bluuebunny/crossref_metadata_2025 huggingface dataset:
The EU's New Approach To the Two-State Solution in the Israeli-Palestinian Conflict: A Paradigm Shift or PR Exercise?
Authors: HARPAZ GUY
Published: April 2017

The EU's consistent policy towards the Israeli-Palestinian conflict has been that Israel's presence in the West Bank, East Jerusalem, the Gaza Strip (prior to the 2005 disengagement) and the Golan Heights is subject to the laws of belligerent occupation, that any purported Israeli annexation is illegal and null and void, that Israel's settlements in the Territories are in breach of public international law and constitute a serious obstacle to peace, and that Israel and Palestine should settle their conflict on the basis of public international law and through the two-state solution. In recent years the EU attempted to concretize this policy through its trade and trade-related agreements with Israel, withholding the benefits of EU-Israeli co-operation from companies and research institutions based in the Territories or operating therein, as well as from products produced therein (the New Approach). Thus, from the EU perception, the New Approach towards the long-standing conflict and its reliance on international law may be seen as an instrument to reinforce internal and external legitimacy, buttress identity cohesiveness and as a manifestation of its more robust effectiveness. But this article seeks to conduct a more careful and balanced analysis of the New Approach and in doing so to reveal that the EU's (almost) exclusive focus on non-governmental entities, such as corporations situated in the Territories, and on Territories’ products, is misplaced in terms of public international law and effectiveness. The New Approach's deficiencies,in abstractoandin concreto, as evaluated in this article, are likely to prevent it from serving as a paradigm shift in EU-Israel relations.
Maternal mind–mindedness and toddler behavior problems: The moderating role of maternal trauma and posttraumatic stress
Authors: Easterbrooks M. Ann , Crossman Molly K. , Caruso Alessandra , Raskin Maryna , Miranda-Julian Claudia
Published: April 2017

Maternal mind–mindedness (MM) reflects a caregiver's tendency to view a child as an individual with an independent mind. Research has linked higher MM with more favorable parenting and child adaptation. The aim of this study was to examine whether MM was associated with toddlers’ behavior problems and competence, and the moderating role of trauma and posttraumatic stress disorder (PTSD) in a sample (N = 212) of adolescent mothers and their toddlers. MM was coded from maternal utterances during free play; mothers completed the University of California at Los Angeles Trauma and Posttraumatic Stress Disorder Reaction Index and reported on children's behavior problems and competence using the Brief Infant–Toddler Social and Emotional Assessment. The majority of mothers (84%) experienced trauma; 45% of these mothers met criteria for partial or full PTSD. Trauma was related to greater behavior problems, and PTSD moderated MM–child functioning relations. When mothers experienced full PTSD, there was no relation between MM and behavior problems. With child competence, when compared to children of mothers with no trauma exposure, children of mothers experiencing partial PTSD symptoms were more likely to have delays in competence when mothers made more MM comments. Results are discussed in light of how MM, in the context of trauma and PTSD, may affect parenting.
Paediatric-onset coronary artery anomalies in pregnancy: a single-centre experience and systematic literature review
Authors: Keir Michelle , Bhagra Catriona , Vatenmakher Debra , Arancibia-Galilea Francisca , Jansen Katrijn , Toh Norihisa , Silversides Candice K. , Colman Jack , Siu Samuel C. , Sermer Mathew , Crean Andrew M. , Wald Rachel M.
Published: April 2017

Objectives

Individuals with childhood-onset coronary artery anomalies are at increased risk of lifelong complications. Although pregnancy is thought to confer additional risk, a few data are available regarding outcomes in this group of women. We sought to define outcomes of pregnancy in this unique population.

Methods

We performed a retrospective survey of women with paediatric-onset coronary anomalies and pregnancy in our institution, combined with a systematic review of published cases. We defined paediatric-onset coronary artery anomalies as congenital coronary anomalies and inflammatory arteriopathies of childhood that cause coronary aneurysms. Major cardiovascular events were defined as pulmonary oedema, sustained arrhythmia requiring treatment, stroke, myocardial infarction, cardiac arrest, or death.

Results

A total of 25 surveys were mailed, and 20 were returned (80% response rate). We included 46 articles from the literature, which described cardiovascular outcomes in 82 women (138 pregnancies). These data were amalgamated for a total of 102 women and 194 pregnancies; 59% of women were known to have paediatric-onset coronary artery anomalies before pregnancy. In 23%, the anomaly was unmasked during or shortly after pregnancy. The remainder, 18%, was diagnosed later in life. Major cardiovascular events occurred in 14 women (14%) and included heart failure (n=5, 5%), myocardial infarction (n=7, 7%), maternal death (n=2, 2%), cardiac arrest secondary to ventricular fibrillation (n=1, 1%), and stroke (n=1, 1%). The majority of maternal events (13/14, 93%) occurred in women with no previous diagnosis of coronary disease.

Conclusions

Women with paediatric-onset coronary artery anomalies have a 14% risk of adverse cardiovascular events in pregnancy, indicating the need for careful assessment and close follow-up. Prospective, multicentre studies are required to better define risk and predictors of complications during pregnancy.
Unit cost of common illness management: a comparison between a primary care unit and a community pharmacy in Thailand
Authors: Saramunee Kritsanee , Ploylearmsang Chanuttha , Chaiyasong Surasak , Phimarn Wiraphol , Sookaneknun Phayom
Published: April 2017

Aim

This study was to perform unit cost analysis of managing common illnesses comparing between a primary care unit (PCU) and a community pharmacy.

