bluuebunny/crossref_metadata_2025 huggingface dataset:
Hybrid inhalable microparticles for dual controlled release of levofloxacin and DNase: physicochemical characterization and in vivo targeted delivery to the lungs
Authors: Islan G. A. , Ruiz M. E. , Morales J. F. , Sbaraglini M. L. , Enrique A. V. , Burton G. , Talevi A. , Bruno-Blanch L. E. , Castro G. R.
Published: March 2017

Current medical treatments against recurrent pulmonary infections caused byPseudomonas aeruginosa, such as cystic fibrosis (CF) disorder, involve the administration of inhalable antibiotics.
Efficient syntheses of 3-hydroxyimino-1-isoindolinones and 3-methylene-1-isoindolinones via Cu-promoted C–H activation–nitroalkylation–intramolecular cyclization tandem processes
Authors: Yu Lin , Huang Hang , Chen Xiang , Hu Liang , Yu Yongqi , Tan Ze
Published: March 2017

Efficient and selective syntheses of 3-hydroxyimino-1-isoindolinones and 3-methylene-1-isoindolinones were achieved via 8-aminoquinoline assisted Cu-promoted coupling of benzamides with nitroalkanes.
Photoelectrochemical dimethoxylation of furan via a bromide redox mediator using a BiVO4/WO3 photoanode
Authors: Tateno H. , Miseki Y. , Sayama K.
Published: March 2017

Photoelectrochemical dimethoxylation of furan with methanol using a BiVO4/WO3 photoanode and Br+/Br− as a mediator was demonstrated with low applied potential.
Polyfluoroarylation of oxazolones: access to non-natural fluorinated amino acids
Authors: Teegardin Kip A. , Weaver Jimmie D.
Published: March 2017

Herein, we demonstrate the use of the oxazolone enolate to access non-natural fluorinated amino acid derivatives.
An overview of the performance of the COSMO-RS approach in predicting the activity coefficients of molecular solutes in ionic liquids and derived properties at infinite dilution
Authors: Paduszyński Kamil
Published: March 2017

An overview of performance of state-of-the-art thermodynamic model COSMO-RS in capturing various effects of structure on interactions in ionic liquid binary systems, expressed in terms of limiting activity coefficients of molecular solutes, is presented.
The mechanism of the Ser-(cis)Ser-Lys catalytic triad of peptide amidases
Authors: Cerqueira N. M. F. S. A. , Moorthy H. , Fernandes P. A. , Ramos M. J.
Published: March 2017

In this paper, we report a theoretical investigation of the catalytic mechanism of peptide amidases that involve a Ser-(cis)Ser-Lys catalytic triad.
Comparative study of non-covalent interactions between cationic N-phenylviologens and halides by electrochemistry and NMR: the halogen bonding effect
Authors: Creste Geordie , Groni Sihem , Fave Claire , Branca Mathieu , Schöllhorn Bernd
Published: March 2017

Five N-phenylviologen (PV2+) derivatives have been synthesized and their electrochemical behavior in the presence of halide anions has been studied. Further investigations were carried out by 1H and 19F NMR spectroscopy at different chloride concentrations. This is the first time a systematic study combines cyclic voltammetry and NMR spectroscopy in order to analyse the contribution of halogen bonding among the various non-covalent interactions between iodinated N-phenylviologens. The results show strong evidence for a significant “halogen bonding effect” in the interaction between halides and the iodo-tetrafluoro-phenylviologen PV2+-C6F4I. A significant influence of halogen bonding on reduction potentials of the novel halogen bond donor PV2+-C6F4I has been evidenced resulting in the first example of “inverse redox switching” of an XB-donor being partially deactivated upon reduction. Furthermore the particular binding properties of the perfluorinated derivative PV2+-C6F5 towards chloride are discussed considering a possible contribution of π–anion interaction in solution.
Hexaaryl-carbo-benzenes revisited: a novel synthetic route, crystallographic data, and prospects of electrochemical behavior
Authors: Zhu Chongwei , Duhayon Carine , Romero-Borja Daniel , Maldonado José-Luis , Ramos-Ortíz Gabriel , Saquet Alix , Maraval Valerie , Chauvin Remi
Published: March 2017

Hexaphenyl-carbo-benzene and a substituted homologue were prepared via an efficient route, and characterized by crystallography and voltammetry with the view of studying charge transport properties within thin films.
Unusual cis and trans architecture of dihydrofunctional double-decker shaped silsesquioxane and synthesis of its ethyl bridged π-conjugated arene derivatives
Authors: Walczak M. , Januszewski R. , Majchrzak M. , Kubicki M. , Dudziec B. , Marciniec B.
Published: March 2017

An original family of well-defined molecular and macromolecular double-decker silsesquioxane derivatives with ethyl bridged π-conjugated arenes is obtained via hydrosilylation reaction.
Mechanistic investigation of Rh(i)-catalyzed alkyne–isatin decarbonylative coupling
Authors: Deng Jiaojiao , Wen Xiuling , Li Juan
Published: March 2017

Theoretical studies reveal the ligand role in the Rh(i)-catalyzed alkyne–isatin decarbonylative coupling and account for the origin of chemo- and region-selectivity.
Reversible bidirectional bending of hydrogel-based bilayer actuators
Authors: Li Xue , Cai Xiangbin , Gao Yongfeng , Serpe Michael J.
Published: March 2017

