas: the degree of self-reported distractions while completing the questionnaire and the tendency to consult outside sources for answers to political knowledge questions. We conclude that when the greater convenience (and higher response rates) of online experiments outweighs these disadvantages, Internet administration of randomized experiments represent an alternative to laboratory administration.
Wahrnehmung von Personen und soziale Kognition
Authors: Schweinberger Stefan R. , Schneider Dana
Published: October 2014

Soziale Wahrnehmung, Kommunikation und Interaktion erfordern eine effiziente Analyse und Repräsentation personenbezogener Informationen. Dabei transportieren vor allem Gesichter und Stimmen eine Vielzahl sozial relevanter Informationen, etwa über die Identität einer Person, Emotionen, Geschlecht, Alter, Attraktivität, ethnische Zugehörigkeit oder momentaner Aufmerksamkeitsfokus. Trotz dieses Wissens sind die perzeptuellen Mechanismen der Wahrnehmung komplexer sozialer Stimuli erst in den letzten Jahren systematischer untersucht worden. Diese Entwicklung wurde vorallem durch (1) die Verfügbarkeit sophistizierter Reizmanipulationstechniken (z. B. Bild-, Video- und Stimmen-Morphing, Karikierung, und Mittelungstechniken) sowie (2) die Verfügbarkeit von Messmethoden der kognitiven und sozialen Neurowissenschaften ermöglicht. In diesem Artikel fassen wir den aktuellen Forschungsstand der Wahrnehmung von Personen, besonders bezüglich Gesichter und Stimmen, zusammen. Dabei diskutieren wir ausgewählte Beispiele aktueller Forschung, und legen dar, wie sich die Personenwahrnehmung zu einem zentralen Thema psychologischer Forschung entwickelt hat. Neue Evidenz zeigt, dass sozial relevante perzeptuelle Informationen in Gesichtern oder Stimmen nicht nur erste Eindrücke über Personen erzeugen, sondern dass diese Eindrücke auch moderate Validität aufweisen, so dass Gesichter oder Stimmen als „Fenster zur Person” betrachtet werden können. Wir argumentieren, dass weitere Fortschritte in anderen Feldern der sozialen Kognitionsforschung, welche reale oder virtuelle Agenten berücksichtigen (z. B. Theory of Mind Forschung, soziale Kategorisierung, menschliche Entscheidungen) von einer Berücksichtigung fazialer oder stimmlicher Informationen in der Personenwahrnehmung profitieren.
TGF-β is an inducer of ZEB1-dependent mesenchymal transdifferentiation in glioblastoma that is associated with tumor invasion
Authors: Joseph J V , Conroy S , Tomar T , Eggens-Meijer E , Bhat K , Copray S , Walenkamp A M E , Boddeke E , Balasubramanyian V , Wagemakers M , den Dunnen W F A , Kruyt F A E
Published: October 2014

Different molecular subtypes of glioblastoma (GBM) have been recently identified, of which the mesenchymal subtype is associated with worst prognoses. Here, we report that transforming growth factor-β (TGF-β) is able to induce a mesenchymal phenotype in GBM that involves activation of SMAD2 and ZEB1, a known transcriptional inducer of mesenchymal transition in epithelial cancers. TGF-β exposure of established and newly generated GBM cell lines was associated with morphological changes, enhanced mesenchymal marker expression, migration and invasion in vitro and in an orthotopic mouse model. TGF-β-induced mesenchymal differentiation and invasive behavior was prevented by chemical inhibition of TGF-β signaling as well as small interfering RNA (siRNA)-dependent silencing of ZEB1. Furthermore, TGF-β-responding and -nonresponding GBM neurospheres were identified in vitro. Interestingly, nonresponding cells displayed already high levels of pSMAD2 and ZEB1 that could not be suppressed by inhibition of TGF-β signaling, suggesting the involvement of yet unknown mechanisms. These different GBM neurospheres formed invasive tumors in mice as well as revealed mesenchymal marker expression in immunohistochemical analyses. Moreover, we also detected distinct zones with overlapping pSMAD2, elevated ZEB1 and mesenchymal marker expression in GBM patient material, suggestive of the induction of local, microenvironment-dependent mesenchymal differentiation. Overall, our findings indicate that GBM cells can acquire mesenchymal features associated with enhanced invasive potential following stimulation by secretory cytokines, such as TGF-β. This property of GBM contributes to heterogeneity in this tumor type and may blur the boundaries between the proposed transcriptional subtypes. Targeting TGF-β or downstream targets like ZEB1 might be of potential benefit in reducing the invasive phenotype of GBM in a subpopulation of patients.
Impact of multiple-dose versus single-dose inhaler devices on COPD patients’ persistence with long-acting β2-agonists: a dispensing database analysis
Authors: van Boven Job FM , van Raaij Joost J , van der Galiën Ruben , Postma Maarten J , van der Molen Thys , Dekhuijzen PN Richard , Vegter Stefan
Published: October 2014