Background

PCU is a key point of access for primary care in Thailand. Although a community pharmacy is an ideal setting, it has not been successfully incorporated in Thailand's health service. Common illnesses are encountered everyday by community pharmacists, an appropriate compensation for this service has not been established.

Methods

A primary care service of one educational institution was a study site. Eight common illnesses were emphasised. Patient visits were observed, prospectively at community pharmacy and retrospectively at PCU, during August to October 2013. Labour and material costs related to management of common illnesses were recorded. Total cost divided by total patient visits determined the unit cost. For the community pharmacy, patients were followed up after 3–14 days of visit to evaluate the effectiveness. Sensitivity analysis was performed by varying direct medical cost at ±10–30%.

Findings

At the community pharmacy, community pharmacists performed multiple tasks including interviewing and assessing patients, choosing an appropriate treatment and dispensing. Of 9141 visits, 775 (8.5%) with common illnesses were included. Upper respiratory disorder was found the highest 41.9% (325/755). Unit cost of treatment ranged from 54.16 baht (£1.18) for pain to 82.71 baht (£1.80) for skin disorder. Two-thirds of pharmacy visits (77.9%, 539/692) reported complete recovery. Managing common illnesses at the PCU was performed by nurse assistants, nurses, doctors and pharmacists. Of 6701 patient visits to the PCU, 1545 (23.1%) visits were at least one of the eight illnesses. Upper respiratory disorder was the majority, 53.0% (771/1454). Unit cost of treatment ranged from 85.39 baht (£1.86) for eye/ear to 245.93 baht (£5.36) for sexual health. Managing common illness at a community pharmacy shows satisfactory effectiveness with lower unit cost.
Treating Complicated Grief in a Teenager With Autism: When the Client’s Limitations Prevent Engagement in Therapy
Authors: Zakreski Matthew J.
Published: April 2017

Treating grief in adolescents is only further complicated by a diagnosis of autism spectrum disorder (ASD). When the loss is traumatic, treatment becomes even more difficult, because mourning can be interrupted by the stigmatizing events of the loss, which leads to feelings of helplessness in the survivor. The case of 15-year-old Manda demonstrates a client with ASD whose traumatic grief symptoms do not respond to traditional approaches to treatment. Despite using therapeutic interventions targeted to clients with ASD and grief, 5 months of work based on complicated grief treatment (CGT) with Manda and her father has not led to any improvements in her suicidality and grief. In this treatment, her slow processing speed and cognitive rigidity seemed to prevent CGT interventions’ effectiveness. Additional months using the neuropsychological therapeutic intervention of social medicine, education, exercise, diet, and sleep (SEEDS) by Arden (2015) has resulted in limited progress by helping Manda to develop some global skills in the areas that neuropsychology indicates support general mental health. After months of intensive work, Manda still seems unable to articulate or connect her feelings of loss to her sadness. Based on a literature review of developmental grief processes, Manda would be expected to be showing more understanding of what her loss means to her life moving forward and an ability to articulate the feelings attached to that loss. Until she is able to verbalize her feelings of traumatic loss, therapy will continue to be unable to significantly address her grief and integrate those feelings.
The Fictive Brain: Neurocognitive Correlates of Engagement in Literature
Authors: Jacobs Arthur M. , Willems Roel M.
Published: April 2017

Fiction is vital to our being. Many people enjoy engaging with fiction every day. Here we focus on literary reading as 1 instance of fiction consumption from a cognitive neuroscience perspective. The brain processes which play a role in the mental construction of fiction worlds and the related engagement with fictional characters, remain largely unknown. The authors discuss the neurocognitive poetics model ( Jacobs, 2015a ) of literary reading specifying the likely neuronal correlates of several key processes in literary reading, namely inference and situation model building, immersion, mental simulation and imagery, figurative language and style, and the issue of distinguishing fact from fiction. An overview of recent work on these key processes is followed by a discussion of methodological challenges in studying the brain bases of fiction processing.
Euro-American Parents’ Socialization for the Multiple Identities of Children Adopted from China
Authors: Chen Yung-Lung , Lamborn Susie D. , Lu Haiyun
Published: April 2017

This study examined how 14 Euro-American parents, including 7 fathers and 7 mothers, address challenges associated with the socialization of 17 children adopted from China. The parents discussed successes and challenges related to ethnic and racial socialization for the development of healthy self-concepts and identities in their children. A conventional content analysis of individual qualitative interviews revealed that parents identified 3, interrelated aspects of the children’s identities and engaged in 3 types of activities that demonstrated elements of cultural competence: Supporting the Identity Aspect, Creating Communities, and Addressing Challenges. For their children’s Asian American Heritage, the parents supported the children’s Asian heritage, made connections with other Asian Americans, and helped the children deal with discrimination. For their children’s Adoptive Heritage, the parents communicated openly about the adoption, formed peer groups with other adopted children, and coped with insensitive comments from strangers about the adoption. For the children’s Euro-American Heritage, the parents encouraged development of a strong sense of self, sustained relationships with diverse peers, and worked to minimize tensions between their children’s Asian American and Euro-American heritages. The results revealed areas of strengths and limitations in the parents’ competence for supporting the interrelated aspects of the children’s identities.
Content Analysis on Singapore’s Immigration Rhetoric in the Media
Authors: Lim Clarence , Leong Chan-Hoong
Published: April 2017