Semi-IPN hydrogel-based bilayers were fabricated and exhibited unique bidirectional bending behavior in response to solution temperature and pH, which is vastly different from what is observed for bilayers composed of only conventional hydrogels.
Caveat emptor: for researchers, a rose will not smell sweet unless we know its composition
Authors: Adams Josephine C.
Published: March 2017

In a recent publication in Bioscience Reports “Contaminants in commercial preparations of ‘purified’ small leucine-rich proteoglycans may distort mechanistic studies”, Brown et al. identified by mass spectrometry and immunoblotting that certain commercial preparations of the small leucine-rich proteoglycans (SLRPs) decorin and biglycan, in fact, contained a mix of several proteoglycans that also included fibromodulin and aggrecan. The preparations were thus not suitable to study specific activities of decorin or biglycan. Decorin and biglycan are widely studied SLRPs that are considered to have highly multi-functional effects on cells. Decorin is of interest as a transforming growth factor-β antagonist and is also finding use in tissue engineering materials. This Commentary discusses Brown et al.’s findings and general issues raised for researchers who work with commercially sourced purified proteoglycans.
Vibration and noise characteristics of the inductive filtering converter transformer
Authors: Liu Junhua , Luo Longfu
Published: March 2017

Harmonic magnetic fluxes in transformer's core and harmonic currents in grid‐side winding can be restrained via the inductive filtering technology. Vibration and abating noise of the core caused by the harmonic magnetic fluxes are controlled at the source, and has a good effect in reducing vibration and abating noise of the grid‐side winding. Vibration and noise characteristics of the inductive filtering converter transformer are tested under load. The experimental results verify this theory.
The earliest phases of high-mass star formation, as seen in NGC 6334 by Herschel-HOBYS
Authors: Tigé J. , Motte F. , Russeil D. , Zavagno A. , Hennemann M. , Schneider N. , Hill T. , Nguyen Luong Q. , Di Francesco J. , Bontemps S. , Louvet F. , Didelon P. , Könyves V. , André Ph. , Leuleu G. , Bardagi J. , Anderson L. D. , Arzoumanian D. , Benedettini M. , Bernard J.-P. , Elia D. , Figueira M. , Kirk J. , Martin P. G. , Minier V. , Molinari S. , Nony T. , Persi P. , Pezzuto S. , Polychroni D. , Rayner T. , Rivera-Ingraham A. , Roussel H. , Rygl K. , Spinoglio L. , White G. J.
Published: March 2017

Aims. To constrain models of high-mass star formation, the Herschel-HOBYS key program aims at discovering massive dense cores (MDCs) able to host the high-mass analogs of low-mass prestellar cores, which have been searched for over the past decade. We here focus on NGC 6334, one of the best-studied HOBYS molecular cloud complexes.

Methods. We used Herschel/PACS and SPIRE 70−500 μm images of the NGC 6334 complex complemented with (sub)millimeter and mid-infrared data. We built a complete procedure to extract ~0.1 pc dense cores with the getsources software, which simultaneously measures their far-infrared to millimeter fluxes. We carefully estimated the temperatures and masses of these dense cores from their spectral energy distributions (SEDs). We also identified the densest pc-scale cloud structures of NGC 6334, one 2 pc × 1 pc ridge and two 0.8 pc × 0.8 pc hubs, with volume-averaged densities of ~105 cm-3.

Results. A cross-correlation with high-mass star formation signposts suggests a mass threshold of 75 M⊙ for MDCs in NGC 6334. MDCs have temperatures of 9.5−40 K, masses of 75−1000 M⊙, and densities of 1 × 105−7 × 107 cm-3. Their mid-infrared emission is used to separate 6 IR-bright and 10 IR-quiet protostellar MDCs while their 70 μm emission strength, with respect to fitted SEDs, helps identify 16 starless MDC candidates. The ability of the latter to host high-mass prestellar cores is investigated here and remains questionable. An increase in mass and density from the starless to the IR-quiet and IR-bright phases suggests that the protostars and MDCs simultaneously grow in mass. The statistical lifetimes of the high-mass prestellar and protostellar core phases, estimated to be 1−7 × 104 yr and at most 3 × 105 yr respectively, suggest a dynamical scenario of high-mass star formation.

Conclusions. The present study provides good mass estimates for a statistically significant sample, covering the earliest phases of high-mass star formation. High-mass prestellar cores may not exist in NGC 6334, favoring a scenario presented here, which simultaneously forms clouds, ridges, MDCs, and high-mass protostars.
Circulating Extracellular DNA: Cause or Consequence of Thrombosis?
Authors: Jiménez-Alcázar Miguel , Kim Natalie , Fuchs Tobias
Published: March 2017

Thrombosis leads to ischemic organ damage in cardiovascular and thromboembolic diseases. Neutrophils promote thrombosis in vitro and in vivo by releasing neutrophil extracellular traps (NETs). NETs are composed of DNA filaments coated with histones and neutrophil enzymes such as myeloperoxidase (MPO). Circulating extracellular DNA (ceDNA) is widely used as a surrogate marker to monitor NET formation in thrombosis. This narrative review summarizes the association of ceDNA with human thrombosis. Levels of ceDNA indicate the extent and outcome of several cardiovascular and thromboembolic diseases, including myocardial infarction, stroke, and venous thromboembolism. ceDNA correlates with markers of coagulation and platelet consumption, thus supporting the hypothesis that ceDNA may be a surrogate marker of thrombus formation. In addition, ceDNA levels correlate with markers of cell injury and size of ischemic lesions, suggesting that ceDNA does not derive from NETs but is probably released from damaged organs. Few studies identified NET-specific biomarkers such as DNA–MPO complexes in the blood of patients with thrombosis. In conclusion, it remains to be established whether ceDNA in patients derives from NETs and is a cause or consequence of thrombosis.
Scoring Systems for Estimating the Risk of Anticoagulant-Associated Bleeding
Authors: Parks Anna , Fang Margaret
Published: March 2017