Background:

With a growing availability of different devices and types of medication, additional evidence is required to assist clinicians in prescribing the optimal medication in relation to chronic obstructive pulmonary disease (COPD) patients’ persistence with long-acting β2-agonists (LABAs).

Aims:

To assess the impact of the type of inhaler device (multiple-dose versus single-dose inhalers) on 1-year persistence and switching patterns with LABAs.

Methods:

A retrospective observational cohort study was performed comparing a cohort of patients initiating multiple-dose inhalers and a cohort initiating single-dose inhalers. The study population consisted of long-acting bronchodilator naive COPD patients, initiating inhalation therapy with mono-LABAs (formoterol, indacaterol or salmeterol). Analyses were performed using pharmacy dispensing data from 1994 to 2012, obtained from the IADB.nl database. Study outcomes were 1-year persistence and switching patterns. Results were adjusted for initial prescriber, initial medication, dosing regimen and relevant comorbidities.

Results:

In all, 575 patients initiating LABAs were included in the final study cohort. Among them, 475 (83%) initiated a multiple-dose inhaler and 100 (17%) a single-dose inhaler. Further, 269 (47%) initiated formoterol, 9 (2%) indacaterol and 297 (52%) salmeterol. There was no significant difference in persistence between users of multiple-dose or single-dose inhalers (hazard ratio: 0.98, 95% confidence interval: 0.76–1.26, P=0.99). Over 80% re-started or switched medication.

Conclusions:

There seems no impact of inhaler device (multiple-dose versus single-dose inhalers) on COPD patients’ persistence with LABAs. Over 80% of patients who initially seemed to discontinue LABAs, re-started their initial medication or switched inhalers or medication within 1 year.
QM/MM simulations as an assay for carbapenemase activity in class A β-lactamases
Authors: Chudyk Ewa I. , Limb Michael A. L. , Jones Charlotte , Spencer James , van der Kamp Marc W. , Mulholland Adrian J.
Published: October 2014

Carbapenemases are distinguished from carbapenem-inhibited β-lactamases with a protocol involving QM/MM free energy simulations of acyl–enzyme deacylation, requiring only the enzyme 3D structure as input.
Nucleofugality in oxygen and nitrogen derived pseudohalides in Menshutkin reactions: the importance of the intrinsic barrier
Authors: Spahlinger Greg , Jackson James E.
Published: October 2014

Trend holds for a set of 19 polyatomic anionic oxygen and nitrogen nucleofuges.
Synthesis and characterizations of pyridazine-based iron chelators
Authors: Ma Yongmin , Kong Xiaole , Chen Yu-lin , Hider Robert C.
Published: October 2014

New pyridazine-based iron chelators were synthesized from 3,4,5-trichloropyridazine via a 6-step reaction and their iron affinity constants are characterized.
Self-assembly of a M4L6 complex with unexpected S4 symmetry
Authors: Giri Chandan , Topić Filip , Mal Prasenjit , Rissanen Kari
Published: October 2014

In a one-pot reaction 1,4-diaminobenzene and 2-formylpyridine, as the reacting subcomponents, self-assemble to a small supramolecular M4L6 pseudo-tetrahedron with unexpected S4 symmetry in the presence of Fe(ii) ions.
Mechanistic insights into the hydroconversion of cinnamaldehyde using mechanochemically-synthesized Pd/Al-SBA-15 catalysts
Authors: Yepez Alfonso , Hidalgo José M. , Pineda Antonio , Černý Radek , Jíša Petr , Garcia Angel , Romero Antonio A. , Luque Rafael
Published: October 2014