The existing literature on acculturation focuses heavily on the interaction between immigrant and recipient nationals, and it rarely considers the perspectives of other players, such as the state authorities. The current study aims to illuminate on the dominant acculturation narratives and the temporal changes using content analyses on migration-related reports found in the state-controlled media. The data were drawn from official statements on immigrant–host relations enunciated by politicians, policymakers, and state authorities in Singapore between 2006 and 2011, a period where 2 national elections were held. Analysis showed overwhelming concerns on perceived realistic threats from inflow migration between 2006 and 2008; to address the electorate’s concerns, politicians stressed the common economic benefits that immigration brought to Singapore. However, between 2009 and 2011, the concerns had shifted to symbolic threats as a source of tension; policymakers responded with greater emphasis on host heritage preservation, and advocated greater in-group favoritism and recognition to the status of the Singaporean identity. The shift in narrative was further echoed in the reversal of the onus of intercultural adaptation. The political rhetoric in the first half of the study period called for Singaporeans to take ownership to ensure that valued immigrant groups adapt well (i.e., reverse assimilation). A more balanced perspective was observed in the later half with both immigrants and hosts taking a shared responsibility. Although no causal relations can be established, the findings point to the potential role and influence of the state authorities, and the sociopolitical dynamics that is unique to Singapore.
Engendering 0-D to 1-D PbCrO4 nanostructures and their visible light enabled photocatalytic H2S splitting
Authors: Qureshi N. M. , Shinde M. D. , Baeg J. O. , Kale B. B.
Published: April 2017

Nanorods (3214 μmol h−1) exhibited better photocatalytic H2S splitting than spherical nanoparticles (2054 μmol h−1) via a conventional and ultrasonication assisted co-precipitation route.
Two orders of magnitude electrokinetic stacking of proteins in one minute on a simple paper fluidic channel
Authors: Ma Biao , Xie Song-Fang , Liu Lei , Fang Fang , Wu Zhi-Yong
Published: April 2017

New insights were brought into the field amplified stacking effect implemented on a paper-based analytical device, and a model protein of bovine hemoglobin was 150-fold stacked within 60 sec.
Determination of chloride and nitrate in dimethyl carbonate using a column-switching ion chromatography system
Authors: Guo Dandan , Lou Chaoyan , Chen Meilan , Zhu Binghe , Zhang Peimin , Wang Nani , Zhu Yan
Published: April 2017

Dimethyl carbonate (DMC) is widely used in solvents, fuels, monomers, and synthesis.
PdAu bimetallic nanoparticles anchored on amine-modified mesoporous ZrSBA-15 for dehydrogenation of formic acid under ambient conditions
Authors: Wang Zhenzhen , Hao Xiufeng , Hu Dianwen , Li Lin , Song Xiaojing , Zhang Wenxiang , Jia Mingjun
Published: April 2017

Highly active catalysts for the dehydrogenation of formic acid were screened by using different amine-modified ZrSBA-15 as supports.
Carbon dioxide as a pH-switch anti-solvent for biomass fractionation and pre-treatment with aqueous hydroxide solutions
Authors: To Trang Quynh , Kenny Ceire , Cheong Soshan , Aldous Leigh
Published: April 2017

Hydroxide pre-treatment of rice husks allows enzymatic saccharification, carbon dioxide addition recovers silica, and calcium hydroxide addition completes the recycle.
Cysteine, homocysteine and glutathione guided hierarchical self-assemblies of spherical silver nanoparticles paving the way for their naked eye discrimination in human serum
Authors: Sanskriti Isha , Upadhyay K. K.
Published: April 2017

Herein, we unravel a new strategy of analyte guided self-assembly of a silver nanoprobe into three hierarchical alignments viz. flowers, thorns and petals which led to chromogenic discrimination of cysteine, homocysteine and glutathione.
On the complexation of metal cations with “pure” diethylenetriamine-N,N,N′,N′′,N′′-pentakis(methylenephosphonic) acid
Authors: Cardiano Paola , Cigala Rosalia Maria , Cordaro Massimiliano , De Stefano Concetta , Milea Demetrio , Sammartano Silvio
Published: April 2017

Complexation of various metal cations by DTPMA obtained by an efficient synthetic procedure has been investigated, assessing its sequestering ability and speciation in real systems.
A broad scope of aliphatic polyesters prepared by elimination of small molecules from sustainable 1,3-dioxolan-4-ones
Authors: Cairns Stefan A. , Schultheiss Amelie , Shaver Michael P.
Published: April 2017

We report a family of monomers that are built from renewable resources and use the elimination of small molecules to access aliphatic polyesters, circumventing challenging monomer syntheses to make these functionalism polymers.
The enhanced photocatalytic activity of g-C3N4-LaFeO3 for the water reduction reaction through a mediator free Z-scheme mechanism
Authors: Acharya S. , Mansingh S. , Parida K. M.
Published: April 2017