Anticoagulant medications are frequently used to prevent and treat thromboembolic disease. However, the benefits of anticoagulants must be balanced with a careful assessment of the risk of bleeding complications that can ensue from their use. Several bleeding risk scores are available, including the Outpatient Bleeding Risk Index, HAS-BLED, ATRIA, and HEMORR2HAGES risk assessment tools, and can be used to help estimate patients' risk for bleeding on anticoagulants. These tools vary by their individual risk components and in how they define and weigh clinical factors. However, it is not yet clear how best to integrate bleeding risk tools into clinical practice. Current bleeding risk scores generally have modest predictive ability and limited ability to predict the most devastating complication of anticoagulation, intracranial hemorrhage. In clinical practice, bleeding risk tools should be paired with a formal determination of thrombosis risk, as their results may be most influential for patients at the lower end of thrombosis risk, as well as for highlighting potentially modifiable risk factors for bleeding. Use of bleeding risk scores may assist clinicians and patients in making informed and individualized anticoagulation decisions.
Cladophialophora Bantiana: A Rare Intracerebral Fungal Abscess—Case Series and Review of Literature
Authors: Ahmad Maleeha , Jacobs Darren , Wu Hueizhi , Wolk Donna , Kazmi Syed , Jaramillo Carlos , Toms Steven
Published: March 2017

Background Intracerebral Cladophialophora bantiana may carry up to a 70% mortality rate despite advances in surgical resection capabilities and the use of both systemic and intrathecal antifungal treatments.

Objectives The authors examined a retrospective case series of two patients with intracerebral infection from the rare, neurotropic fungus Cladophialophora bantiana and conducted a literature review to evaluate optimal therapies.

Patients/Methods At our institution, the patients' cases presented with raised intracranial features of headache, visual field cut, and/or memory loss, with a correspondingly wide variety of radiological differential diagnoses. It was the microbiological, histopathological, and genomic identification of C. bantiana that ensured targeted, individualized patient therapies.

Results and Conclusions Successful treatment depends on obtaining a complete surgical resection, an accurate microbiological diagnoses for mold identification, and an effective long-term, personalized antifungal treatment. Close radiographic surveillance is necessary to ensure complete eradication of pheoid fungi.
Rehabilitationsprozesse in ambulanter und stationärer Rehabilitation nach radikaler Prostatovesikulektomie
Authors: Rath H. , Ullrich A. , Otto U. , Kerschgens C. , Raida M. , Hagen-Aukamp C. , Koch U. , Bergelt C.
Published: March 2017

Untersucht werden Rehaprozesse bei ambulanten und stationären Patienten nach radikaler Prostatovesikulektomie.

Insgesamt wurden zu Rehabeginn Motivation und Erwartungen von 119 ambulanten und 719 stationären Patienten (≤64 Jahre) erfasst sowie am Ende Zufriedenheit und therapeutische Leistungen.

Ambulante Patienten weisen einen höheren sozio-ökonomischen Status und eine bessere körperliche Verfassung auf. Bezüglich Motivation, Erwartungen und Zufriedenheit bestehen kaum Unterschiede. Beide Gruppen unterscheiden sich nicht in der Menge an erhaltenen Leistungen. Allerdings liegen z.T. Unterschiede in der Art der Maßnahmen vor.

Ambulante und stationäre Reha sind hinsichtlich der Menge an therapeutischen Leistungen vergleichbar. Diskrepanzen in der Art der Leistungen sind auf das unterschiedliche Patientenklientel zurückzuführen. Die Studie gibt Hinweise auf settingspezifische Patientenmerkmale, was in größeren Stichproben zu verifizieren ist.
Spatially resolved, substrate-induced rectification in C60 bilayers on copper
Authors: Smerdon J. A. , Darancet P. , Guest J. R.
Published: March 2017

We demonstrate rectification ratios (RR) of ≳1000 at biases of 1.3 V in bilayers of C60 deposited on copper. Using scanning tunneling spectroscopy and first-principles calculations, we show that the strong coupling between C60 and the Cu(111) surface leads to the metallization of the bottom C60 layer, while the molecular orbitals of the top C60 are essentially unaffected. Due to this substrate-induced symmetry breaking and to a tunneling transport mechanism, the system behaves as a hole-blocking layer, with a spatial dependence of the onset voltage on intra-layer coordination. Together with previous observations of strong electron-blocking character of pentacene/C60 bilayers on Cu(111), this work further demonstrates the potential of strongly hybridized, C60-coated electrodes to harness the electrical functionality of molecular components.
The role of Stern layer in the interplay of dielectric saturation and ion steric effects for the capacitance of graphene in aqueous electrolytes
Authors: Daniels Lindsey , Scott Matthew , Mišković Z. L.
Published: March 2017

