bluuebunny/crossref_metadata_2025 huggingface dataset:
Structural decoding of netrin-4 reveals a regulatory function towards mature basement membranes
Authors: Reuten Raphael , Patel Trushar R. , McDougall Matthew , Rama Nicolas , Nikodemus Denise , Gibert Benjamin , Delcros Jean-Guy , Prein Carina , Meier Markus , Metzger Stéphanie , Zhou Zhigang , Kaltenberg Jennifer , McKee Karen K. , Bald Tobias , Tüting Thomas , Zigrino Paola , Djonov Valentin , Bloch Wilhelm , Clausen-Schaumann Hauke , Poschl Ernst , Yurchenco Peter D. , Ehrbar Martin , Mehlen Patrick , Stetefeld Jörg , Koch Manuel
Published: November 2016

Netrins, a family of laminin-related molecules, have been proposed to act as guidance cues either during nervous system development or the establishment of the vascular system. This was clearly demonstrated for netrin-1 via its interaction with the receptors DCC and UNC5s. However, mainly based on shared homologies with netrin-1, netrin-4 was also proposed to play a role in neuronal outgrowth and developmental/pathological angiogenesis via interactions with netrin-1 receptors. Here, we present the high-resolution structure of netrin-4, which shows unique features in comparison with netrin-1, and show that it does not bind directly to any of the known netrin-1 receptors. We show that netrin-4 disrupts laminin networks and basement membranes (BMs) through high-affinity binding to the laminin γ1 chain. We hypothesize that this laminin-related function is essential for the previously described effects on axon growth promotion and angiogenesis. Our study unveils netrin-4 as a non-enzymatic extracellular matrix protein actively disrupting pre-existing BMs.
Multifunctional non-woven fabrics of interfused graphene fibres
Authors: Li Zheng , Xu Zhen , Liu Yingjun , Wang Ran , Gao Chao
Published: November 2016

Carbon-based fibres hold promise for preparing multifunctional fabrics with electrical conductivity, thermal conductivity, permeability, flexibility and lightweight. However, these fabrics are of limited performance mainly because of the weak interaction between fibres. Here we report non-woven graphene fibre fabrics composed of randomly oriented and interfused graphene fibres with strong interfibre bonding. The all-graphene fabrics obtained through a wet-fusing assembly approach are porous and lightweight, showing high in-plane electrical conductivity up to ∼2.8 × 104S m−1 and prominent thermal conductivity of ∼301.5 W m−1K−1. Given the low density (0.22 g cm−3), their specific electrical and thermal conductivities set new records for carbon-based papers/fabrics and even surpass those of individual graphene fibres. The as-prepared fabrics are further used as ultrafast responding electrothermal heaters and durable oil-adsorbing felts, demonstrating their great potential as high-performance and multifunctional fabrics in real-world applications.
Pacific Ocean decadal forcing of long-term changes in the western Pacific subtropical high
Authors: Matsumura Shinji , Horinouchi Takeshi
Published: November 2016

The western Pacific subtropical high (WPSH) has a significant effect on droughts, heat waves, and tropical cyclone tracks over East Asia and the northwest Pacific. The WPSH has intensified during the past three decades, but its causes are not yet well understood. Here we show that the Pacific Decadal Oscillation (PDO) is responsible for the long-term changes in the WPSH through the meridional shift of the subtropical jet, based on comprehensive data analysis and model results. El Niño–Southern Oscillation (ENSO) is the leading forcing of WPSH variability over interannual timescales, whereas the PDO accounts for its low-frequency variability, resulting in it being independent of ENSO with regard to WPSH variability. The PDO in summer can be interpreted as a coupling with the WPSH. Our results provide useful information for projecting long-term changes in the WPSH.
MediBoost: a Patient Stratification Tool for Interpretable Decision Making in the Era of Precision Medicine
Authors: Valdes Gilmer , Luna José Marcio , Eaton Eric , Simone Charles B. , Ungar Lyle H. , Solberg Timothy D.
Published: November 2016

