bluuebunny/crossref_metadata_2025 huggingface dataset:
Interactions of the “piano‐stool” [ruthenium(II)(η6‐arene)(quinolone)Cl]+complexes with water; DFT computational study
Authors: Zábojníková Tereza , Cajzl Radim , Kljun Jakob , Chval Zdeněk , Turel Iztok , Burda Jaroslav V.
Published: May 2016

Full optimizations of stationary points along the reaction coordinate for the hydration of several quinolone Ru(II) half‐sandwich complexes were performed in water environment using the B3PW91/6‐31+G(d)/PCM/UAKS method. The role of diffuse functions (especially on oxygen) was found crucial for correct geometries along the reaction coordinate. Single‐point (SP) calculations were performed at the B3LYP/6‐311++G(2df,2pd)/DPCM/saled‐UAKS level. In the first part, two possible reaction mechanisms—associative and dissociative were compared. It was found that the dissociative mechanism of the hydration process is kinetically slightly preferred. Another important conclusion concerns the reaction channels. It was found that substitution of chloride ligand (abbreviated in the text as dechlorination reaction) represents energetically and kinetically the most feasible pathway. In the second part the same hydration reaction was explored for reactivity comparison of the Ru(II)‐complexes with several derivatives of nalidixic acid: cinoxacin, ofloxacin, and (thio)nalidixic acid. The hydration process is about four orders of magnitude faster in a basic solution compared to neutral/acidic environment with cinoxacin and nalidixic acid as the most reactive complexes in the former and latter environments, respectively. The explored hydration reaction is in all cases endergonic; nevertheless the endergonicity is substantially lower (by ∼6 kcal/mol) in basic environment. © 2016 Wiley Periodicals, Inc.
Utility of 16S rDNA Sequencing for Identification of Rare Pathogenic Bacteria
Authors: Loong Shih Keng , Khor Chee Sieng , Jafar Faizatul Lela , AbuBakar Sazaly
Published: May 2016

Background

Phenotypic identification systems are established methods for laboratory identification of bacteria causing human infections. Here, the utility of phenotypic identification systems was compared against 16S rDNA identification method on clinical isolates obtained during a 5‐year study period, with special emphasis on isolates that gave unsatisfactory identification.

Methods

One hundred and eighty‐seven clinical bacteria isolates were tested with commercial phenotypic identification systems and 16S rDNA sequencing. Isolate identities determined using phenotypic identification systems and 16S rDNA sequencing were compared for similarity at genus and species level, with 16S rDNA sequencing as the reference method.

Results

Phenotypic identification systems identified ~46% (86/187) of the isolates with identity similar to that identified using 16S rDNA sequencing. Approximately 39% (73/187) and ~15% (28/187) of the isolates showed different genus identity and could not be identified using the phenotypic identification systems, respectively. Both methods succeeded in determining the species identities of 55 isolates; however, only ~69% (38/55) of the isolates matched at species level. 16S rDNA sequencing could not determine the species of ~20% (37/187) of the isolates.

Conclusion

The 16S rDNA sequencing is a useful method over the phenotypic identification systems for the identification of rare and difficult to identify bacteria species. The 16S rDNA sequencing method, however, does have limitation for species‐level identification of some bacteria highlighting the need for better bacterial pathogen identification tools.
Microstructure and mechanical properties of sheep horn
Authors: Zhu Bing , Zhang Ming , Zhao Jian
Published: May 2016

The sheep horn presents outstanding mechanical properties of impact resistance and energy absorption, which suits the need of the vehicle bumper design, but the mechanism behind this phenomenon is less investigated. The microstructure and mechanical properties of the sheep horn of Small Tailed Han Sheep (Ovis aries) living in northeast China were investigated in this article. The effect of sampling position and orientation of the sheep horn sheath on mechanical properties were researched by tensile and compression tests. Meanwhile, the surface morphology and microstructure of the sheep horn were observed using scanning electron microscopy (SEM). The formation mechanism of the mechanical properties of the sheep horn was investigated by biological coupling analysis. The analytical results indicated that the outstanding mechanical properties of the sheep horn are determined by configuration, structure, surface morphology and material coupling elements. These biological coupling elements make the sheep horn possess super characteristics of crashworthiness and energy absorption through the internal coupling mechanism. We suppose that these findings would make a difference in vehicle bumper design. Microsc. Res. Tech. 79:664–674, 2016. © 2016 Wiley Periodicals, Inc.
Microwave Assisted Synthesis of Fused Thiazoles in Multicomponent System and Their in vitro Antitumor, Antioxidant, and Antimicrobial Activities
Authors: El‐Borai Mohamed A. , Rizk Hala F. , Ibrahim Seham A. , El‐Sayed Hatem F.
Published: May 2016

A novel series of thiazolopyrimidines, thiazolopyrimidinones, imidazolothiazoles, and 1‐thiazole‐5‐pyrazolone was synthesized under microwave irradiation. Most of the synthesized compounds were screened in vitro antitumor, antioxidant, and antimicrobial activities.
Theory of the development of curved barbs and their effects on feather morphology
Authors: Feo Teresa J. , Simon Emma , Prum Richard O.
Published: May 2016