The hydroconversion of cinnamaldehyde was studied using a simple and efficient hydrogen-donating protocol catalyzed by mechanochemically synthesized bifunctional Pd/Al-SBA-15 catalysts.
Optofluidic lasers with a single molecular layer of gain
Authors: Chen Qiushu , Ritt Michael , Sivaramakrishnan Sivaraj , Sun Yuze , Fan Xudong
Published: October 2014

An optofluidic laser with a single molecular layer of gain.
Elucidation of the shanorellin biosynthetic pathway and functional analysis of associated enzymes
Authors: Sato Michio , Yamada Haruka , Hotta Kinya , Watanabe Kenji
Published: October 2014

Since fungal natural products biosynthesized by polyketide synthases frequently exhibit useful biological activities, identifying and understanding the mechanism of biosynthetic steps taken by PKSs are of great interest.
Chiral alkynylcarbinols from marine sponges: asymmetric synthesis and biological relevance
Authors: Listunov Dymytrii , Maraval Valérie , Chauvin Remi , Génisson Yves
Published: October 2014

Achievements in total asymmetric synthesis of petrosiacetylenes and other polyynes-polyols containing alkynylcarbinol pharmacophores for cyctotoxicity, e.g. by enzymatic resolution, reduction of ynones or Zn-mediated addition of terminal alkynes to aldehydes, are reviewed.
Effect of nano-scale curvature on the intrinsic blood coagulation system
Authors: Kushida Takashi , Saha Krishnendu , Subramani Chandramouleeswaran , Nandwana Vikas , Rotello Vincent M.
Published: October 2014

The intrinsic coagulation activity of silica nanoparticles strongly depends on their surface curvature.
Impact of dendritic polymers on nanomaterials
Authors: Soleyman R. , Adeli M.
Published: October 2014

Primary/secondary covalent/non-covalent interactions between dendritic polymers and nanomaterials can change the physicochemical properties, such as shape, of the obtained hybrid nanomaterials.
Synthetic routes toward the trisaccharide related to the lipopolysaccharide of Burkholderia sp. HKI-402 (B4)
Authors: Basu Nabamita , Mukherjee Mana Mohan , Ghosh Rina
Published: October 2014

A stepwise and one-pot sequential synthesis of the trisaccharide are reported, using trichloroacetimidate and thioglycosyl donors and a 3-(N-benzyloxycarbonyl) propyl glycoside acceptor.
SnO nanoparticles as an efficient catalyst for the one-pot synthesis of chromeno[2,3-b]pyridines and 2-amino-3,5-dicyano-6-sulfanyl pyridines
Authors: Safaei-Ghomi Javad , Shahbazi-Alavi Hossein , Heidari-Baghbahadorani Elham
Published: October 2014

A flexible and highly efficient protocol for the synthesis of chromenopyridines and sulfanyl pyridines using nanoSnO has been developed.
Magnesium oxide as a heterogeneous and recyclable base for the N-methylation of indole and O-methylation of phenol using dimethyl carbonate as a green methylating agent
Authors: Gadge Sandip T. , Mishra Ashish , Gajengi Aravind L. , Shahi Nileshkumar V. , Bhanage Bhalchandra M.
Published: October 2014

N-methylation of indole and O-methylation of phenol have been developed using MgO as a heterogeneous, inexpensive, easily available, recyclable solid base and dimethyl carbonate as a green methylating reagent.
A simple label-free electrochemical aptasensor for dopamine detection
Authors: Zhou Jiawan , Wang Wenyang , Yu Peng , Xiong Erhu , Zhang Xiaohua , Chen Jinhua
Published: October 2014

A simple and label-free electrochemical biosensor based on a dopamine DNA aptamer was developed for the sensitive and selective detection of dopamine.
Influence of different membrane environments on the behavior of cholesterol
Authors: Li Zhen-lu , Wang Jing-jing , Ding Hong-ming , Ma Yu-qiang
Published: October 2014

Our results show the distribution of cholesterol between stress-free and stressed membranes or between the inner leaflet and the outer leaflet of curved membrane.
Mussel-inspired ultrathin film on oxidized Ti–6Al–4V surface for enhanced BMSC activities and antibacterial capability
Authors: Wang Ziyuan , Xing Malcolm , Ojo Olanrewaju
Published: October 2014