Nano-scale devices continue to challenge our theoretical understanding of microscopic systems. Of particular interest is the characterization of the interface electrochemistry of graphene-based sensors. Typically operated in a regime of high ion concentration and high surface charge density, dielectric saturation and ion crowding become non-negligible at the interface, complicating continuum treatments based upon the Poisson-Boltzmann equation. Using the Poisson-Boltzmann equation, modified with the Bikerman-Freise model to account for non-zero ion size and the Booth model to account for dielectric saturation at the interface, we characterize the diffuse layer capacitance of both metallic and graphene electrodes immersed in an aqueous electrolyte. We find that the diffuse layer capacitance exhibits two peaks when the surface charge density of the electrode is increased, in contrast with experimental results. We propose a self-consistent (and parameter-free) method to include the Stern layer which eliminates the spurious secondary peak in the capacitance and restores the correspondence of the model with experimental observations. This study sheds light on the interplay between the ion steric effects and the dielectric saturation in solvent, exposes the importance of quantum capacitance when graphene is used as an electrode, and demonstrates the importance of a self-consistent treatment of the Stern layer in continuum models of the electrode-electrolyte interface. Furthermore, the theoretical foundation provides a base upon which more detailed models of graphene-based sensors can be built.
Kohn-Sham density functional theory calculations of non-resonant and resonant x-ray emission spectroscopy
Authors: Hanson-Heine Magnus W. D. , George Michael W. , Besley Nicholas A.
Published: March 2017

The accuracy of non-resonant and resonant (resonant inelastic X-ray scattering) X-ray emission spectra simulated based upon Kohn-Sham density functional theory is assessed. Accurate non-resonant X-ray emission spectra with the correct energy scale are obtained when short-range corrected exchange-correlation functionals designed for the calculation of X-ray absorption spectroscopy are used. It is shown that this approach can be extended to simulate resonant inelastic X-ray scattering by using a reference determinant that describes a core-excited state. For this spectroscopy, it is found that a standard hybrid functional, B3LYP, gives accurate spectra that reproduce the features observed in experiment. However, the ability to correctly describe subtle changes in the spectra arising from different intermediate states is more challenging and requires averaging over conformations from a molecular dynamics simulation. Overall, it is demonstrated that accurate non-resonant and resonant X-ray emission spectra can be simulated directly from Kohn-Sham density functional theory.
Exploring high dimensional free energy landscapes: Temperature accelerated sliced sampling
Authors: Awasthi Shalini , Nair Nisanth N.
Published: March 2017

Biased sampling of collective variables is widely used to accelerate rare events in molecular simulations and to explore free energy surfaces. However, computational efficiency of these methods decreases with increasing number of collective variables, which severely limits the predictive power of the enhanced sampling approaches. Here we propose a method called Temperature Accelerated Sliced Sampling (TASS) that combines temperature accelerated molecular dynamics with umbrella sampling and metadynamics to sample the collective variable space in an efficient manner. The presented method can sample a large number of collective variables and is advantageous for controlled exploration of broad and unbound free energy basins. TASS is also shown to achieve quick free energy convergence and is practically usable with ab initio molecular dynamics techniques.
Influence of bidisperse self-assembled monolayer structure on the slip boundary condition of thin polymer films
Authors: McGraw Joshua D. , Klos Mischa , Bridet Antoine , Hähl Hendrik , Paulus Michael , Castillo Juan Manuel , Horsch Martin , Jacobs Karin
Published: March 2017

Alkylsilane self-assembled monolayers (SAMs) are often used as model substrates for their ease of preparation and hydrophobic properties. We have observed that these atomically smooth monolayers also provide a slip boundary condition for dewetting films composed of unentangled polymers. This slip length, an indirect measure of the friction between a given liquid and different solids, is switchable and can be increased [R. Fetzer et al., Phys. Rev. Lett. 95, 127801 (2005); O. Bäumchen et al., J. Phys.: Condens. Matter 24, 325102 (2012)] if the alkyl chain length is changed from 18 to 12 backbone carbons, for example. Typically, this change in boundary condition is affected in a quantized way, using one or the other alkyl chain length, thus obtaining one or the other slip length. Here, we present results in which this SAM structure is changed in a continuous way. We prepare bidisperse mixed SAMs of alkyl silanes, with the composition as a control parameter. We find that all the mixed SAMs investigated show an enhanced slip boundary condition as compared to the single-component SAMs. The slip boundary condition is accessed using optical and atomic force microscopy, and we describe these observations in the context of X-ray reflectivity measurements. The slip length, varying over nearly two orders of magnitude, of identical polymer melts on chemically similar SAMs is found to correlate with the density of exposed alkyl chains. Our results demonstrate the importance of a well characterized solid/liquid pair, down to the angstrom level, when discussing the friction between a liquid and a solid.
Shot noise detection in hBN-based tunnel junctions
Authors: Zhou Panpan , Hardy Will J. , Watanabe Kenji , Taniguchi Takashi , Natelson Douglas
Published: March 2017

High quality Au/hBN/Au tunnel devices are fabricated using transferred atomically thin hexagonal boron nitride as the tunneling barrier. All tunnel junctions show tunneling resistance on the order of several kΩ/μm2. Ohmic I-V curves at small bias with no signs of resonances indicate the sparsity of defects. Tunneling current shot noise is measured in these devices, and the excess shot noise shows consistency with theoretical expectations. These results show that atomically thin hBN is an excellent tunnel barrier, especially for the study of shot noise properties, and this can enable the study of the tunneling density of states and shot noise spectroscopy in more complex systems.
Molecular dynamics simulation of the capillary leveling of viscoelastic polymer films
Authors: Tanis I. , Meyer H. , Salez T. , Raphaël E. , Maggs A. C. , Baschnagel J.
Published: March 2017