Feathers exhibit an extraordinary diversity of shapes, which are used by birds to accomplish a diverse set of functions. Pennaceous feathers have a double branched morphology that develops from a tube of epidermis, and variation in branch geometry determines feather shape. Feather development is both complex (i.e., a simple developmental modification can have multiple effects on mature feather shape), and redundant (i.e., different developmental modifications can create the same shape). Due to this, it is not readily apparent how different feather shapes develop. In many feathers, barbs are not straight, but instead curve in toward, or away, from the feather tip. Barb curvature can affect the shape of mature feathers but the development of curved barbs is unknown. Previous research has hypothesized that barb curvature could develop either during the helical growth of barb ridges in the tubular feather germ, or during barb angle expansion as the feather unfurls from the sheath. To better understand the development of curved barbs and their effects on mature feathers we present a theoretical model of curved barb development and test the model with empirical investigations of feathers. We find that curved barbs affect many aspects of feather morphology including vane width, barb length, and barb spacing. In real feathers, curved barbs can develop both during helical barb ridge growth and during barb angle expansion, with most of the observed curvature due to barb angle expansion. Our results demonstrate that barb angle expansion as a feather unfurls from the sheath is a complex and dynamic process that plays an important role in determining the shape and structure of mature feathers. Curved barbs create heterogeneity in barb geometry within the feather vane, which could have important implications for aerodynamic function and the development of within feather pigmentation patterns. J. Morphol. 277:995–1013, 2016. © 2016 Wiley Periodicals, Inc.
Producing Radical‐Free Hyperpolarized Perfusion Agents for In Vivo Magnetic Resonance Using Spin‐Labeled Thermoresponsive Hydrogel
Authors: Cheng Tian , Mishkovsky Mor , Junk Matthias J. N. , Münnemann Kerstin , Comment Arnaud
Published: May 2016

Dissolution dynamic nuclear polarization (DNP) provides a way to tremendously improve the sensitivity of nuclear magnetic resonance experiments. Once the spins are hyperpolarized by dissolution DNP, the radicals used as polarizing agents become undesirable since their presence is an additional source of nuclear spin relaxation and their toxicity might be an issue. This study demonstrates the feasibility of preparing a hyperpolarized [1‐13C]2‐methylpropan‐2‐ol (tert‐butanol) solution free of persistent radicals by using spin‐labeled thermoresponsive hydrophilic polymer networks as polarizing agents. The hyperpolarized 13C signal can be detected for up to 5 min before the spins fully relax to their thermal equilibrium. This approach extends the applicability of spin‐labeled thermoresponsive hydrogel to the dissolution DNP field and highlights its potential as polarizing agent for preparing neat slowly relaxing contrast agents. The hydrogels are especially suited to hyperpolarize deuterated alcohols which can be used for in vivo perfusion imaging.

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Calculation of Conformational Properties and Rouse Relaxation Times of PAMAM‐EDA Dendrimers under Different pH Conditions
Authors: Freire Juan J. , Rubio Ana M. , McBride Carl
Published: May 2016

A Monte Carlo study has been performed for protonated and non‐protonated coarse‐grained PAMAM‐EDA of generations (G) ranging from 2 to 6. This study calculates sizes, asphericities, and global and external dendrimer density profiles that confirm features previously found in other studies. It is shown that form factors do not change significantly with protonation. Diffusion coefficients, intrinsic viscosities, and Rouse relaxation times are computed as conformational averages. The hydrodynamic properties and their change with protonation are in good agreement with available experimental data. Some differences between the neutral and protonated molecules are noticeable in the case of the relaxation times corresponding to the higher generation numbers (G > 4). These features indicate that pH may play a role in the internal dynamics of dendrimers. The complex modulus curves have also been computed. When in reduced units to discount size effects, the protonation effect is seen to be very small.

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Quantification of a thermal pre‐load on polymer matrix composites by the degradation and colour change of polyurethane top coats
Authors: Eibl S.
Published: May 2016

This work provides techniques to separately determine temperature (90–340 °C) and duration (1 minute to 240 days) of a thermal pre‐load as well as residual strength of polymer matrix composites on basis of the degradation of the top‐coat. Infrared spectroscopy and colorimetry characterizing binder degradation and colour changes of polyurethane top‐coats were used to provide a non‐destructive in‐service method to quantify incipient heat damage. A multivariate (chemometric) analysis of infrared and colorimetric data was performed. The precision of the calculated values for duration and temperature of the thermal pre‐load as well as residual strength for specimen with unknown thermal history is slightly better for the infraredspectroscopic analysis. Deviation of the calculated temperature is less than 10 °C. However, the sole analysis of colorimetric data allows a separate evaluation of these parameters. Limitations of the techniques are identified.
Modeling of phase changes in the metal micro‐domains subjected to ultrafast laser heating using dual‐phase lag equation
Authors: Majchrzak E. , Turchan L.
Published: May 2016

The numerical model of thermal processes proceeding in 3D micro‐domains subjected to the laser pulse is discussed. The temperature distribution is described by the dual‐phase lag equation supplemented by appropriate boundary and initial conditions. The laser heating is taken into account as the internal heat source in the dual‐phase lag equation. The problem is solved using the explicit scheme of the finite difference method. On account of the high laser power the solid‐liquid and liquid‐vapor transformations are modeled and the basic finite difference method is supplemented by the numerical procedures simulating the phase changes. The results of computations are also presented.
Influence of high strain rates on the structure and mechanical properties of high‐manganes austenitic TWIP‐type steel
Authors: Dobrzański L. A. , Borek W. , Mazurkiewicz J.
Published: May 2016