Machine learning algorithms that are both interpretable and accurate are essential in applications such as medicine where errors can have a dire consequence. Unfortunately, there is currently a tradeoff between accuracy and interpretability among state-of-the-art methods. Decision trees are interpretable and are therefore used extensively throughout medicine for stratifying patients. Current decision tree algorithms, however, are consistently outperformed in accuracy by other, less-interpretable machine learning models, such as ensemble methods. We present MediBoost, a novel framework for constructing decision trees that retain interpretability while having accuracy similar to ensemble methods, and compare MediBoost’s performance to that of conventional decision trees and ensemble methods on 13 medical classification problems. MediBoost significantly outperformed current decision tree algorithms in 11 out of 13 problems, giving accuracy comparable to ensemble methods. The resulting trees are of the same type as decision trees used throughout clinical practice but have the advantage of improved accuracy. Our algorithm thus gives the best of both worlds: it grows a single, highly interpretable tree that has the high accuracy of ensemble methods.
Macrophage-dependent tumor cell transendothelial migration is mediated by Notch1/MenaINV-initiated invadopodium formation
Authors: Pignatelli Jeanine , Bravo-Cordero Jose Javier , Roh-Johnson Minna , Gandhi Saumil J. , Wang Yarong , Chen Xiaoming , Eddy Robert J. , Xue Alice , Singer Robert H. , Hodgson Louis , Oktay Maja H. , Condeelis John S.
Published: November 2016

The process of intravasation involving transendothelial migration is a key step in metastatic spread. How the triple cell complex composed of a macrophage, Mena over-expressing tumor cell and endothelial cell, called the tumor microenvironment of metastasis (TMEM), facilitates tumor cell transendothelial migration is not completely understood. Previous work has shown that the physical contact between a macrophage and tumor cell results in the formation of invadopodia, actin-rich matrix degrading protrusions, important for tumor cell invasion and transendothelial migration and tumor cell dissemination. Herein, we show that the macrophage-induced invadopodium is formed through a Notch1/MenaINV signaling pathway in the tumor cell upon macrophage contact. This heterotypic tumor cell – macrophage interaction results in the upregulation of MenaINV through the activation of MENA transcription. Notch1 and MenaINV expression are required for tumor cell transendothelial migration, a necessary step during intravasation. Inhibition of the Notch signaling pathway blocked macrophage-induced invadopodium formation in vitro and the dissemination of tumor cells from the primary tumor in vivo. Our findings indicate a novel role for Notch1 signaling in the regulation of MenaINV expression and transendothelial migration and provide mechanistic information essential to the use of therapeutic inhibitors of metastasis.
Survey of the green picoalga Bathycoccus genomes in the global ocean
Authors: Vannier Thomas , Leconte Jade , Seeleuthner Yoann , Mondy Samuel , Pelletier Eric , Aury Jean-Marc , de Vargas Colomban , Sieracki Michael , Iudicone Daniele , Vaulot Daniel , Wincker Patrick , Jaillon Olivier
Published: November 2016

Bathycoccus is a cosmopolitan green micro-alga belonging to the Mamiellophyceae, a class of picophytoplankton that contains important contributors to oceanic primary production. A single species of Bathycoccus has been described while the existence of two ecotypes has been proposed based on metagenomic data. A genome is available for one strain corresponding to the described phenotype. We report a second genome assembly obtained by a single cell genomics approach corresponding to the second ecotype. The two Bathycoccus genomes are divergent enough to be unambiguously distinguishable in whole DNA metagenomic data although they possess identical sequence of the 18S rRNA gene including in the V9 region. Analysis of 122 global ocean whole DNA metagenome samples from the Tara-Oceans expedition reveals that populations of Bathycoccus that were previously identified by 18S rRNA V9 metabarcodes are only composed of these two genomes. Bathycoccus is relatively abundant and widely distributed in nutrient rich waters. The two genomes rarely co-occur and occupy distinct oceanic niches in particular with respect to depth. Metatranscriptomic data provide evidence for gain or loss of highly expressed genes in some samples, suggesting that the gene repertoire is modulated by environmental conditions.
Obesity- and gender-dependent role of endogenous somatostatin and cortistatin in the regulation of endocrine and metabolic homeostasis in mice
Authors: Luque Raúl M. , Cordoba-Chacon José , Pozo-Salas Ana I. , Porteiro Begoña , de Lecea Luis , Nogueiras Rubén , Gahete Manuel D. , Castaño Justo P.
Published: November 2016