To improve the biocompatibility and antibacterial capability of thermally oxidized Ti–6Al–4V, an ultrathin alginate/chitosan film that contains nano-silver was constructed through mussel-inspired poly(dopamine).
Synthesis and characterization of platinum modified TiO2-embedded carbon nanofibers for solar hydrogen generation
Authors: Kim Minju , Razzaq Abdul , Kim Young Kwang , Kim Soonhyun , In Su-Il
Published: October 2014

An effective strategy was designed and aimed at photocatalyst reusability with photocatalytic stabile performance. TiO2 embedded carbon nanofibers with optimized Pt photodeposition generated 3.5 μmol of photocatalytic hydrogen. The reusability and photocatalytic stability were also demonstrated.
An overview: synthesis of thin films/membranes of metal organic frameworks and its gas separation performances
Authors: Yeo Zee Ying , Chai Siang-Piao , Zhu Peng Wei , Mohamed Abdul Rahman
Published: October 2014

Metal organic frameworks (MOFs), an emerging class of porous solid materials, have developed into a constructive research field with intense research interests mainly in the field of materials science and chemistry.
Selective extraction of scandium from yttrium and lanthanides with amic acid-type extractant containing alkylamide and glycine moieties
Authors: Baba Yuzo , Fukami Arisa , Kubota Fukiko , Kamiya Noriho , Goto Masahiro
Published: October 2014

The liquid–liquid extraction of rare earth metal ions (scandium (Sc3+), yttrium (Y3+) and the lanthanides (La3+, Nd3+, Eu3+ and Dy3+)) was investigated using N-[N,N-di(2-ethylhexyl)aminocarbonylmethyl]glycine (D2EHAG).
HPTLC-densitometric determination and kinetic studies on antioxidant potential of monomeric phenolic acids (MPAs) from Bergenia species
Authors: Srivastava Nishi , Srivastava Amit , Srivastava S. , Rawat A. K. S. , Khan A. R.
Published: October 2014

We developed a HPTLC method for the quantification of vanillic acid, syringic acid, gallic acid and protocatechuic acid and kinetic studies on antioxidant potential inBergenia ciliataandBergenia stracheyi.
A highly efficient and recyclable cobalt ferrite chitosan sulfonic acid magnetic nanoparticle for one-pot, four-component synthesis of 2H-indazolo[2,1-b]phthalazine-triones
Authors: Zhao Xiao-Na , Hu Guo-Fei , Tang Meng , Shi Tai-Tai , Guo Xiao-Li , Li Tao-Tao , Zhang Zhan-Hui
Published: October 2014

A novel magnetical cobalt ferrite chitosan sulfonic acid (CoFe2O4-CS-SO3H) was prepared and identified as an efficient catalyst for synthesis of 2H-indazolo[2,1-b]phthalazine-triones by one-pot, four-component reaction.
Solid phase synthesis of α-amino squaric acid-containing peptides
Authors: Maeda Kentaro , Kiniwa Yu-ichi , Ohfune Yasufumi , Ishiguro Shinichi , Suzuki Koichi , Murata Kazuya , Matsuda Hideaki , Shinada Tetsuro
Published: October 2014

A new method has been developed for the synthesis of 3-(1-aminoalkyl)-4-hydroxycyclobut-3-ene-1,2-dione [(α-amino squaric acid (α-Asq)]-containing peptides using solid phase peptide synthesis according to an Fmoc protecting group strategy.
Enantioselective α-amination enabled by a BINAM-derived phase-transfer catalyst
Authors: Nelson H. M. , Patel J. S. , Shunatona H. P. , Toste F. D.
Published: October 2014

The enantioselective amination of carbonyl derivatives is achievedviaphase-transfer of aryldiazonium salts by BINAM-derived phosphoric acids.
Design and synthesis of cation-functionalized ionic liquid for application as electrolyte in proton exchange membrane fuel cells
Authors: Gao Jian , Wang Gang , Wang Zhongwei , Wang Yuantao , Liu Jianguo , Liu Wenming , Zou Zhigang
Published: October 2014