The purpose of this paper is to determine the influence of high strain rates on the structure and mechanical properties of high‐Mn austenitic TWIP steel. Low and high strain deformation rates in the range of 0.001 s–1 to 1000 s–1 have a significant effect on the forming of the structure and mechanical properties of high‐manganese austenitic steel. Also, the strain energy per unit volume of advanced high‐Mn TWIP steel containing Mn, Al and SI, with Nb and Ti microadditions, increases considerably in dynamic conditions. This group of steels not only shows excellent strength, but also excellent formability due to twinning, thereby leading to a unique combination of strength, ductility and formability when compared with conventional dual phase steels or transformation induced plasticity TRIP steels. The microstructure of the investigated steel was determined in metallographic investigations using scanning and high‐resolution transmission electron microscopies (HRTEM). Results obtained in static and dynamic conditions for new developed high‐manganese austenitic steel indicate their possible employment for the constructional elements of vehicles, especially passenger cars, to take advantage of the significant growth of their strain energy per unit volume. This guarantees a reserve of plasticity in the zones of controlled energy absorption during possible collision resulting from the activation of twinning induced by cold working, which may lead to a significant growth of the passive safety of these vehicles' passengers.
Aluminium‐carbon nanotubes composites produced from friction stir processing and selective laser melting
Authors: Du Z. , Tan M. J. , Guo J. F. , Wei J.
Published: May 2016

Aluminium reinforced with multi‐wall carbon nanotubes was produced using friction stir processing and selective laser melting. Very fine grains were successfully achieved in both methods with high Vickers hardness values. Cavities were present in selective laser melting of AlSi10Mg reinforced with multi‐wall carbon nanotubes parts resulting in higher stress concentration brittle fracture appearance. The high laser absorption and higher thermal conductivity of multi‐wall carbon nanotubes resulted in the formation of the cavities in the melted parts. However, the fractography images showed dimpled like appearance indicating a ductile fracture mechanism. Multi‐wall carbon nanotubes were observed at the fracture sites indicating the presence of a crack‐bridging mechanism. In comparison to carbon nanotubes reinforced aluminium by friction stir processing, selective laser melting produces aluminium reinforced aluminium with better mechanical properties.
The italian limb girdle muscular dystrophy registry: Relative frequency, clinical features, and differential diagnosis
Authors: Magri Francesca , Nigro Vincenzo , Angelini Corrado , Mongini Tiziana , Mora Marina , Moroni Isabella , Toscano Antonio , D'angelo Maria Grazia , Tomelleri Giuliano , Siciliano Gabriele , Ricci Giulia , Bruno Claudio , Corti Stefania , Musumeci Olimpia , Tasca Giorgio , Ricci Enzo , Monforte Mauro , Sciacco Monica , Fiorillo Chiara , Gandossini Sandra , Minetti Carlo , Morandi Lucia , Savarese Marco , Fruscio Giuseppina Di , Semplicini Claudio , Pegoraro Elena , Govoni Alessandra , Brusa Roberta , Del Bo Roberto , Ronchi Dario , Moggio Maurizio , Bresolin Nereo , Comi Giacomo Pietro
Published: May 2016

Introduction: Limb girdle muscular dystrophies (LGMDs) are characterized by high molecular heterogeneity, clinical overlap, and a paucity of specific biomarkers. Their molecular definition is fundamental for prognostic and therapeutic purposes. Methods: We created an Italian LGMD registry that included 370 molecularly defined patients. We reviewed detailed retrospective and prospective data and compared each LGMD subtype for differential diagnosis purposes. Results: LGMD types 2A and 2B are the most frequent forms in Italy. The ages at disease onset, clinical progression, and cardiac and respiratory involvement can vary greatly between each LGMD subtype. In a set of extensively studied patients, targeted next‐generation sequencing (NGS) identified mutations in 36.5% of cases. Conclusion: Detailed clinical characterization combined with muscle tissue analysis is fundamental to guide differential diagnosis and to address molecular tests. NGS is useful for diagnosing forms without specific biomarkers, although, at least in our study cohort, several LGMD disease mechanisms remain to be identified. Muscle Nerve 55: 55–68, 2017
The Role of Leukapheresis in the Current Management of Hyperleukocytosis in Newly Diagnosed Childhood Acute Lymphoblastic Leukemia
Authors: Nguyen Rosa , Jeha Sima , Zhou Yinmei , Cao Xueyuan , Cheng Cheng , Bhojwani Deepa , Campbell Patrick , Howard Scott C. , Rubnitz Jeffrey , Ribeiro Raul C. , Sandlund John T. , Gruber Tanja , Inaba Hiroto , Pui Ching‐Hon , Metzger Monika L.
Published: May 2016

Background

Hyperleukocytosis in children with acute lymphoblastic leukemia (ALL) has been associated with early morbidity and mortality. The use of leukapheresis in these children treated with contemporary therapy remains controversial.

Procedure

We analyzed clinical data from patients enrolled onto frontline protocols for ALL (Total Therapy XV and XVI) between 2003 and 2014. We documented adverse events within the first 14 days in patients with a white blood cell (WBC) count ≥200 × 109/l and reviewed their management.

Results

Fifty‐three (7.8%) of 678 consecutive pediatric patients with newly diagnosed ALL presented with hyperleukocytosis (median WBC count 393 × 109/l; range 200–1,014). Two deaths in patients without initial hyperleukocytosis occurred within the first 2 weeks from diagnosis secondary to bacterial sepsis. A total of 21 (40%) patients with ALL and hyperleukocytosis developed grade 3 or 4 adverse events regardless of the use of leukapheresis (P > 0.99 and P = 0.19). Sixteen of 53 (30%) patients with ALL received low‐dose chemotherapy for leukocytoreduction initially. One‐third of patients received urate oxidase, and none of the patients with hyperleukocytosis required hemodialysis.