Somatostatin (SST) and cortistatin (CORT) regulate numerous endocrine secretions and their absence [knockout (KO)-models] causes important endocrine-metabolic alterations, including pituitary dysregulations. We have demonstrated that the metabolic phenotype of single or combined SST/CORT KO-models is not drastically altered under normal conditions. However, the biological actions of SST/CORT are conditioned by the metabolic-status (e.g. obesity). Therefore, we used male/female SST- and CORT-KO mice fed low-fat (LF) or high-fat (HF) diet to explore the interplay between SST/CORT and obesity in the control of relevant pituitary-axes and whole-body metabolism. Our results showed that the SST/CORT role in the control of GH/prolactin secretions is maintained under LF- and HF-diet conditions as SST-KOs presented higher GH/prolactin-levels, while CORT-KOs displayed higher GH- and lower prolactin-levels than controls under both diets. Moreover, the impact of lack of SST/CORT on the metabolic-function was gender- and diet-dependent. Particularly, SST-KOs were more sensitive to HF-diet, exhibiting altered growth and body-composition (fat/lean percentage) and impaired glucose/insulin-metabolism, especially in males. Conversely, only males CORT-KO under LF-diet conditions exhibited significant alterations, displaying higher glucose-levels and insulin-resistance. Altogether, these data demonstrate a tight interplay between SST/CORT-axis and the metabolic status in the control of endocrine/metabolic functions and unveil a clear dissociation of SST/CORT roles.
Low frequency piezoresonance defined dynamic control of terahertz wave propagation
Authors: Dutta Moumita , Betal Soutik , Peralta Xomalin G. , Bhalla Amar S. , Guo Ruyan
Published: November 2016

Phase modulators are one of the key components of many applications in electromagnetic and opto-electric wave propagations. Phase-shifters play an integral role in communications, imaging and in coherent material excitations. In order to realize the terahertz (THz) electromagnetic spectrum as a fully-functional bandwidth, the development of a family of efficient THz phase modulators is needed. Although there have been quite a few attempts to implement THz phase modulators based on quantum-well structures, liquid crystals, or meta-materials, significantly improved sensitivity and dynamic control for phase modulation, as we believe can be enabled by piezoelectric-resonance devices, is yet to be investigated. In this article we provide an experimental demonstration of phase modulation of THz beam by operating a ferroelectric single crystal LiNbO3 film device at the piezo-resonance. The piezo-resonance, excited by an external a.c. electric field, develops a coupling between electromagnetic and lattice-wave and this coupling governs the wave propagation of the incident THz beam by modulating its phase transfer function. We report the understanding developed in this work can facilitate the design and fabrication of a family of resonance-defined highly sensitive and extremely low energy sub-millimeter wave sensors and modulators.
Design and fabrication of six-volt vertically-stacked GaAs photovoltaic power converter
Authors: Zhao Yongming , Sun Yurun , He Yang , Yu Shuzhen , Dong Jianrong
Published: November 2016

A six-volt vertically-stacked, high current GaAs photovoltaic power converter (PPC) has been designed and fabricated to produce output power over 1 W under monochromatic illumination. An N++-GaAs/P++-AlGaAs tunnel junctions (TJs) structure has been used for connecting each sub-cell in this vertically-stacked PPC device. The thickness of the each GaAs sub-cell has been derived based on the calculation of absorption depth of photons with a wavelength of 808 nm using absorption coefficient obtained from ellipsometry measurements. The devices were characterized under non-uniform CW laser illumination at 808 nm with incident power up to 4.1 W. A maximum conversion efficiency of 50.2% was achieved at 0.3 W under non-uniform (coupled in optical fiber) monochromatic illumination, dropping to 42.5% at 4.1 W. The operating voltage at the maximum power point is 5.5–6.0 V, depending on the incident laser power, and an output electrical power output of 1.3 W can be extracted at a laser power of 2.9 W and the maximum electrical power output amounts to 1.72 W. The external quantum efficiency (EQE) measurement indicates that the performance of PPC can be further improved by refining the design of the thickness of sub-cells and improving TJs.
Glycycoumarin inhibits hepatocyte lipoapoptosis through activation of autophagy and inhibition of ER stress/GSK-3-mediated mitochondrial pathway
Authors: Zhang Enxiang , Yin Shutao , Song Xinhua , Fan Lihong , Hu Hongbo
Published: November 2016