Surface tension-driven flow techniques have recently emerged as an efficient means of shedding light into the rheology of thin polymer films. Motivated by experimental and theoretical approaches in films bearing a varying surface topography, we present results on the capillary relaxation of a square pattern at the free surface of a viscoelastic polymer film, using molecular dynamics simulations of a coarse-grained polymer model. Height profiles are monitored as a function of time after heating the system above its glass-transition temperature and their time dependence is fitted to the theory of capillary leveling. Results show that the viscosity is not constant, but time dependent. In addition to providing a complementary insight about the local inner mechanisms, our simulations of the capillary-leveling process therefore probe the viscoelasticity of the polymer and not only its viscosity, in contrast to most experimental approaches.
α-, β-phenomena in the post-symmetry break for the flow past a circular cylinder
Authors: Kalita Jiten C. , Sen Shuvam
Published: March 2017

In the existing literature, the so-called α- and β-phenomena have been reported only for the early stages for the flow past an impulsively started circular cylinder. The current study endeavours to explore the possible existence of these phenomena even in the later stages of the flow. The flow is computed using a recently developed compact finite difference method for the biharmonic form of the two-dimensional Navier-Stokes equations for a wide range of Reynolds numbers (Re). We establish that these secondary phenomena not only appear once the wake becomes asymmetric but also periodically during the post-vortex shedding period for Re = 1000. Further, the recently reported sub-α- and sub-β-phenomena for Re = 5000 at the tertiary level during the early stages of the flow could be identified even during the later stages of the flow as well. The formation of these tertiary structures has been explained through a detailed theoretical characterization of the topological aspects of the boundary layer separation. Both qualitative and quantitative results are provided to substantiate our claim.
Turbulent entrainment in sediment-laden flows interacting with an obstacle
Authors: Wilson Richard I. , Friedrich Heide , Stevens Craig
Published: March 2017

Temporal entrainment characteristics and mixing processes of sediment-laden turbidity currents interacting with a rectangular obstacle are investigated through lock-exchange experiments. Building on the Morton-Taylor-Turner hypothesis, dependency of temporal entrainment on non-dimensional parameters is examined. Currents of varying density are analyzed during the slumping phase over smooth and rough substrates. Quantitative and qualitative observations of the currents are captured through high resolution, high framerate binary thresholding techniques. Additionally, siphoning techniques are used to compare the density structure of the currents before and after the obstacle. Upon interaction with the obstacle, currents are found to experience four stages of entrainment: (i) lateral entrainment stage; (ii) jet stage; (iii) collapsing stage; (iv) re-establishment stage. The entrainment parameter was within the range of other studies for both obstacle and no-obstacle cases. Reynolds, Froude, and Richardson numbers are also comparable to previous studies; however, there was no clear relationship with the entrainment parameter. This suggests that entrainment dependency on non-dimensional parameters is not quantifiable where the analysis area length to lock-box length ratio is ≈1. The presence of the obstacle was shown to increase entrainment by approximately 99% immediately downstream of the obstacle, associated with a subsequent entrainment decrease by 14% at the downstream end of the analysis area. For rectangular obstacles 1/6th the initial current height, as used for this study, an obstacle’s role is limited in decreasing net velocity and entrainment and not fit-for-purpose as a barrier to reduce current velocity. Finally, we discuss optimization strategies, weighing up observed minimal net velocity/entrainment decrease with the detrimental effects of jet expansion.
Thermodynamic formalism for transport coefficients with an application to the shear modulus and shear viscosity
Authors: Palmer Thomas , Speck Thomas
Published: March 2017

We discuss Onsager’s thermodynamic formalism for transport coefficients and apply it to the calculation of the shear modulus and shear viscosity of a monodisperse system of repulsive particles. We focus on the concept of extensive “distance” and intensive “field” conjugated via a Fenchel-Legendre transform involving a thermodynamic(-like) potential, which allows to switch ensembles. Employing Brownian dynamics, we calculate both the shear modulus and the shear viscosity from strain fluctuations and show that they agree with direct calculations from strained and non-equilibrium simulations, respectively. We find a dependence of the fluctuations on the coupling strength to the strain reservoir, which can be traced back to the discrete-time integration. These results demonstrate the viability of exploiting fluctuations of extensive quantities for the numerical calculation of transport coefficients.
Wake of two side-by-side square cylinders at low Reynolds numbers
Authors: Ma Shengwei , Kang Chang-Wei , Lim Teck-Bin Arthur , Wu Chih-Hua , Tutty Owen
Published: March 2017

Wake of two side-by-side square cylinders was investigated through direct numerical simulation at low Reynolds numbers (16–200). The gap between the two cylinders varied from 0 to 10D, where D is the dimension of the square cylinder (edge length). 9 different wake patterns and their dependency on both the Reynolds number and gap spacing were identified and analysed. A system classification map, demarcated by the Reynolds number and gap ratio g* (g/D, where g is the gap spacing between 2 cylinders), was derived for these 9 wake modes. Steady-state wake (mode I) was observed when the Reynolds number is lower than the critical Reynolds number, which depends on g*. For the gap ratio less than 0.7, only single vortex street was observed. The single vortex street wake can be either symmetric and periodic (mode II), or asymmetric and periodic (mode III), or irregular (mode IV). In this gap ratio range (less than 0.7), shedding frequency decreases with the gap ratio due to the damping role of the gap flow. For the gap ratio larger than 0.7, two vortex streets were also observed. For the gap ratio larger than 1, only two vortex streets were observed. Vortex shedding can be either synchronized and in-phase (mode V), synchronized and anti-phase (mode VI), in-phase dominated with low frequency modulation (mode VII), anti-phase dominated with low frequency modulation (mode VIII), asymmetric synchronized anti-phase (mode IX), or irregular (mode IV). For the gap ratio larger than 4, only synchronized anti-phase mode was observed under the conditions of this study. In the two vortex streets regime, shedding frequency is higher than that of a single cylinder, due to a stronger gap flow than that in the freestream side. The impact of gap ratio and Reynolds number on the drag and lift forces was also studied.
Scaling of plasma-body interactions in low Earth orbit
Authors: Capon C. J. , Brown M. , Boyce R. R.
Published: March 2017