Conclusions

The early morbidity and mortality commonly associated with hyperleukocytosis in children with newly diagnosed ALL can be avoided with contemporary supportive care and conservative management possibly obviating the need for costly and potentially dangerous leukapheresis.
Polymerization of epoxide with hydroxylamides as thermally latent initiators
Authors: Wang Yanmei , Kimura Mika , Sudo Atsushi , Endo Takeshi
Published: May 2016

A new class of thermally latent initiators for the ring‐opening polymerization of epoxides has been developed. The latent initiators developed herein were the hydroxylamides 1a, 1b, and 1c, which were synthesized from phthalide, 3‐isochromanone, and cis‐cyclohexahydrophthalide, respectively, by their ring‐opening reactions with pyrrolidine. These hydroxylamides were designed so that their hydroxyl groups could attack the amide moiety intramolecularly upon heating, leading to ring closure and formation of the corresponding lactones while releasing pyrrolidine, the initiator for the anionic ring‐opening polymerization of an epoxide. The temperatures at which this thermal dissociation occurred were strongly dependent on the hydroxylamide molecular structure. When using the hydroxylamides as thermally latent initiators, the polymerizations of bisphenol‐A diglycidyl ether were investigated at various temperatures. This investigation clarified that the threshold temperature, that is, the temperature at which polymerization was initiated, increased in the order of 1a, 1b, and then 1c. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016, 54, 2611–2617
Poly(aryl ether ketone) composite membrane as a high‐performance lithium‐ion batteries separator
Authors: Xie Min , Yin Mingying , Nie Guangdi , Wang Jun , Wang Ce , Chao Danming , Liu Xincai
Published: May 2016

We described the design and synthesis of a modified poly(aryl ether ketone) bearing phenolphthalein and allyl groups (P‐PAEK) via nucleophilic polycondensation. A new kind of composite separator, crosslinked P‐PAEK/polyvinylidene fluoride (c‐P‐PAEK/PVDF) membrane was successfully prepared using phase separation, phase inversion method, and UV crosslinking technique. As a separator of lithium‐ion battery, c‐P‐PAEK/PVDF membrane demonstrates high porosity and uniform distribution of pores with interconnected pathways. Low thermal shrinkage, distinct shut‐down effect, high liquid electrolyte uptake capacity, and exciting liquid electrolyte wettability of the prepared c‐P‐PAEK/PVDF membrane have been revealed through comprehensive study. Moreover, the c‐P‐PAEK/PVDF membrane was applied to assemble a conventional Li/LiFePO4 coin cell, which exhibited hopeful cell performance. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016, 54, 2714–2721
Dual roles for promoting monomers to polymers: A conjugated sulfonium salt photoacid generator as photoinitiator and photosensitizer in cationic photopolymerization
Authors: Jin Ming , Wu Xingyu , Malval Jean Pierre , Wan Decheng , Pu Hongting
Published: May 2016

An efficient strategy for comprehensive utilization of the conjugated sulfonium salt photoacid generator (PAG), namely, 3‐{4‐[4‐(4‐N,N′‐diphenylamino)‐styryl]phenyl}phenyl dimethyl sulfonium hexafluoroantimonate, was developed through photoinitiated cationic photopolymerization (CP) of epoxides and vinyl ether upon exposure to near‐UV and visible light‐emitting diodes (LEDs; e.g., 365, 385, 405, and 425 nm). Photochemical mechanisms were investigated by UV–vis spectra, molecular orbital calculations, fluorescence, cyclic voltammetry, and electron spin resonance spin‐trapping analyses. Compared with commercial PAGs, the prepared conjugated sulfonium salt generated H+, which can be used as photoinitiator. Moreover, the fluorescent byproducts from photodecomposition can be used as photosensitizer of commercial iodonium salt in the photoinitiating systems of CP. These novel D‐π‐A type sulfonium‐based photoinitiating systems are efficient (epoxide conversion = 85–90% and vinyl conversion >90%; LEDs upon exposure to 365–425 nm) even in low‐concentration initiators (1%, w/w) and low curing light intensities (10–40 mW cm−2). © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016, 54, 2722–2730
Detecting domain‐flux botnet based on DNS traffic features in managed network
Authors: Truong Dinh‐Tu , Cheng Guang
Published: May 2016

Modern botnets such as Zeus and Conficker commonly utilize a technique called domain fluxing or a domain generation algorithm to generate a large number of pseudo‐random domain names (PDNs) dynamically for botnet operators to control their bots. These botnets are becoming one of the most serious threats to Internet security on a global scale. How to prevent their destructive action is one of the most pressing issues of today. In this paper, we focus on detecting domain‐flux botnets within the monitored network based on Domain Name System (DNS) traffic features. This method passively captures all DNS traffic from the gateway of a monitored network and then extracts key features to identify PDN. Based on examining and analyzing a large number of legitimate domains as well as PDN generated by botnets, we have discovered that there is a discernible bias in the rules for constructing domain names. Therefore, we introduce a methodology that analyzes DNS traffic to extract the length and the expected value, which can distinguish between a domain name generated by humans or bots. In order to evaluate the effectiveness of the proposed approach, various machine learning algorithms are applied to train predictive models for our detection system. This proposed scheme is implemented and tested in a real local area network. The experimental results show that our proposed method achieves the highest detective efficiency for decision tree algorithms (J48) with an average overall accuracy of up to 92.3% and a false positive rate of 4.8%. Copyright © 2016 John Wiley & Sons, Ltd.
The politicization of climate change: problem or solution?
Authors: Pepermans Yves , Maeseele Pieter
Published: May 2016