Herbal medicine as an alternative approach in the treatment of disease has drawn growing attention. Identification of the active ingredient is needed for effective utilization of the herbal medicine. Licorice is a popular herbal plant that is widely used to treat various diseases including liver diseases. Glycycoumarin (GCM) is a representative of courmarin compounds isolated from licorice. In the present study, the protective effect of GCM on hepatocyte lipoapoptosis has been evaluated using both cell culture model of palmitate-induced lipoapoptosis and animal model of non-alcoholic steatohepatitis (NASH). The results demonstrated for the first time that GCM was highly effective in suppressing hepatocyte lipoapoptosis in both in vitro and in vivo. Mechanistically, GCM was able to re-activate the impaired autophagy by lipid metabolic disorders. In line with the activation of autophagy, ER stress-mediated JNK and mitochondrial apoptotic pathway activation was inhibited by GCM both in vitro and in vivo. In addition, inactivation of GSK-3 might also contribute to the protective effect of GCM on hepatocyte lipoapoptosis. Our findings supported GCM as a novel active component of licorice against non-alcoholic fatty liver disease (NAFLD).
Optogenetic clustering of CNK1 reveals mechanistic insights in RAF and AKT signalling controlling cell fate decisions
Authors: Fischer Adrian , Warscheid Bettina , Weber Wilfried , Radziwill Gerald
Published: November 2016

Scaffold proteins such as the multidomain protein CNK1 orchestrate the signalling network by integrating and controlling the underlying pathways. Using an optogenetic approach to stimulate CNK1 uncoupled from upstream effectors, we identified selective clusters of CNK1 that either stimulate RAF-MEK-ERK or AKT signalling depending on the light intensity applied. OptoCNK1 implemented in MCF7 cells induces differentiation at low light intensity stimulating ERK activity whereas stimulation of AKT signalling by higher light intensity promotes cell proliferation. CNK1 clustering in response to increasing EGF concentrations revealed that CNK1 binds to RAF correlating with ERK activation at low EGF dose. At higher EGF dose active AKT binds to CNK1 and phosphorylates and inhibits RAF. Knockdown of CNK1 protects CNK1 from this AKT/RAF crosstalk. In C2 skeletal muscle cells CNK1 expression is induced with the onset of differentiation. Hence, AKT-bound CNK1 counteracts ERK stimulation in differentiated but not in proliferating cells. Ectopically expressed CNK1 facilitates C2 cell differentiation and knockdown of CNK1 impaired the transcriptional network underlying C2 cell differentiation. Thus, CNK1 expression, CNK1 clustering and the thereto related differential signalling processes decide on proliferation and differentiation in a cell type- and cell stage-dependent manner by orchestrating AKT and RAF signalling.
Programmed necrosis - a new mechanism of steroidogenic luteal cell death and elimination during luteolysis in cows
Authors: Hojo Takuo , Siemieniuch Marta J. , Lukasik Karolina , Piotrowska-Tomala Katarzyna K. , Jonczyk Agnieszka W. , Okuda Kiyoshi , Skarzynski Dariusz J.
Published: November 2016

Programmed necrosis (necroptosis) is an alternative form of programmed cell death that is regulated by receptor-interacting protein kinase (RIPK) 1 and 3-dependent, but is a caspase (CASP)-independent pathway. In the present study, to determine if necroptosis participates in bovine structural luteolysis, we investigated RIPK1 and RIPK3 expression throughout the estrous cycle, during prostaglandin F2α (PGF)-induced luteolysis in the bovine corpus luteum (CL), and in cultured luteal steroidogenic cells (LSCs) after treatment with selected luteolytic factors. In addition, effects of a RIPK1 inhibitor (necrostatin-1, Nec-1; 50 μM) on cell viability, progesterone secretion, apoptosis related factors and RIPKs expression, were evaluated. Expression of RIPK1 and RIPK3 increased in the CL tissue during both spontaneous and PGF-induced luteolysis (P < 0.05). In cultured LSCs, tumor necrosis factor α (TNF; 2.3 nM) in combination with interferon γ (IFNG; 2.5 nM) up-regulated RIPK1 mRNA and protein expression (P < 0.05). TNF + IFNG also up-regulated RIPK3 mRNA expression (P < 0.05), but not RIPK3 protein. Although Nec-1 prevented TNF + IFNG-induced cell death (P < 0.05), it did not affect CASP3 and CASP8 expression. Nec-1 decreased both RIPK1 and RIPK3 protein expression (P < 0.05). These findings suggest that RIPKs-dependent necroptosis is a potent mechanism responsible for bovine structural luteolysis induced by pro-inflammatory cytokines.
Computational Studies of Receptors
Authors: Musgaard Maria , Biggin Philip C.
Published: November 2016