A g-C3N4/LaFeO3 solid–solid interface showing enhanced hydrogen production ability under visible-light irradiation through a mediator free Z-Scheme mechanism.
Self-assembly of gold nanowire networks into gold foams: production, ultrastructure and applications
Authors: Jakhmola A. , Celentano M. , Vecchione R. , Manikas A. , Battista E. , Calcagno V. , Netti P. A.
Published: April 2017

Fine-tuning the shape of nanostructured materials through easy and sustainable methods is a challenging task for green nanotechnology.
Copper-catalyzed aerobic oxidative coupling of ketones with P(O)–H compounds leading to β-ketophosphine oxides
Authors: Fu Qiang , Yi Dong , Zhang Zhijie , Liang Wu , Chen Suyuan , Yang Lu , Zhang Qiang , Ji Jianxin , Wei Wei
Published: April 2017

A facile copper-catalyzed one-pot method for the synthesis of β-ketophosphine oxides has been developed via aerobic oxidative coupling of ketones with P(O)–H compounds assisted by TBSOTf at room temperature.
DMSO-promoted regioselective synthesis of sulfenylated pyrazoles via a radical pathway
Authors: Sun Pengfei , Yang Daoshan , Wei Wei , Jiang Linhong , Wang Yuquan , Dai Tongxin , Wang Hua
Published: April 2017

Highly efficient DMSO-promoted direct sulfenylation of pyrazolones with thiols leading to C-4 sulfenylated pyrazoles has been realized under metal- and solvent-free conditions.
Design of electric field controlled molecular gates mounted on metal–organic frameworks
Authors: Tam Benjamin , Yazaydin Ozgur
Published: April 2017

Molecular gates mounted on MOFs act like nanovalves and control diffusion of molecules.
Directional electron delivery via a vertical channel between g-C3N4 layers promotes photocatalytic efficiency
Authors: Li Jieyuan , Cui Wen , Sun Yanjuan , Chu Yinghao , Cen Wanglai , Dong Fan
Published: April 2017

Mediated by intercalated alkalis between the layers of g-C3N4, a directional electron delivery channel vertical to the planes has been established, which enhances charge separation and transfer, thus significantly improving the g-C3N4 photocatalytic efficiency.
A novel near-infrared fluorescent probe with a large Stokes shift for biothiol detection and application in in vitro and in vivo fluorescence imaging
Authors: Liu Keyin , Shang Huiming , Kong Xiuqi , Lin Weiying
Published: April 2017

A novel near-infrared fluorescent probe with a large Stokes shift was developed for biothiol detection and application in in vitro and in vivo fluorescence imaging.
Control of cell proliferation in E-jet 3D-printed scaffolds for tissue engineering applications: the influence of the cell alignment angle
Authors: Liu Tong , Huang Ruiying , Zhong Juchang , Yang Yikun , Tan Zhikai , Tan Weihong
Published: April 2017

This study used E-jet 3D printing to fabricate various scaffolds for tissue engineering which could guide and improve cell growth.
Oligo(maleic anhydride)s: a platform for unveiling the mechanism of clusteroluminescence of non-aromatic polymers
Authors: Zhou Xingbang , Luo Wenwen , Nie Han , Xu Liguo , Hu Rongrong , Zhao Zujin , Qin Anjun , Tang Ben Zhong
Published: April 2017

The mechanism of clusteroluminescence has been unveiled by investigating maleic anhydride-based polymers and copolymers.
The Milky Way rotation curve revisited
Authors: Russeil D. , Zavagno A. , Mège P. , Poulin Y. , Molinari S. , Cambresy L.
Published: April 2017

The Herschel survey of the Galactic Plane (Hi-GAL) is a continuum Galactic plane survey in five wavebands at 70, 160, 250, 350 and 500 μm. From such images, about 150 000 sources have been extracted for which the distance determination is a challenge. In this context the velocity of these sources has been determined thanks to a large number of molecular data cubes. But to convert the velocity to kinematic distance, one needs to adopt a rotation curve for our Galaxy. For three different samples of tracers, we test different analytical forms. We find that the power-law expression, θ(R)/θ0 = 1.022 (R/R0)0.0803 with R0, θ0 = 8.34 kpc, 240 km s-1 is a good and easily manipulated expression for the distance determination process.
Variational Koopman models: Slow collective variables and molecular kinetics from short off-equilibrium simulations
Authors: Wu Hao , Nüske Feliks , Paul Fabian , Klus Stefan , Koltai Péter , Noé Frank
Published: April 2017