In the academic literature, two perspectives can be distinguished regarding the climate debate. The dominant consensus‐building perspective problematizes the politicization of climate change as an important barrier to climate action and resultantly sets out to develop depoliticizing communication strategies which foster social consensus and public engagement. In contrast to this, the critical debate perspective problematizes climate change's capture in a depoliticized consensus and calls for its repoliticization to revive democratic debate and citizenship. The aim of this article is twofold. First, we will distinguish both perspectives on the basis of their diverging problem diagnoses and recommendations. Second, we will argue how only the critical debate perspective provides the tools for transformative socioecological change based on both democratic debate and democratic citizenship. We conclude by discussing how this divergence is reflective of a larger split in the social sciences between problem‐solving and critical theory and how social scientists could contribute to democratic debate and citizenship. WIREs Clim Change 2016, 7:478–485. doi: 10.1002/wcc.405

This article is categorized under:

Social Status of Climate Change Knowledge > Sociology/Anthropology of Climate Knowledge
Cost-Benefit Analysis, Who’s Your Daddy?
Authors: Sunstein Cass R.
Published: May 2016

If policymakers could measure the actual welfare effects of regulations, and if they had a properly capacious sense of welfare, they would not need to resort to cost-benefit analysis, which gives undue weight to some values and insufficient weight to others. Surveys of self-reported well-being provide valuable information, but it is not yet possible to “map” regulatory consequences onto well-being scales. It follows that at the present time, self-reported well-being cannot be used to assess the welfare effects of regulations. Nonetheless, greatly improved understandings are inevitable, and current findings with respect to reported well-being – above all the serious adverse effects of unemployment – deserve to play a role in regulatory policymaking.
Pressure wave generation from perturbed premixed flames
Authors: Blanchard Mathieu , Schmid Peter J. , Sipp Denis , Schuller Thierry
Published: May 2016

Numerical simulations and perturbation analysis of a radially imploding laminar premixed flame are used to study the mechanisms responsible for the generation of pressure fluctuations at flame fronts for various Lewis numbers. The relative importance of mechanisms based on unsteady heat release and on vorticity is investigated using an optimization methodology. Particular attention is paid to the influence of non-axisymmetric conditions and local flame curvature. It is shown that vorticity-based noise generation prevails for high-wavenumber, non-axisymmetric disturbances at all curvatures, while heat-release-driven noise generation dominates the axisymmetric and low-wavenumber regimes. These results indicate that short-wavelength vorticity waves actively participate in flame acoustic activity and can surpass acoustic output mechanisms based on heat-release fluctuations in the vicinity of the flame front.
The great trilemma: are globalization, democracy, and sovereignty compatible?
Authors: Stein Arthur A.
Published: May 2016

Current economic and political developments spotlight the relationship between domestic and global governance and the impact of globalization on both. A key question is whether a sovereign state system, democratic governments, and an integrated global marketplace can coexist. The paper assesses analytic materialist arguments for their incompatibility and the key assumptions on which they rest. The paper describes the extant pressures operating to limit each of the three: how sovereignty and democracy work to constrain globalization, how globalization and sovereignty generate a democratic deficit, and how globalization and democracy lead to limitations upon, and even the transcendence of, sovereignty. How to make the three compatible, and failing that, which facet to restrain, characterizes political contestation in a globalizing age. Global and domestic governance reflect the need to reconcile the combined implications of globalization, sovereignty, and democracy, and to do so by restraining, limiting, or transforming one or more of these features.
Robert L. “Bob” Carovillano (1932–2015)
Authors: Eather Robert , Maguire Jack , Carovillano Rebecca
Published: May 2016

As a theoretical physicist, he contributed strongly to magnetospheric and space physics since the 1960s, both in research and as a program leader at Boston College and NASA.
Exposure to organochlorine pesticides and non-Hodgkin lymphoma: a meta-analysis of observational studies
Authors: Luo Dan , Zhou Tingting , Tao Yun , Feng Yaqian , Shen Xiaoli , Mei Surong
Published: May 2016

Growing evidence indicates that exposure to organochlorine pesticides (OCPs) could increase non-Hodgkin lymphoma (NHL) risk. However, results from epidemiological studies investigating this association remain controversial. We thus conducted a meta-analysis to quantitatively evaluate the association between OCP exposure and NHL risk. Relevant publications were searched in PubMed, Web of Science and Embase and identified according to the inclusion criteria. Thirteen studies (6 nested case-control, 1 case-cohort and 6 case-control) were selected for this meta-analysis. We used odds ratios (ORs) with 95% confidence intervals (CIs) to estimate the relationship between OCPs exposure and NHL risk. The summary OR for included studies was 1.40 (95% CI 1.27 to 1.56). No overall significant heterogeneity in the OR was observed (Ph = 0.253, I2 = 12.6%). Furthermore, OR estimates in subgroup analyses were discussed and strong associations were observed for dichlorodiphenyldichloroethylene (DDE, OR = 1.38, 95% CI 1.14 to 1.66), hexachlorocyclohexane (HCH, OR = 1.42, 95% CI 1.08 to 1.87), chlordane (OR = 1.93, 95% CI 1.51 to 2.48) and hexachlorobenzene (HCB, OR = 1.54, 95% CI 1.20 to 1.99). This meta-analysis had suggested that total OCPs of interest was significantly positively associated with NHL risk.
Mice with Dab1 or Vldlr insufficiency exhibit abnormal neonatal vocalization patterns
Authors: Fraley E. R. , Burkett Z. D. , Day N. F. , Schwartz B. A. , Phelps P. E. , White S. A.
Published: May 2016