This paper derives the generalised set of dimensionless parameters that scale the interaction of an unmagnetised multi-species plasma with an arbitrarily charged object - the application in this work being to the interaction of the ionosphere with Low Earth Orbiting (LEO) objects. We find that a plasma with K ion species can be described by 1+4K independent dimensionless parameters. These parameters govern the deflection and coupling of ion species k, the relative electrical shielding of the body, electron energy, and scaling of temporal effects. The general shielding length λϕ is introduced, which reduces to the Debye length in the high-temperature (weakly coupled) limit. The ability of the scaling parameters to predict the self-similar transformations of single and multi-species plasma interactions is demonstrated numerically using pdFOAM, an electrostatic Particle-in-Cell—Direct Simulation Monte Carlo code. The presented scaling relationships represent a significant generalisation of past work, linking low and high voltage plasma phenomena. Further, the presented parameters capture the scaling of multi-species plasmas with multiply charged ions, demonstrating previously unreported scaling relationship transformations. The implications of this work are not limited to LEO plasma-body interactions but apply to processes governed by the Vlasov-Maxwell equations and represent a framework upon which to incorporate the scaling of additional phenomena, e.g., magnetism and charging.
Bendable MOS capacitors formed with printed In0.2Ga0.8As/GaAs/In0.2Ga0.8As trilayer nanomembrane on plastic substrates
Authors: Liu Chen , June Cho Sang , Hwan Jung Yei , Chang Tzu-Hsuan , Seo Jung-Hun , Mikael Solomon , Zhang Yuming , Zhang Yi-Men , Lu Hongliang , Li Guo Xin , Mi Hongyi , Zhang Huilong , Ma Zhenqiang
Published: March 2017

An optimized approach is applied to realize the transfer printing of an In0.2Ga0.8As/GaAs/In0.2Ga0.8As trilayer nanomembrane (NM) onto a plastic substrate with high quality. Bendable metal-oxide-semiconductor capacitors (MOSCAPs) are fabricated on the transferred NM. A detailed COMSOL simulation study is conducted to investigate the mechanical bending behavior induced tri-principle stress of the NM on flexible substrates. The electrical characteristics of the fabricated MOSCAPs exhibit almost no hysteresis voltage of only 0.03 V, an extremely low gate leakage of 10-6 to 10-7 A/cm2, and low accumulation frequency dispersion, thus indicating the possibility of achieving high performance III-V MOS transistor operation. The impact of mechanical strains on the flatband voltages has been carefully investigated from the capacitance-voltage (C-V) measurements. The corresponding accumulation capacitance shows good robustness under tensile bending conditions. The results indicate an important step toward the realization of mechanically flexible high-performance III-V MOS field-effect transistors and provide understanding of mechanical effects on the behavior of such devices.
Measuring hole spin states of single quantum dot in germanium hut wire
Authors: Li Shu-Xiao , Li Yan , Gao Fei , Xu Gang , Li Hai-Ou , Cao Gang , Xiao Ming , Wang Ting , Zhang Jian-Jun , Guo Guo-Ping
Published: March 2017

As a group IV material with confined holes, the germanium hut wire is considered a promising candidate for achieving fast electrically controlled spin qubits. Here we fabricated a single quantum dot device on a germanium hut wire and a standard charge stability diagram with excited states was observed by DC transport measurements. By analyzing the Zeeman splitting behaviors of each state, we chose a window for distinguishing different hole parities and spin states, launching the first step towards a useful spin qubit. Effective g-factors around 4.3 for both even and odd hole number states were also extracted.
Stretchable and foldable silicon-based electronics
Authors: Cavazos Sepulveda A. C. , Diaz Cordero M. S. , Carreño A. A. A. , Nassar J. M. , Hussain M. M.
Published: March 2017

Flexible and stretchable semiconducting substrates provide the foundation for novel electronic applications. Usually, ultra-thin, flexible but often fragile substrates are used in such applications. Here, we describe flexible, stretchable, and foldable 500-μm-thick bulk mono-crystalline silicon (100) “islands” that are interconnected via extremely compliant 30-μm-thick connectors made of silicon. The thick mono-crystalline segments create a stand-alone silicon array that is capable of bending to a radius of 130 μm. The bending radius of the array does not depend on the overall substrate thickness because the ultra-flexible silicon connectors are patterned. We use fracture propagation to release the islands. Because they allow for three-dimensional monolithic stacking of integrated circuits or other electronics without any through-silicon vias, our mono-crystalline islands can be used as a “more-than-Moore” strategy and to develop wearable electronics that are sufficiently robust to be compatible with flip-chip bonding.
Efficacy of hydrate sodium calcium aluminosilicate and yeast cell wall to ameliorate the toxic effects of aflatoxin in ducks
Authors: Tanpong S. , Wongtangtintharn S. , Pimpukdee K. , Tengjaroenkul B. , Khajarern J.
Published: March 2017