–SO3H was introduced to design the cation of an ionic liquid so it can specifically be used as an electrolyte for PEMFCs.
Biomolecule detection in porous silicon based microcavitiesviaeuropium luminescence enhancement
Authors: Jenie S. N. Aisyiyah , Du Zhangli , McInnes Steven J. P. , Ung Phuc , Graham Bim , Plush Sally E. , Voelcker Nicolas H.
Published: October 2014

The ability of a porous silicon microcavity (pSiMC) to act as a luminescence enhancing sensor was confirmed using Eu(iii) complex labelled streptavidin as a model analyte on a biotin-modified pSiMC.
Eu(iii)/Eu(ii)-doped (Ca0.7Sr0.3)CO3 phosphors with vaterite/calcite/aragonite forms as shock/temperature detectors
Authors: Blanco-Gutierrez V. , Demourgues A. , Jubera V. , Gaudon M.
Published: October 2014

(Ca,Sr)CO3:Eu3+ vaterite, calcite and aragonite phases were obtained and exhibit various luminescent properties.
Novel multilevel inverter topologies for medium and high‐voltage applications with lower values of blocked voltage by switches
Authors: Shalchi Alishah Rasoul , Nazarpour Daryoosh , Hosseini Seyed Hossein , Sabahi Mehran
Published: October 2014

In this study, novel multilevel inverter structures for medium and high‐voltage applications are proposed. The proposed topologies can generate a great number of output voltage levels with more advantages. Firstly, a new symmetric cascade topology is presented which can be used in medium voltage applications. Then, based on the proposed symmetric structure, a new hybrid structure is recommended. The proposed hybrid structure can be used in high‐voltage applications. The comparison between the proposed symmetric topology with conventional symmetric cascade topology and other non‐conventional symmetric topologies are presented in terms of the number of insulated gate bipolar transistors (IGBTs), anti‐ parallel diodes, gate drivers and blocked voltage by switches. Moreover, the proposed topologies can be used in bidirectional power flow applications. The validity of the proposed multilevel inverter structures are veriﬁed with experimental and simulation results.
Hard‐template synthesis of titanium dioxide hollow spheres
Authors: Kusior Anna , Warchal Andrzej , Komornicki Stanislaw , Radecka Marta
Published: October 2014

An easy approach for the fabrication of titanium dioxide hollow spheres is proposed. Nanostructures were obtained by the conventional hard template method with silica‐protected calcination. The samples were characterised by differential thermal analysis and thermogravimetry, Brunauer‐Emmett‐Teller nitrogen adsorption isotherms, X‐ray diffraction, scanning and transmission electron microscopy (SEM and TEM). Raman spectroscopy and optical properties of the prepared materials were studied as well. X‐ray analysis has shown that the silica protection layer allows direct phase transformation from amorphous titania to crystalline anatase regardless of the temperature. The crystallite size is more than 5 nm. The diameter of the obtained hollow nanostructures is within the range 115–420 nm. The thickness of the walls varies from 12 to 38 nm depending on annealing conditions. TEM and SEM images confirm their spherical shape.
Modelling of three dimensional equilibrium and stability of MAST plasmas with magnetic perturbations using VMEC and COBRA
Authors: Ham C. J. , Chapman I. T. , Kirk A. , Saarelma S.
Published: October 2014