Genetic and epigenetic changes in components of the Reelin-signaling pathway (RELN, DAB1) are associated with autism spectrum disorder (ASD) risk. Social communication deficits are a key component of the ASD diagnostic criteria, but the underlying neurogenetic mechanisms remain unknown. Reln insufficient mice exhibit ASD-like behavioral phenotypes including altered neonatal vocalization patterns. Reelin affects multiple pathways including through the receptors, Very low-density lipoprotein receptor (Vldlr), Apolipoprotein receptor 2 (Apoer2) and intracellular signaling molecule Disabled-1 (Dab1). As Vldlr was previously implicated in avian vocalization, here we investigate vocalizations of neonatal mice with a reduction or absence of these components of the Reelin-signaling pathway. Mice with low or no Dab1 expression exhibited reduced calling rates, altered call-type usage and differential vocal development trajectories. Mice lacking Vldlr expression also had altered call repertoires and this effect was exacerbated by deficiency in Apoer2. Together with previous findings, these observations 1) solidify a role for Reelin in vocal communication of multiple species, 2) point to the canonical Reelin-signaling pathway as critical for development of normal neonatal calling patterns in mice and 3) suggest that mutants in this pathway could be used as murine models for Reelin-associated vocal deficits in humans.
Nuclease Footprints in Sperm Project Past and Future Chromatin Regulatory Events
Authors: Johnson Graham D. , Jodar Meritxell , Pique-Regi Roger , Krawetz Stephen A.
Published: May 2016

Nuclear remodeling to a condensed state is a hallmark of spermatogenesis. This is achieved by replacement of histones with protamines. Regions retaining nucleosomes may be of functional significance. To determine their potential roles, sperm from wild type and transgenic mice harboring a single copy insert of the human protamine cluster were subjected to Micrococcal Nuclease-seq. CENTIPEDE, a hierarchical Bayesian model, was used to identify multiple spatial patterns, "footprints", of MNase-seq reads along the sperm genome. Regions predicted by CENTIPEDE analysis to be bound by a regulatory factor in sperm were correlated with genomic landmarks and higher order chromatin structure datasets to identify potential roles for these factors in regulating either prior or post spermatogenic, i.e., early embryonic events. This approach linked robust endogenous protamine transcription and transgene suppression to its chromatin environment within topologically associated domains. Of the candidate enhancer-bound regulatory proteins, Ctcf, was associated with chromatin domain boundaries in testes and embryonic stem cells. The continuity of Ctcf binding through the murine germline may permit rapid reconstitution of chromatin organization following fertilization. This likely reflects its preparation for early zygotic genome activation and comparatively accelerated preimplantation embryonic development program observed in mouse as compared to human and bull.
Prospect of quantum anomalous Hall and quantum spin Hall effect in doped kagome lattice Mott insulators
Authors: Guterding Daniel , Jeschke Harald O. , Valentí Roser
Published: May 2016

Electronic states with non-trivial topology host a number of novel phenomena with potential for revolutionizing information technology. The quantum anomalous Hall effect provides spin-polarized dissipation-free transport of electrons, while the quantum spin Hall effect in combination with superconductivity has been proposed as the basis for realizing decoherence-free quantum computing. We introduce a new strategy for realizing these effects, namely by hole and electron doping kagome lattice Mott insulators through, for instance, chemical substitution. As an example, we apply this new approach to the natural mineral herbertsmithite. We prove the feasibility of the proposed modifications by performing ab-initio density functional theory calculations and demonstrate the occurrence of the predicted effects using realistic models. Our results herald a new family of quantum anomalous Hall and quantum spin Hall insulators at affordable energy/temperature scales based on kagome lattices of transition metal ions.
H3O+ tetrahedron induction in large negative linear compressibility
Authors: Wang Hui , Feng Min , Wang Yu-Fang , Gu Zhi-Yuan
Published: May 2016

Despite the rarity, large negative linear compressibility (NLC) was observed in metal-organic framework material Zn(HO3PC4H8PO3H)∙2H2O (ZAG-4) in experiment. We find a unique NLC mechanism in ZAG-4 based on first-principle calculations. The key component to realize its large NLC is the deformation of H3O+ tetrahedron. With pressure increase, the oxygen apex approaches and then is inserted into the tetrahedron base (hydrogen triangle). The tetrahedron base subsequently expands, which results in the b axis expansion. After that, the oxygen apex penetrates the tetrahedron base and the b axis contracts. The negative and positive linear compressibility is well reproduced by the hexagonal model and ZAG-4 is the first MOFs evolving from non re-entrant to re-entrant hexagon framework with pressure increase. This gives a new approach to explore and design NLC materials.
Krüppel homolog 1 and E93 mediate Juvenile hormone regulation of metamorphosis in the common bed bug, Cimex lectularius
Authors: Gujar Hemant , Palli Subba Reddy
Published: May 2016