Markov state models (MSMs) and master equation models are popular approaches to approximate molecular kinetics, equilibria, metastable states, and reaction coordinates in terms of a state space discretization usually obtained by clustering. Recently, a powerful generalization of MSMs has been introduced, the variational approach conformation dynamics/molecular kinetics (VAC) and its special case the time-lagged independent component analysis (TICA), which allow us to approximate slow collective variables and molecular kinetics by linear combinations of smooth basis functions or order parameters. While it is known how to estimate MSMs from trajectories whose starting points are not sampled from an equilibrium ensemble, this has not yet been the case for TICA and the VAC. Previous estimates from short trajectories have been strongly biased and thus not variationally optimal. Here, we employ the Koopman operator theory and the ideas from dynamic mode decomposition to extend the VAC and TICA to non-equilibrium data. The main insight is that the VAC and TICA provide a coefficient matrix that we call Koopman model, as it approximates the underlying dynamical (Koopman) operator in conjunction with the basis set used. This Koopman model can be used to compute a stationary vector to reweight the data to equilibrium. From such a Koopman-reweighted sample, equilibrium expectation values and variationally optimal reversible Koopman models can be constructed even with short simulations. The Koopman model can be used to propagate densities, and its eigenvalue decomposition provides estimates of relaxation time scales and slow collective variables for dimension reduction. Koopman models are generalizations of Markov state models, TICA, and the linear VAC and allow molecular kinetics to be described without a cluster discretization.
Sub- and supercritical jet disintegration
Authors: DeSouza Shaun , Segal Corin
Published: April 2017

Shadowgraph visualization and Planar Laser Induced Fluorescence (PLIF) are applied to single orifice injection in the same facility and same fluid conditions to analyze sub- to supercritical jet disintegration and mixing. The comparison includes jet disintegration and lateral spreading angle. The results indicate that the shadowgraph data are in agreement with previous visualization studies but differ from the PLIF results that provided quantitative measurement of central jet plane density and density gradients. The study further evaluated the effect of thermodynamic conditions on droplet production and quantified droplet size and distribution. The results indicate an increase in the normalized drop diameter and a decrease in the droplet population with increasing chamber temperatures. Droplet size and distribution were found to be independent of chamber pressure.
A singular vortex Rossby wave packet within a rapidly rotating vortex
Authors: Caillol Philippe
Published: April 2017

This paper describes the quasi-steady régime attained by a rapidly rotating vortex after a wave packet has interacted with it. We consider singular, nonlinear, helical, and shear asymmetric modes within a linearly stable, columnar, axisymmetric, and dry vortex in the f-plane. The normal modes enter resonance with the vortex at a certain radius rc, where the phase angular speed is equal to the rotation frequency. The related singularity in the modal equation at rc strongly modifies the flow in the 3D helical critical layer, the region where the wave/vortex interaction occurs. This interaction induces a secondary mean flow of higher amplitude than the wave packet and that diffuses at either side of the critical layer inside two spiral diffusion boundary layers. We derive the leading-order equations of the system of nonlinear coupled partial differential equations that govern the slowly evolving amplitudes of the wave packet and induced mean flow a long time after this interaction started. We show that the critical layer imposes its proper scalings and evolution equations; in particular, two slow times are involved, the faster being secular. This system leads to a more complex dynamics with respect to the previous studies on wave packets where this coupling was omitted and where, for instance, a nonlinear Schrödinger equation was derived [D. J. Benney and S. A. Maslowe, “The evolution in space and time of nonlinear waves in parallel shear flows,” Stud. Appl. Math. 54, 181 (1975)]. Matched asymptotic expansion method lets appear that the neutral modes are distorted. The main outcome is that a stronger wave/vortex interaction takes place when a wave packet is considered with respect to the case of a single mode. Numerical simulations of the leading-order inviscid Burgers-like equations of the derived system show that the wave packet rapidly breaks and that the vortex, after intensifying in the transition stage, is substantially weakened before the breaking onset. This breaking could give a dynamical explanation of the formation of an inner spiral band through the prism of the critical layer theory.
Perspective: Dissipative particle dynamics
Authors: Español Pep , Warren Patrick B.
Published: April 2017

Dissipative particle dynamics (DPD) belongs to a class of models and computational algorithms developed to address mesoscale problems in complex fluids and soft matter in general. It is based on the notion of particles that represent coarse-grained portions of the system under study and allow, therefore, reaching time and length scales that would be otherwise unreachable from microscopic simulations. The method has been conceptually refined since its introduction almost twenty five years ago. This perspective surveys the major conceptual improvements in the original DPD model, along with its microscopic foundation, and discusses outstanding challenges in the field. We summarize some recent advances and suggest avenues for future developments.
Potential of mean force for insertion of antimicrobial peptide melittin into a pore in mixed DOPC/DOPG lipid bilayer by molecular dynamics simulation
Authors: Lyu Yuan , Xiang Ning , Zhu Xiao , Narsimhan Ganesan
Published: April 2017

Antimicrobial peptides (AMPs) inactivate microorganisms by forming transmembrane pores in a cell membrane through adsorption and aggregation. Energetics of addition of an AMP to a transmembrane pore is important for evaluation of its formation and growth. Such information is essential for the characterization of pore forming ability of peptides in cell membranes. This study quantifies the potential of mean force through molecular dynamics (MD) simulation for the addition of melittin, a naturally occurring AMP, into a DOPC/DOPG mixed bilayer, a mimic of bacterial membrane, for different extents of insertion into either a bilayer or a pore consisting of three to six transmembrane peptides. The energy barrier for insertion of a melittin molecule into the bilayer was highest in the absence of transmembrane peptides and decreased for the number of transmembrane peptides from three to six, eventually approaching zero. The decrease in free energy for complete insertion of peptide was found to be higher for larger pore size. Water channel formation occurred only for insertion into pores consisting of three or more transmembrane peptides with the radius of water channel being larger for a larger number of transmembrane peptides. The structure of the pore was found to be paraboloid. The estimated free energy barrier for insertion of melittin into an ideal paraboloid pore accounting for different intermolecular interactions was consistent with MD simulation results. The results reported in this manuscript will be useful for the development of a model for nucleation of pores and a rational methodology for selection of synthetic antimicrobial peptides.
An EQT-based cDFT approach for thermodynamic properties of confined fluid mixtures
Authors: Motevaselian M. H. , Aluru N. R.
Published: April 2017