Cell surface receptors are the principle molecules by which communication is managed between cells. They are essential, for example, in the transmission of neuronal signals in the brain and central nervous system. The propagation of the signal involves conformational changes in the receptor that can sometimes be quite large. Thus, as they are inherently dynamic molecules, computational methods such as normal modes and molecular dynamics are ideally suited to studying receptors in atomistic detail and can provide unique insight that would otherwise be impossible to obtain. In this chapter, we illustrate, with some recent examples, the various approaches that have been taken in recent years and the kind of information that can be gleaned. As computer power continues to increase, so will the scale and sophistication of the problems that these methods can address.
Ligand density quantification on colloidal inorganic nanoparticles
Authors: Smith Ashley M. , Johnston Kathryn A. , Crawford Scott E. , Marbella Lauren E. , Millstone Jill E.
Published: November 2016

This review highlights current analytical methods for quantifying nanoparticle surface ligands and fundamental barriers to the accuracy of these techniques.
On the efficacy of anthracene isomers for triplet transmission from CdSe nanocrystals
Authors: Xia Pan , Huang Zhiyuan , Li Xin , Romero Juan J. , Vullev Valentine I. , Pau George Shu Heng , Tang Ming Lee
Published: November 2016

Isomeric substitutions on anthracene greatly effects triplet transmission from CdSe nanocrystals.
An unusual photoconductive property of polyiodide and enhancement by catenating with 3-thiophenemethylamine salt
Authors: Yu Hongtao , Yan Lijia , He Yaowu , Meng Hong , Huang Wei
Published: November 2016

We serendipitously discovered an unusual photoconductive property of polyiodide, which can be further enhanced through interaction with 3-thiophenemethylamine iodine salt.
Ag+ coordination polymers of a chiral thiol ligand bearing an AIE fluorophore
Authors: Tao Dan-Dan , Wang Qian , Yan Xiao-Sheng , Chen Na , Li Zhao , Jiang Yun-Bao
Published: November 2016

The Ag+ coordination polymers of a chiral thiol ligand containing an AIE fluorophore differ very much in their supramolecular structures compared to the aggregates of the thiol ligand itself. The differences in the extent of fluorescence enhancement are detailed for the first time.
Pd-Catalyzed oxidative annulation of enamides with diazabicyclic olefins: rapid access to cyclopentene fused 2-pyrrolines
Authors: Santhini P. V. , Nimisha G. , John Jubi , Suresh E. , Varma R. Luxmi , Radhakrishnan K. V.
Published: November 2016

A catalytic tandem transformation via C–H activation of enamides for the stereoselective synthesis of cyclopentene fused 2-pyrrolines has been realized.
Accessing the inaccessible: discrete multinuclear coordination complexes and selective anion binding attainable only by tethering ligands together
Authors: Ahmed Basil M. , Mezei Gellert
Published: November 2016

The use of tethers between ligands allows for the preparation of novel multimetallic complexes, not obtainable without tethers, and leads to unexpected properties, such as selective binding of the carbonate vs. sulfate anion by nanojars.
Unravelling the early photochemical behavior of (8-substituted-7-hydroxyquinolinyl)methyl acetates through electronic structure theory and ultrafast transient absorption spectroscopy
Authors: Ma Jiani , Mewes Jan-Michael , Harris Kyle T. , Dore Timothy M. , Phillips David Lee , Dreuw Andreas
Published: November 2016