The common bed bug is an obligate hematophagous parasite of humans. We studied the regulation of molting and metamorphosis in bed bugs with a goal to identify key players involved. qRT-PCR studies on the expression of genes known to be involved in molting and metamorphosis showed high levels of Krüppel homolog 1 [Kr-h1, a transcription factor that plays key roles in juvenile hormone (JH) action] mRNA in the penultimate nymphal stage (N4). However, low levels of Kr-h1 mRNA were detected in the fifth and last nymphal stage (N5). Knockdown of Kr-h1 in N4 resulted in a precocious development of adult structures. Kr-h1 maintains the immature stage by suppressing E93 (early ecdysone response gene) in N4. E93 expression increases during the N5 in the absence of Kr-h1 and promotes the development of adult structures. Knockdown of E93 in N5 results in the formation of supernumerary nymphs. The role of JH in the suppression of adult structures through interaction with Kr-h1 and E93 was also studied by the topical application of JH analog, methoprene, to N5. Methoprene induced Kr-h1 and suppressed E93 and induced formation of the supernumerary nymph. These data show interactions between Kr-h1, E93 and JH in the regulation of metamorphosis in the bed bugs.
The rice thylakoid membrane-bound ascorbate peroxidase OsAPX8 functions in tolerance to bacterial blight
Authors: Jiang Guanghuai , Yin Dedong , Zhao Jiying , Chen Honglin , Guo Lequn , Zhu Lihuang , Zhai Wenxue
Published: May 2016

Thylakoid membrane-bound ascorbate peroxidase (tAPX) is a major H2O2-scavenging enzyme. To clarify its functions in tolerance to rice bacterial blight, we produced rice lines overexpressing and suppressing tAPX (OsAPX8). The overexpressing lines exhibited increased tolerance to bacterial pathogen. The RNA interference (RNAi) lines were considerably more sensitive than the control plant. Further analysis of the H2O2 content in these transgenic plants indicated that the H2O2 accumulation of OsAPX8-overexpressing plants was considerably less than that of wild-type and RNAi plants upon challenge with bacterial pathogen. Interestingly, H2O2 was the most important factor for the serious leaf dehydration and withering of rice without major resistance genes and was not the cause of hypersensitivity. It addition, wall tightening or loosening can occur according to the level of H2O2. In addition, OsAPX8 interacted with the susceptibility protein Os8N3/Xa13, and their binding repressed the reaction of OsAPX8 in tolerance to bacterial blight.
Loss of ubiquitin E2 Ube2w rescues hypersensitivity of Rnf4 mutant cells to DNA damage
Authors: Maure Jean-François , Moser Sandra C. , Jaffray Ellis G. , F. Alpi Arno , Hay Ronald T.
Published: May 2016

SUMO and ubiquitin play important roles in the response of cells to DNA damage. These pathways are linked by the SUMO Targeted ubiquitin Ligase Rnf4 that catalyses transfer of ubiquitin from a ubiquitin loaded E2 conjugating enzyme to a polySUMO modified substrate. Rnf4 can functionally interact with multiple E2s, including Ube2w, in vitro. Chicken cells lacking Rnf4 are hypersensitive to hyroxyurea, DNA alkylating drugs and DNA crosslinking agents, but this sensitivity is suppressed by simultaneous depletion of Ube2w. Cells depleted of Ube2w alone are not hypersensitive to the same DNA damaging agents. Similar results were also obtained in human cells. These data indicate that Ube2w does not have an essential role in the DNA damage response, but is deleterious in the absence of Rnf4. Thus, although Rnf4 and Ube2w functionally interact in vitro, our genetic experiments indicate that in response to DNA damage Ube2w and Rnf4 function in distinct pathways.
Self-current induced spin-orbit torque in FeMn/Pt multilayers
Authors: Xu Yanjun , Yang Yumeng , Yao Kui , Xu Baoxi , Wu Yihong
Published: May 2016

Extensive efforts have been devoted to the study of spin-orbit torque in ferromagnetic metal/heavy metal bilayers and exploitation of it for magnetization switching using an in-plane current. As the spin-orbit torque is inversely proportional to the thickness of the ferromagnetic layer, sizable effect has only been realized in bilayers with an ultrathin ferromagnetic layer. Here we demonstrate that, by stacking ultrathin Pt and FeMn alternately, both ferromagnetic properties and current induced spin-orbit torque can be achieved in FeMn/Pt multilayers without any constraint on its total thickness. The critical behavior of these multilayers follows closely three-dimensional Heisenberg model with a finite Curie temperature distribution. The spin torque effective field is about 4 times larger than that of NiFe/Pt bilayer with a same equivalent NiFe thickness. The self-current generated spin torque is able to switch the magnetization reversibly without the need for an external field or a thick heavy metal layer. The removal of both thickness constraint and necessity of using an adjacent heavy metal layer opens new possibilities for exploiting spin-orbit torque for practical applications.
Effects of acute aerobic exercise on neural correlates of attention and inhibition in adolescents with bipolar disorder
Authors: Metcalfe A W S , MacIntosh B J , Scavone A , Ou X , Korczak D , Goldstein B I
Published: May 2016

Executive dysfunction is common during and between mood episodes in bipolar disorder (BD), causing social and functional impairment. This study investigated the effect of acute exercise on adolescents with BD and healthy control subjects (HC) to test for positive or negative consequences on neural response during an executive task. Fifty adolescents (mean age 16.54±1.47 years, 56% female, 30 with BD) completed an attention and response inhibition task before and after 20 min of recumbent cycling at ~70% of age-predicted maximum heart rate. 3 T functional magnetic resonance imaging data were analyzed in a whole brain voxel-wise analysis and as regions of interest (ROI), examining Go and NoGo response events. In the whole brain analysis of Go trials, exercise had larger effect in BD vs HC throughout ventral prefrontal cortex, amygdala and hippocampus; the profile of these effects was of greater disengagement after exercise. Pre-exercise ROI analysis confirmed this 'deficit in deactivation' for BDs in rostral ACC and found an activation deficit on NoGo errors in accumbens. Pre-exercise accumbens NoGo error activity correlated with depression symptoms and Go activity with mania symptoms; no correlations were present after exercise. Performance was matched to controls and results survived a series of covariate analyses. This study provides evidence that acute aerobic exercise transiently changes neural response during an executive task among adolescents with BD, and that pre-exercise relationships between symptoms and neural response are absent after exercise. Acute aerobic exercise constitutes a biological probe that may provide insights regarding pathophysiology and treatment of BD.
Optimization and validation of an inductively coupled atomic emission spectrometry method for macro- and trace element determination in berry fruit samples
Authors: Nikolić Milena , Pavlović Aleksandra , Mitić Snežana , Tošić Snežana , Marinković Emilija Pecev , Đorđević Miodrag , Micić Ružica
Published: May 2016