We present an empirical potential-based quasi-continuum theory (EQT) to predict the structure and thermodynamic properties of confined fluid mixtures. The central idea in the EQT is to construct potential energies that integrate important atomistic details into a continuum-based model such as the Nernst-Planck equation. The EQT potentials can be also used to construct the excess free energy functional, which is required for the grand potential in the classical density functional theory (cDFT). In this work, we use the EQT-based grand potential to predict various thermodynamic properties of a confined binary mixture of hydrogen and methane molecules inside graphene slit channels of different widths. We show that the EQT-cDFT predictions for the structure, surface tension, solvation force, and local pressure tensor profiles are in good agreement with the molecular dynamics simulations. Moreover, we study the effect of different bulk compositions and channel widths on the thermodynamic properties. Our results reveal that the composition of methane in the mixture can significantly affect the ordering of molecules and thermodynamic properties under confinement. In addition, we find that graphene is selective to methane molecules.
Rise time of proton cut-off energy in 2D and 3D PIC simulations
Authors: Babaei J. , Gizzi L. A. , Londrillo P. , Mirzanejad S. , Rovelli T. , Sinigardi S. , Turchetti G.
Published: April 2017

The Target Normal Sheath Acceleration regime for proton acceleration by laser pulses is experimentally consolidated and fairly well understood. However, uncertainties remain in the analysis of particle-in-cell simulation results. The energy spectrum is exponential with a cut-off, but the maximum energy depends on the simulation time, following different laws in two and three dimensional (2D, 3D) PIC simulations so that the determination of an asymptotic value has some arbitrariness. We propose two empirical laws for the rise time of the cut-off energy in 2D and 3D PIC simulations, suggested by a model in which the proton acceleration is due to a surface charge distribution on the target rear side. The kinetic energy of the protons that we obtain follows two distinct laws, which appear to be nicely satisfied by PIC simulations, for a model target given by a uniform foil plus a contaminant layer that is hydrogen-rich. The laws depend on two parameters: the scaling time, at which the energy starts to rise, and the asymptotic cut-off energy. The values of the cut-off energy, obtained by fitting 2D and 3D simulations for the same target and laser pulse configuration, are comparable. This suggests that parametric scans can be performed with 2D simulations since 3D ones are computationally very expensive, delegating their role only to a correspondence check. In this paper, the simulations are carried out with the PIC code ALaDyn by changing the target thickness L and the incidence angle α, with a fixed a0 = 3. A monotonic dependence, on L for normal incidence and on α for fixed L, is found, as in the experimental results for high temporal contrast pulses.
Symmetry properties of macroscopic transport coefficients in porous media
Authors: Lasseux D. , Valdés-Parada F. J.
Published: April 2017

We report on symmetry properties of tensorial effective transport coefficients characteristic of many transport phenomena in porous systems at the macroscopic scale. The effective coefficients in the macroscopic models (derived by upscaling (volume averaging) the governing equations at the underlying scale) are obtained from the solution of closure problems that allow passing the information from the lower to the upper scale. The symmetry properties of the macroscopic coefficients are identified from a formal analysis of the closure problems and this is illustrated for several different physical mechanisms, namely, one-phase flow in homogeneous porous media involving inertial effects, slip flow in the creeping regime, momentum transport in a fracture relying on the Reynolds model including slip effects, single-phase flow in heterogeneous porous media embedding a porous matrix and a clear fluid region, two-phase momentum transport in homogeneous porous media, as well as dispersive heat and mass transport. The results from the analysis of these study cases are summarized as follows. For inertial single-phase flow, the apparent permeability tensor is irreducibly decomposed into its symmetric (viscous) and skew-symmetric (inertial) parts; for creeping slip-flow, the apparent permeability tensor is not symmetric; for one-phase slightly compressible gas flow in the slip regime within a fracture, the effective transmissivity tensor is symmetric, a result that remains valid in the absence of slip; for creeping one-phase flow in heterogeneous media, the permeability tensor is symmetric; for two-phase flow, we found the dominant permeability tensors to be symmetric, whereas the coupling tensors do not exhibit any special symmetry property; finally for dispersive heat transfer, the thermal conductivity tensors include a symmetric and a skew-symmetric part, the latter being a consequence of convective transport only. A similar result is achieved for mass dispersion. Beyond the physical mechanisms under consideration in the present work, the reported technique can be viewed as a general methodology applicable to any type of upscaled model obtained by volume averaging.
Filling fraction of Yb in CoSb3 Skutterudite studied by electron microscopy
Authors: Wang Yumei , Mao Jun , Jie Qing , Ge Binghui , Ren Zhifeng
Published: April 2017