Role of solvent, prototropic states, excited state proton transfers, and excited states on biological effector release from quinoline-based phototriggers.
Towards improved halogenated BODIPY photosensitizers: clues on structural designs and heavy atom substitution patterns
Authors: Sánchez-Arroyo Antonio J. , Palao Eduardo , Agarrabeitia Antonia R. , Ortiz María J. , García-Fresnadillo David
Published: November 2016

Guidelines for the improved structural design of efficient and photostable singlet oxygen photosensitizers based on halogenated BODIPYs are proposed.
Thermodynamic origins of the solvent-dependent stability of lithium polysulfides from first principles
Authors: Pascal Tod A , Wujcik Kevin H. , Wang Dunyang Rita , Balsara Nitash P. , Prendergast David
Published: November 2016

An understanding of the complex solution phase chemistry of dissolved lithium polysulfides is critical to approaches aimed at improving the cyclability and commercial viability of lithium sulfur batteries.
Control and formation mechanism of extended nanochannel geometry in colloidal mesoporous silica particles
Authors: Sokolov I. , Kalaparthi V. , Volkov D. O. , Palantavida S. , Mordvinova N. E. , Lebedev O. I. , Owens J.
Published: November 2016

Investigation of the nanochannel geometry at the submicron and micron scale, and the mechanism of nanochannel formation at that scale are presented.
Dynamics of a bioinert polymer in hydrated states by dielectric relaxation spectroscopy
Authors: Hirata Toyoaki , Matsuno Hisao , Kawaguchi Daisuke , Inutsuka Manabu , Hirai Tomoyasu , Tanaka Masaru , Tanaka Keiji
Published: November 2016

The segmental dynamics of poly(2-methoxyethyl acrylate) at the water interface is extremely faster and comparable to the side chain motion.
Adsorption/desorption process of formaldehyde onto iron doped graphene: a theoretical exploration from density functional theory calculations
Authors: Cortés-Arriagada Diego , Villegas-Escobar Nery , Miranda-Rojas Sebastián , Toro-Labbé Alejandro
Published: November 2016

A quantum chemical study was developed to show the adsorption and sensing ability of iron embedded graphene towards formaldehyde.
Solution and solid state structures and magnetism of a series of linear trinuclear compounds with a hexacoordinate LnIII and two terminal NiII centers
Authors: Comba Peter , Enders Markus , Großhauser Michael , Hiller Markus , Müller Dennis , Wadepohl Hubert
Published: November 2016

Reported are the syntheses, structures and magnetic properties, also by NMR spectroscopy in solution, of a series of 13 linear trinuclear 3d–4f compounds with a lanthanide(iii) surrounded by two NiII ions, NiII2LnIII, where the central LnIII is hexacoordinate.
miR-155 regulates high glucose-induced cardiac fibrosis via the TGF-β signaling pathway
Authors: Zhang Dong , Cui Yongchun , Li Bin , Luo Xiaokang , Li Bo , Tang Yue
Published: November 2016

miR-155 regulates high glucose-induced cardiac fibrosis via the TGF-β/Smad 2 pathway.
1,4-Specific copolymerization of 1,3-cyclohexadiene with isoprene and their terpolymerization with styrene by cationic half-sandwich fluorenyl rare-earth metal alkyl catalysts
Authors: Du Gaixia , Yan Xinwen , Zhang Pengfei , Wang Hanghang , Dong Yuping , Li Xiaofang
Published: November 2016

1,4-Copolymerization of 1,3-cyclohexadiene with isoprene and terpolymerization with styrene have been achieved by cationic half-sandwich fluorenyl rare-earth metal species.
Characteristics and aerosol size distributions of metal-containing paint particles at a spray-painting workplace
Authors: Lai Chia-Hsiang , Yan Ting-Yu
Published: November 2016

The health effects of metal-containing paint-particles at various particle-size distributions on workers in a spray-painting workplace at an industrial ventilation equipment manufacturing plant.
Robust polyelectrolyte microcapsules reinforced with carbon nanotubes
Authors: Chojnacka-Górka Karolina , Rozpędzik Anna , Zapotoczny Szczepan
Published: November 2016

A facile method of incorporation of carbon nanotubes across the walls of polyelectrolyte microcapsules was developed for their reinforcement and sealing.
Single-stranded structure of alginate and its conformation evolvement after an interaction with calcium ions as revealed by electron microscopy
Authors: He Xiaoyan , Liu Yi , Li He , Li Hua
Published: November 2016