The aim of the present experiment was to evaluate the efficacy of a hydrate sodium calcium aluminosilicate and yeast cell wall (Fixar® Viva Dry) to prevent aflatoxin toxicity in meat-type ducks. In total, 336 1-day-old Cherry Valley ducks were randomly assigned to seven dietary groups, including of three diets without adsorbent. These included <30 (control), 60 and 120 μg/kg of aflatoxin in the diet and 60 or 120 μg/kg of aflatoxin supplemented with Fixar® Viva Dry at either 0.05% or 0.10% in the diet. Each treatment group was duplicated, with 24 birds per pen (replicate) throughout the 28-day trial period. The results showed that, bodyweight gain was reduced by 11% and mortality was increased by 10% in ducks fed diet containing aflatoxin at 120 μg/kg, compared with the control diet. However, dietary Fixar® Viva Dry supplementation effectively alleviated the overall toxicity induced by aflatoxin. Significant negative treatment-related changes were observed in feather growth, eye necrosis, web-toe haemorrhage, leg deformity, tibia bone porosity, liver paleness and fat content, organ weight and serum biochemical characteristics, as well as decreased leaked enzymes in blood serum, compared with the control. Addition of Fixar® Viva Dry in the diet significantly (P < 0.05) reduced the adverse effects of aflatoxin on all parameters measured, near to those in the control group. This finding indicated that Fixar® Viva Dry, when added at the level of 0.05% in 60 μg/kg or of 0.10% in 120 μg/kg aflatoxin diets, could modulate the toxicity of aflatoxin. In conclusion, these results showed that Fixar® Viva Dry 0.05% was effective in preventing the toxic effects of aflatoxin that may be present in poultry diets.
Consistent and powerful graph-based change-point test for high-dimensional data
Authors: Shi Xiaoping , Wu Yuehua , Rao Calyampudi Radhakrishna
Published: March 2017

Significance

Change-point detection in high-dimensional time series is necessary in many areas of science and engineering, including neuroscience, signal processing, network evolution, image analysis, and text analysis. In terms of a multivariate generalization of the Wald–Wolfowitz run test using the shortest Hamiltonian path, this paper proposes a distribution-free, consistent graph-based change-point detection for high-dimensional data. Once a change-point is detected, its location is estimated by using ratio cut. The test is very powerful against alternatives with a shift in mean or variance and is accurate in change-point estimation. Its applicability is demonstrated in the example of tracking cell division.
Accepting remote proposals
Authors: Lindström Anna
Published: March 2017

This study focuses on the preferred sequence trajectory of remote proposals. A remote proposal is a request, invitation, or related proposal that cannot be immediately satisfied. The data consists of 34 remote proposal sequences drawn from recordings of Swedish telephone conversations. The analysis shows that although remote proposals are formatted as yes no interrogatives, an affirmative response token is insufficient as a claim of alignment with the proposal. An additional unit of talk is required where the accepter enacts a stance that demonstrates a commitment to fulfill the remote proposal.
Referring to persons
Authors: Kitzinger Celia , Wilkinson Sue
Published: March 2017

We examine the relationship between the linguistic gender intrinsic to person reference terms (such as ‘husband’, ‘man’, ‘he’) and the actions participants use them to do. We show that analysts cannot rely on the fact that a term is gendered linguistically as evidence that participants are using it in order to ‘do gender’. First, we show that linguistically gendered terms are not necessarily deployed by reference to their gendered properties, or in order to make gender relevant. Second, we show that linguistically gendered terms are nonetheless a resource for making gender relevant interactionally. Third, we show that the relevance of gender may be invoked or disattended over the course of an interaction in the service of local interactional goals.
Out of context
Authors: Drew Paul
Published: March 2017

This paper explores the intersection between two very different contexts – domestic life and the workplace – and the membrane which lies between them. This membrane is manifest in the practices through which participants come to treat certain of their identities as salient for the present interaction. This is explored through close examination of a conversation, the beginning of which happens to offer a kind of ‘natural laboratory’: the failure by a husband to recognise his wife’s voice when she calls him at work affords us the opportunity to see how each manages the talk as being, respectively, ‘workplace’ or ‘domestic’.

© 2002 Elsevier Science Ltd. All rights reserved.
What a difference forty years make
Authors: Couper-Kuhlen Elizabeth
Published: March 2017

In great part thanks to Manny Schegloff’s contributions, CA has brought with it a fresh new way of thinking about language. Three roughly chronological stages can be identified in Schegloff’s linguistic development: (1) casual observation about small-scale linguistic phenomena, including silence, timing of sounds, syllables and words, non-lexical tokens, reference and deixis; (2) serious engagement with large-scale linguistic phenomena, including sentences, questions, speech acts, coherence, and prosody; (3) full-blown linguistic theorizing about, e.g., the natural habitat of language and grammars as positionally sensitive objects. The conclusion is that Manny Schegloff has contributed, if unwittingly, to a ‘new-age’, interactional revolution in linguistic thinking.
Determination of intrinsic mobility of a bilayer oxide thin-film transistor by pulsed I–V method
Authors: Woo Hyunsuk , Kim Taeho , Hur Jihyun , Jeon Sanghun
Published: March 2017