Evaluation of an ICP-AES method that considers plasma robustness and matrix effects for the determination of metals in berry fruits.
Porous membrane strip microsampling: a dried biofluid collection format and application for quantitative enzyme immunoassay
Authors: Samsonova Jeanne V. , Chadina Anastasia D. , Osipov Alexander P. , Kondakov Sergey E.
Published: May 2016

Applicability of a new and simple membrane-strip microsampling format for the analysis of human blood serum in a strip-dried form for the presence of a range of model low and high molecular weight analytes by ELISA was demonstrated.
Interaction of water with (silico)aluminophosphate zeotypes: a comparative investigation using dispersion-corrected DFT
Authors: Fischer Michael
Published: May 2016

The adsorption of water in six structurally different aluminophosphates and their silicoaluminophosphate analogues is investigated using dispersion-corrected density-functional theory calculations. In addition to predicting the interaction energies, the structural changes of the materials upon water adsorption are assessed.
Insight into the reaction mechanisms for oxidative addition of strong σ bonds to an Al(i) center
Authors: Zhang Xiangfei , Cao Zexing
Published: May 2016

The oxidative additions of σ X–H bonds to an Al(i) center follow different mechanisms depending on their bonding features and local structural environments.
Novel zirconium complexes with constrained cyclic β-enaminoketonato ligands: improved catalytic capability toward ethylene polymerization
Authors: Wang Kai-Ti , Wang Yong-Xia , Wang Bin , Li Yan-Guo , Li Yue-Sheng
Published: May 2016

The synthesized bis(β-enaminoketonato) zirconium complexes bearing a cyclic skeleton exhibited improved capabilities toward ethylene polymerization even at high temperatures.
Advances in the development of complexes that contain a group 13 element chalcogen multiple bond
Authors: Franz Daniel , Inoue Shigeyoshi
Published: May 2016

The advances in the synthesis and isolation of complexes that contain a group 13 element chalcogen multiple bond are accounted for.
Single-molecule magnet behavior in an octanuclear dysprosium(iii) aggregate inherited from helical triangular Dy3SMM-building blocks
Authors: Zhang Li , Zhang Peng , Zhao Lang , Wu Jianfeng , Guo Mei , Tang Jinkui
Published: May 2016

A novel supramolecular octanuclear dysprosium(iii) cluster coupling two original helical Dy3SMM-building blocks is isolated and shows typical SMM behavior under zero dc field inherited from its Dy3helical precursor.
Emerging investigators series: the efficacy of chlorine photolysis as an advanced oxidation process for drinking water treatment
Authors: Remucal C. K. , Manley D.
Published: May 2016

The photolysis of hypochlorous acid (HOCl) and hypochlorite (OCl−) produces a suite of reactive oxidants, including hydroxyl radicals (˙OH), chlorine radicals (Cl˙), and ozone (O3).
Nano-particle analysis using dwell times between 10 μs and 70 μs with an upper counting limit of greater than 3 × 107 cps and a gold nanoparticle detection limit of less than 10 nm diameter
Authors: Shaw P. , Donard A.
Published: May 2016

A high sensitivity magnetic sector ICP-MS has been used in single particle mode with microsecond dwell times and particle detection limits of <10 nm.
Studies towards the synthesis of tedanolide C. Construction of the C13-epi C1–C15 fragment
Authors: Zambrana Joana , Romea Pedro , Urpí Fèlix
Published: May 2016

An advanced intermediate on route towards tedanolide C has been synthesized using highly stereoselective substrate-controlled titanium-mediated aldol reactions.
Smart polymers in drug delivery: a biological perspective
Authors: Hunter A. Christy , Moghimi S. Moein
Published: May 2016

Key to the widespread application of smart polymers in drug delivery is understanding the mechanistic interplay, as well as consequence, of the presence of these macromolecules within living systems.
Electrospun gelatin nanofibers loaded with vitamins A and E as antibacterial wound dressing materials
Authors: Li Heyu , Wang Maochun , Williams Gareth R. , Wu Junzi , Sun Xiaozhu , Lv Yao , Zhu Li-Min
Published: May 2016

Illustration showing the fabrication process and test contents of electrospun gelatin nanofibers loaded with vitamins A and E as wound dressing materials in this paper.
Photoacoustic induced surface acoustic wave sensor for concurrent opto-mechanical microfluidic sensing of dyes and plasmonic nanoparticles
Authors: Kishor Rahul , Gao Fei , Sreejith Sivaramapanicker , Feng Xiaohua , Seah Yen Peng , Wang Zhenfeng , Stuparu Mihaiela Corina , Lim Teik-Thye , Chen Xiaodong , Zheng Yuanjin
Published: May 2016

An integrated surface acoustic wave-photoacoustic (SAW-PA) sensor platform is reported for couplant-free, simultaneous optical and mechanical characterization of dyes and plasmonic nanoparticles flowing through a microchannel.