Calcium alginate shows a stable tangling conformation with an enlarged egg-box assembly.
Use of ordered mesoporous silica-loaded phyto-phospholipid complex for BCS IV class plant drug to enhance oral bioavailability: a case report of tanshinone IIA
Authors: Chen Ting , Yang Junhui , Chen Lihua , Qian Xiaocui , Zheng Qin , Fu Tingming , Qiao Hongzhi , Li Junsong , Di Liuqing
Published: November 2016

A CDDS was composed of PC and SD, using TS as a model drug. The marked improvements in oral bioavailability by TSPC-SD may result from comprehensive effects, including improved lg Po/wandPappviaPC, and increased dissolution rates from SD.
Ultra-sensitive diagnosis of orthotopic patient derived hepatocellular carcinoma by Fe@graphene nanoparticles in MRI
Authors: Zhang Chao , Ren Jing , Yang Yutong , Wang Dunhui , He Jian , Huo Da , Hu Yong
Published: November 2016

mPEG-DSPE modified Fe/graphene nanoparticles showed low cytotoxicity and high magnetic performance, providing super MRI diagnostic ability for cancer detection.
Room temperature synthesis of manganese oxide quantum dots and their application as a fluorescent probe for the detection of metal ions in aqueous media
Authors: Rong Shaopeng , Zhang Pengyi , Yang Yajie , Liu Fang
Published: November 2016

A rapid and facile route to access fluorescent manganese oxide quantum dots (MOQDs) has been developed at room temperature; the as-prepared MOQDs can serve as a fluorescent probe for the detection of metal ions in aqueous media.
CA4-loaded doxorubicin prodrug coating Fe3O4 nanoparticles for tumor combination therapy
Authors: Liu Hongmei , Xie Yandong , Zhang Yafei , Cai Yifan , Li Baiyang , Mao Honglin , Yu Rutong
Published: November 2016

Fe3O4 nanoparticles (NPs) have attracted a great deal of attention due to their magnetic properties, low toxicity, high surface area and their small sizes.
Structural and electrochemical studies of heterogeneous ion exchange membranes based on polyaniline-coated cation exchange resin particles
Authors: Malik Muhammad Salman , Qaiser Asif Ali , Arif Muhammad Ahmed
Published: November 2016

Polyaniline was deposited on polystyrene sulfonated divinyl benzene resin by varying polymerization time to fabricate heterogeneous PVC matrix membranes.
The case of middle and high school chemistry teachers implementing technology: using the concerns-based adoption model to assess change processes
Authors: Gabby Shwartz , Avargil Shirly , Herscovitz Orit , Dori Yehudit Judy
Published: November 2016

An ongoing process of reforming chemical education in middle and high schools in our country introduced the technology-enhanced learning environment (TELE) to chemistry classes. Teachers are encouraged to integrate technology into pedagogical practices in meaningful ways to promote 21st century skills; however, this effort is often hindered by teacher concerns and resistance to change. We applied the Concerns-Based Adoption Model (CBAM) to examine whether and how it could be used to identify chemistry teachers' concerns, and to characterize the process of change they experience when integrating TELE. An analysis of two kinds of participants, one of high school chemistry teachers and the other of middle school chemistry teachers, helped us to obtain an in-depth understanding of the way these teachers adopted the innovation. Results revealed that after ten years of implementation, the concerns of high school teachers remained multi-focal, and the impact and personal concerns increased and were predominant. Examining three case studies of middle school teachers showed that one teacher remained in the early stages of concerns during one year of implementation, while the other two exhibited a process of change, moving forward to advances stages of concerns. Our study can shed light on how CBAM might serve as a diagnostic tool for differentiating between teachers with different qualifications, experiences, and concerns in diverse teaching situations in middle school and high school. Such diagnosis can help stakeholders in the education system to develop specific interventions and activities for different groups of teachers based on specific concerns while implementing TELE.
Time evolution studies of dithieno[3,2-b:2′,3′-d]pyrrole-based A–D–A oligothiophene bulk heterojunctions during solvent vapor annealing towards optimization of photocurrent generation
Authors: Ben Dkhil Sadok , Pfannmöller Martin , Ata Ibrahim , Duché David , Gaceur Meriem , Koganezawa Tomoyuki , Yoshimoto Noriyuki , Simon Jean-Jacques , Escoubas Ludovic , Videlot-Ackermann Christine , Margeat Olivier , Bals Sara , Bäuerle Peter , Ackermann Jörg
Published: November 2016