The filling fraction limit in filled Skutterudites plays a critical role in thermoelectric properties; however, the exact filling fraction limit for certain fillers is still in debate. In this work, we observed the lattice distortion, where lattice parameters a and b are unequal, in the annealed Yb-filled CoSb3. Microstructure characterization by advanced spherical aberration-corrected (CS-corrected) electron microscopy, energy-dispersive X-ray spectroscopy, and electron energy loss spectroscopy in conjunction with thermoelectric characterization clearly proves that the Yb filling fraction is higher in the annealed sample (with lattice distortion) than in the ball-milled sample (without lattice distortion). Therefore, the results indicate that lattice distortion appears when the Yb filling fraction reaches a certain critical value in CoSb3 Skutterudites. The observed lattice distortion provides an alternative approach to probe the filling fraction in filled Skutterudites.
Instrumentation and control of harmonic oscillators via a single-board microprocessor-FPGA device
Authors: Picone Rico A. R. , Davis Solomon , Devine Cameron , Garbini Joseph L. , Sidles John A.
Published: April 2017

We report the development of an instrumentation and control system instantiated on a microprocessor-field programmable gate array (FPGA) device for a harmonic oscillator comprising a portion of a magnetic resonance force microscope. The specific advantages of the system are that it minimizes computation, increases maintainability, and reduces the technical barrier required to enter the experimental field of magnetic resonance force microscopy. Heterodyne digital control and measurement yields computational advantages. A single microprocessor-FPGA device improves system maintainability by using a single programming language. The system presented requires significantly less technical expertise to instantiate than the instrumentation of previous systems, yet integrity of performance is retained and demonstrated with experimental data.
Reduction of granular drag inspired by self-burrowing rotary seeds
Authors: Jung Wonjong , Choi Sung Mok , Kim Wonjung , Kim Ho-Young
Published: April 2017

We present quantitative measurements and mat hematical analysis of the granular drag reduction by rotation, as motivated by the digging of Erodium and Pelargonium seeds. The seeds create a motion to dig into soil before germination using their moisture-responsive awns, which are originally helical shaped but reversibly deform to a linear configuration in a humid environment. We show that the rotation greatly lowers the resistance of soil against penetration because grain rearrangements near the intruder change the force chain network. We find a general correlation for the drag reduction by relative slip, leading to a mathematical model for the granular drag of a rotating intruder. In addition to shedding light on the mechanics of a rotating body in granular media, this work can guide us to design robots working in granular media with enhanced maneuverability.
Comb-locked cavity ring-down saturation spectroscopy
Authors: Wang J. , Sun Y. R. , Tao L.-G. , Liu A.-W. , Hua T.-P. , Meng F. , Hu S.-M.
Published: April 2017

We present a new method of comb-locked cavity ring-down spectroscopy for the Lamb-dip measurement of molecular ro-vibrational transitions. By locking both the probe laser frequency and a temperature-stabilized high-finesse cavity to an optical frequency comb, we realize saturation spectroscopy of molecules with kilohertz accuracy. The technique is demonstrated by recording the R(9) line in the υ = 3 − 0 overtone band of CO near 1567 nm. The Lamb-dip spectrum of such a weak line (transition rate 0.0075 s−1) is obtained using an input laser power of only 3 mW, and the position is determined to be 191 360 212 770 kHz with an uncertainty of 7 kHz (δν/ν∼3.5×10−11), which is currently limited by our rubidium clock.
Resonance efficiency enhancement for cylindrical vector fiber laser with optically induced long period grating
Authors: Zhou Y. , Yan K. , Chen R. S. , Gu C. , Xu L. X. , Wang A. T. , Zhan Q.
Published: April 2017

We demonstrated an all fiber laser using a few mode distributed Bragg reflector with a cylindrical vector beam output. The resonance efficiency experiences a sudden change from 13.26% to 32.48% when the pump reaches a threshold-like power level. We attribute the origin of this phenomenon to the optically introduced long period grating caused by the transversal hole burning in the double clad Yb-doped fiber. This is confirmed by numerical simulations of the transversal hole burning influences on the laser operation. Four states of cylindrical vector beams with high modal symmetry are obtained through adjusting the laser polarization.
Bending-durable colloidal quantum dot solar cell using a ZnO nanowire array as a three-dimensional electron transport layer
Authors: Wang Yinglin , Su Wei , Zang Shuaipu , Li Meiying , Zhang Xintong , Liu Yichun
Published: April 2017

The realization of both high efficiency and strong bending-durability is a critical issue for future applications of colloidal quantum dot solar cells (CQDSCs) in flexible devices. Herein, we fabricated flexible CQDSCs with a three-dimensional electron transport layer (ETL) composed of a ZnO nanowire (NW) array for efficient carrier collection and probed the effect of the NW array on the bendability of flexible cells. The good bendability of cells with ZnO NWs was verified from the consistency of photovoltaic performance during mechanical bending treatment with various bending angles and cycles. The efficient release of stress inside the three-dimensional CQDSCs with the ZnO NW array led to the maintenance of 97% of the initial power conversion efficiency at a bending angle of 160°. In contrast, crack formation on the common planar ETL of CQDSCs formed by ZnO nanoparticles resulted in a degradation of device performance to 77% of the initial one at the same angle. Our research demonstrated that the bending stability of the ZnO NW array may be promising for commercial applications of flexible photovoltaic devices.
Grüneisen parameter for strongly coupled Yukawa systems
Authors: Khrapak Sergey A.
Published: April 2017