It is known that magnetic perturbations can mitigate edge localized modes (ELMs) in experiments, for example, MAST [Kirk et al., Nucl. Fusion 53, 043007 (2013)]. One hypothesis is that the magnetic perturbations cause a three dimensional corrugation of the plasma and this corrugated plasma has different stability properties to peeling-ballooning modes compared to an axisymmetric plasma. It has been shown in an up-down symmetric plasma that magnetic perturbations in tokamaks will break the usual axisymmetry of the plasma causing three dimensional displacements [Chapman et al., Plasma Phys. Controlled Fusion 54, 105013 (2012)]. We produce a free boundary three-dimensional equilibrium of a lower single null MAST relevant plasma using VMEC [S. P. Hirshman and J. C. Whitson, Phys. Fluids 26, 3553 (1983)]. The safety factor and pressure profiles used for the modelling are similar to those deduced from axisymmetric analysis of experimental data with ELMs. We focus on the effect of applying n = 3 and n = 6 magnetic perturbations using the resonant magnetic perturbation (RMP) coils. A midplane displacement of over ±1 cm is seen when the full current is applied. The current in the coils is scanned and a linear relationship between coil current and midplane displacement is found. The pressure gradient in real space in different toroidal locations is shown to change when RMPs are applied. This effect should be taken into account when diagnosing plasmas with RMPs applied. The helical Pfirsch-Schlüter currents which arise as a result of the assumption of nested flux surfaces are estimated for this equilibrium. The effect of this non-axisymmetric equilibrium on infinite n ballooning stability is investigated using COBRA [Sanchez et al., J. Comput. Phys. 161, 576–588 (2000)]. The infinite n ballooning stability is analysed for two reasons; it may give an indication of the effect of non-axisymmetry on finite n peeling-ballooning modes, responsible for ELMs; and infinite n ballooning modes are correlated to kinetic ballooning modes which are thought to limit the pressure gradient of the pedestal [Snyder et al., Phys. Plasmas 16, 056118 (2009)]. The ballooning mode growth rate gains a variation in toroidal angle. The equilibria with midplane displacements due to RMP coils have a higher ballooning mode growth rate than the axisymmetric case and the possible implications are discussed.
A new variable temperature solution-solid interface scanning tunneling microscope
Authors: Jahanbekam Abdolreza , Mazur Ursula , Hipps K. W.
Published: October 2014

We present a new solution-solid (SS) interface scanning tunneling microscope design that enables imaging at high temperatures with low thermal drift and with volatile solvents. In this new design, distinct from the conventional designs, the entire microscope is surrounded in a controlled-temperature and controlled-atmosphere chamber. This allows users to take measurements at high temperatures while minimizing thermal drift. By incorporating an open solution reservoir in the chamber, solvent evaporation from the sample is minimized; allowing users to use volatile solvents for temperature dependent studies at high temperatures. The new design enables the user to image at the SS interface with some volatile solvents for long periods of time (>24 h). An increase in the nonlinearity of the piezoelectric scanner in the lateral direction as a function of temperature is addressed. A temperature dependent study of cobalt(II) octaethylporphyrin (CoOEP) at the toluene/Au(111) interface has been performed with this instrument. It is demonstrated that the lattice parameters remain constant within experimental error from 24 °C to 75 °C. Similar quality images were obtained over the entire temperature range. We report the unit cell of CoOEP at the toluene/Au(111) interface (based on two molecules per unit cell) to be A = (1.36 ± 0.04) nm, B = (2.51 ± 0.04) nm, and α = 97° ± 2°.
Dynamics of a spherical particle in an acoustic field: A multiscale approach
Authors: Xie Jin-Han , Vanneste Jacques
Published: October 2014

A rigid spherical particle in an acoustic wave field oscillates at the wave period but has also a mean motion on a longer time scale. The dynamics of this mean motion is crucial for numerous applications of acoustic microfluidics, including particle manipulation and flow visualisation. It is controlled by four physical effects: acoustic (radiation) pressure, streaming, inertia, and viscous drag. In this paper, we carry out a systematic multiscale analysis of the problem in order to assess the relative importance of these effects depending on the parameters of the system that include wave amplitude, wavelength, sound speed, sphere radius, and viscosity. We identify two distinguished regimes characterised by a balance among three of the four effects, and we derive the equations that govern the mean particle motion in each regime. This recovers and organises classical results by King [“On the acoustic radiation pressure on spheres,” Proc. R. Soc. A 147, 212–240 (1934)], Gor'kov [“On the forces acting on a small particle in an acoustical field in an ideal fluid,” Sov. Phys. 6, 773–775 (1962)], and Doinikov [“Acoustic radiation pressure on a rigid sphere in a viscous fluid,” Proc. R. Soc. London A 447, 447–466 (1994)], clarifies the range of validity of these results, and reveals a new nonlinear dynamical regime. In this regime, the mean motion of the particle remains intimately coupled to that of the surrounding fluid, and while viscosity affects the fluid motion, it plays no part in the acoustic pressure. Simplified equations, valid when only two physical effects control the particle motion, are also derived. They are used to obtain sufficient conditions for the particle to behave as a passive tracer of the Lagrangian-mean fluid motion.