Amorphous oxide semiconductor thin-film transistors (TFT) have been considered as outstanding switch devices owing to their high mobility. However, because of their amorphous channel material with a certain level of density of states, a fast transient charging effect in an oxide TFT occurs, leading to an underestimation of the mobility value. In this paper, the effects of the fast charging of high-performance bilayer oxide semiconductor TFTs on mobility are examined in order to determine an accurate mobility extraction method. In addition, an approach based on a pulse I
D
–V
G measurement method is proposed to determine the intrinsic mobility value. Even with the short pulse I
D
–V
G measurement, a certain level of fast transient charge trapping cannot be avoided as long as the charge-trap start time is shorter than the pulse rising time. Using a pulse-amplitude-dependent threshold voltage characterization method, we estimated a correction factor for the apparent mobility, thus allowing us to determine the intrinsic mobility.
Forty years on: clathrin-coated pits continue to fascinate
Authors: Maib Hannes , Smythe Elizabeth , Ayscough Kathryn
Published: March 2017

Clathrin-mediated endocytosis (CME) is a fundamental process in cell biology and has been extensively investigated over the past several decades. Every cell biologist learns about it at some point during his or her education, and the beauty of this process has led many of us to go deeper and make it the topic of our research. Great progress has been made toward elucidating the mechanisms of CME, and the field is becoming increasingly complex, with several hundred new publications every year. This makes it easy to get lost in the vast amount of literature and forget about the fundamentals of the field, which are based on the careful interpretation of simple observations made >40 years ago, as exemplified by a study performed by Anderson, Brown, and Goldstein in 1977. We examine how this seminal study was pivotal to our understanding of CME and its progression into ever-increasing complexity over the past four decades.
Bridging length scales to measure polymer assembly
Authors: Kaye Bryan , Yoo Tae Yeon , Foster Peter J. , Yu Che-Hang , Needleman Daniel J.
Published: March 2017

Time-resolvable quantitative measurements of polymer concentration are very useful to elucidate protein polymerization pathways. There are numerous techniques to measure polymer concentrations in purified protein solutions, but few are applicable in vivo. Here we develop a methodology combining microscopy and spectroscopy to overcome the limitations of both approaches for measuring polymer concentration in cells and cell extracts. This technique is based on quantifying the relationship between microscopy and spectroscopy measurements at many locations. We apply this methodology to measure microtubule assembly in tissue culture cells and Xenopus egg extracts using two-photon microscopy with FLIM measurements of FRET. We find that the relationship between FRET and two-photon intensity quantitatively agrees with predictions. Furthermore, FRET and intensity measurements change as expected with changes in acquisition time, labeling ratios, and polymer concentration. Taken together, these results demonstrate that this approach can quantitatively measure microtubule assembly in complex environments. This methodology should be broadly useful for studying microtubule nucleation and assembly pathways of other polymers.
Letter to His Mother, Elizabeth
Authors: Winnicott Donald W.
Published: March 2017

In this letter to his mother, Winnicott describes his work with the Scouts group, showing his compassion and his action on behalf of the very disadvantaged.
Case for Diagnosis (? Poliomyelitis with Some Spasticity)
Authors: Winnicott Donald W.
Published: March 2017

In this case, Winnicott looks at a seven-year-old who was brought to medical attention on account of a slightly abnormal gait. There was no definite illness of onset.
Rheumatism in Children
Authors: Winnicott Donald W.
Published: March 2017

In this report for the London County Council, Winnicott describes the work of the Rheumatic Clinic in his care, with the aim of preventing heart disease. Winnicott notes that a sufficient number of doubtful cases of rheumatism and chorea were being sent from the school care committees to justify the setting apart of this clinic of one session a week, to deal almost exclusively with this type of case. The clinic does not seek a reputation as centre for the treatment of rheumatism, but has the object of sorting out possible rheumatic diseases and becoming responsible for providing common sense treatment of indirect value.
Short Communication on Enuresis
Authors: Winnicott Donald W.
Published: March 2017

In this paper, Winnicott discusses the anxiety surrounding enuresis as the outward show of a sense of guilt accompanying (unconscious) masturbation fantasies. He interprets enuresis as a part of a regression, and the fantasies belonging to genital sensation have coloured those belonging to micturating. Associated defaecation disorders, when present in patients with this type of enuresis, take the form of incontinence. The main affect is a pleasurable one, derived from the infantile experience of micturition in relation to the mother or nurse.
Pre-systolic Murmur, Possibly Not Due to Mitral Stenosis
Authors: Winnicott Donald W.
Published: March 2017

In this case, Winnicott describes the case of a patient whose heart is quite normal except that on auscultation a pre-systolic murmur can be heard whose quality is typical of the murmur due to rather advanced stenosis. The point for Winnicott is the absence of any evidence of mitral regurgitation. Winnicott recounts how he has lately come across a few cases of stenosis in definitely rheumatic or choreic children, with no systolic apical murmur and without detectable carditis during the acute illness.
The Heart, with Special Reference to Rheumatic Carditis
Authors: Winnicott Donald W.
Published: March 2017

Chapter 5 of Clinical Notes on Disorders of Childhood. In this chapter Winnicott describes the extremely difficult problem of diagnosis of active rheumatic carditis, along with a description of the healthy heart of a nervous subject and of the normal heart. Winnicott discusses the examination of the heart, percussion, auscultation, systolic thrills, the position of the apex beat, mitral stenosis, congenital heart malformation and heart failure.
Growing Pains
Authors: Winnicott Donald W.
Published: March 2017

Chapter 9 of Clinical Notes on Disorders of Childhood. In this chapter, Winnicott restates his belief that growing pains are not rheumatic and quotes a range of other medical authorities who hold the same view.