The Grüneisen parameter is evaluated for three-dimensional Yukawa systems in the strongly coupled regime. A simple analytical expression is derived from the thermodynamic consideration and its structure is analysed in detail. Possible applications are briefly discussed.
Intensity improvement of shock waves induced by liquid electrical discharges
Authors: Liu Yi , Li Zhi-Yuan , Li Xian-Dong , Liu Si-Wei , Zhou Gu-Yue , Lin Fu-Chang
Published: April 2017

When shock waves induced by pulsed electrical discharges in dielectric liquids are widely applied in industrial fields, it is necessary to improve the energy transfer efficiency from electrical energy to mechanical energy to improve the shock wave intensity. In order to investigate the effect of the plasma channel length created by the liquid electrical discharge on the shock wave intensity, a test stand of dielectric liquid pulsed electrical discharge is designed and constructed. The main capacitor is 3 μF, and the charging voltage is 0–30 kV. Based on the needle-needle electrode geometry with different gap distances, the intensities of shock waves corresponding to the electrical parameters, the relationship between the plasma channel length and the deposited energy, and the time-resolved observation of the plasma channel development by a high speed camera are presented and compared. The shock wave intensity is closely related to the power and energy dissipated into the plasma channel. The longer plasma channel and the quicker arc expansion can lead to a higher power and energy deposited into the plasma channel, which can activate a stronger shock wave.
Relativistic backward wave oscillator operating in TM02 with cutoff-type resonant reflector
Authors: Teng Yan , Shi Yanchao , Yang Dewen , Cao Yibing , Zhang Zhijun
Published: April 2017

This paper proposes an overmoded relativistic backward wave oscillator (RBWO) operating in the TM02 mode with the cutoff-type resonant reflector characterized by the advantages of the cutoff neck and the single resonant cavity. In order to protect the explosive emission of the annular cathode from the disturbance of the microwave leakage, the cutoff-type resonant reflector can effectively prevent the microwave consisting of several modes from propagating into the diode region. Attributed to the strong reflections caused by the cutoff-type resonant reflector at the front end of the overmoded slow-wave structure (SWS), the overmoded RBWO works in the state of the strong resonance, which enhances the beam-to-microwave power conversion efficiency. TM02 is selected as the operation mode so as to increase the power handling capability. The nonuniform SWS depresses the cross-excitation of the unwanted longitudinal modes of TM02 and improves the synchronous interaction between the electron beam and the structure wave. It is found that when we make the peak values of the longitudinal electric field and the modulated current appear nearly at the same position in the overmoded SWS by optimizing the electrodynamic structure, the conversion efficiency will be enhanced significantly. In the numerical simulation, the microwave generation with power 2.99 GW and efficiency 0.45 is obtained under the diode voltage 851 kV and current 7.8 kA with the guide magnetic field of 4.3 T. The microwave generation with the pure frequency spectrum of 10.083 GHz radiates in the TM01 mode. The conversion efficiency keeps above 0.40 over the diode voltage range of 220 kV.
Role of hydrogen carrier gas on the growth of few layer hexagonal boron nitrides by metal-organic chemical vapor deposition
Authors: Kim Dong Yeong , Han Nam , Jeong Hokyeong , Kim Jaewon , Hwang Sunyong , Kim Jong Kyu
Published: April 2017

Few layer hexagonal boron nitride (h-BN) films were grown on 2-inch sapphire substrates by using metal-organic chemical vapor deposition (MOCVD) with two different carrier gases, hydrogen (H2) and nitrogen (N2). Structural, optical and electrical properties of the MOCVD-grown h-BN films were systematically investigated by various spectroscopic analyses and electrical conduction measurement. Based on the experimental findings including narrower X-ray photoelectron spectra, reduced intensity of the shoulder peaks in near edge X-ray absorption fine structure spectra, and decreased electrical conduction by more than three orders of magnitude when H2 carrier gas is employed, it was concluded that H2 has an advantage over N2 as the carrier gas for MOCVD growth of h-BN which is attributed to the healing of crystalline defects by etching and regrowth processes occurring under the pulsed source-injection mode.
Actin filament assembly by bacterial factors VopL/F: Which end is up?
Authors: Vizcarra Christina L. , Quinlan Margot E.
Published: April 2017

Competing models have been proposed for actin filament nucleation by the bacterial proteins VopL/F. In this issue, Burke et al. (2017. J. Cell Biol. https://doi.org/10.1083/jcb.201608104) use direct observation to demonstrate that VopL/F bind the barbed and pointed ends of actin filaments but only nucleate new filaments from the pointed end.
Stardust, the Janus-faced partner of Crumbs
Authors: Das Shradha , Knust Elisabeth
Published: April 2017

The Drosophila melanogaster scaffolding protein Stardust (Sdt) stabilizes the transmembrane protein Crumbs, a conserved regulator of apical–basal epithelial polarity. In this issue, Perez-Mockus et al. (2017. J. Cell Biol. https://doi.org/10.1083/jcb.201611196) report that a subset of Sdt isoforms are targeted by the ubiquitin ligase Neuralized, thus fine tuning the endocytosis and activity of this apical determinant.