Solvent vapor annealing transforms the morphology of blends by a three-stage mechanism.
CsPbBr3 perovskite nanocrystals as highly selective and sensitive spectrochemical probes for gaseous HCl detection
Authors: Chen Xiao , Hu Huawei , Xia Zhaoming , Gao Wei , Gou Wangyan , Qu Yongquan , Ma Yuanyuan
Published: November 2016

A rapid and facile gaseous anion-exchange reaction between CsPbBr3 perovskite nanocrystals and HCl vapor was carried out under the ambient conditions.
Multiband cylindrical dielectric resonator antenna for WLAN/WiMAX application
Authors: Sharma A. , Ranjan P. , Gangwar R.K.
Published: November 2016

A multiband cylindrical dielectric resonator antenna (CDRA) is reported in this Letter. Three unique features of proposed radiator are (i) modified feeding mechanism behaves both as magnetic and electric dipole (horizontal and vertical placed) and generates five different radiating modes (HEM11δ, TM01δ, HEM12δ‐like, HEM12δ and HEM11δ+1) in CDRA simultaneously, (ii) different radiating modes provide diversified radiation pattern at different frequency bands and (iii) multiband characteristics makes the proposed radiator appropriate for WLAN (5.2/5.8 GHz) and WiMAX (2.5/3.3/5.5 GHz) applications.
Improved direct radiation pattern estimation in FDTD
Authors: Nikolic B. , Dimitrijevic B. , Aleksic S. , Raicevic N.
Published: November 2016

Application of direct radiation pattern estimation in finite difference time domain (FDTD) simulation environment as an alternative to cumbersome near‐to‐far field transformation is considered. With the proposed improvement, direct estimation of the radiation pattern from the field strength samples in FDTD method becomes significantly less sensitive to the antenna geometry and thus more applicable to practically relevant cases. The main idea is to use field samples taken at two different radii to account for antenna geometry. The samples are taken at radii that are as close as possible to the antenna but still not too close to spoil the correctness of the results. The introduced improvement, combined with multigrid simulation domain and higher order accuracy FDTD formulations, reduces the necessary size of the computational domain, which directly leads to reduced memory consumption and a smaller error due to numerical dispersion.
Si waveguide polarisation rotation chirped Bragg grating
Authors: Okayama H. , Onawa Y. , Shimura D. , Yaegashi H. , Sasaki H.
Published: November 2016

Polarisation independent silicon waveguide wavelength filter using Bragg grating with chirped period is reported. The polarisation rotation and filter peak with wide flat top response is obtained. An antisymmetric grating structure and rib waveguide is used. We experimentally obtained polarisation independent flat‐top band‐pass filter consisting of polarisation beam splitter (PBS) and Bragg grating.
Transition Risk Assessment Score to Stratify Health Care Needs and Interventions in Adolescents with Anorectal Malformations: A Pilot Study
Authors: Connor Martin , Springford Laurie , Giuliani Stefano
Published: November 2016

Introduction Anorectal malformations (ARMs) are a complex collection of congenital disorders of the anus, rectum, and genitourinary system with possible active morbidities beyond adolescence.

Aims To create the first evidence-based inclusive transition risk assessment score (TRAS) to stratify health care needs and interventions in teenagers with ARM transitioning to adult health care.

Method MEDLINE, EMBASE, and the Cochrane Library were searched electronically for original articles containing published scoring systems evaluating children with ARM from January 1, 1990 to December 31, 2013. Current published scoring systems identified were weighted to create a novel score (TRAS) to objectively assess the most common active problems present in teenagers with ARM: fecal, urinary, and sexual functions; quality of life; and psychosocial well-being. The TRAS was applied to patients visiting our tertiary anorectal clinic in the period from January 2014 to March 2016. Patients were rescored on each visit to the clinic.

Results Total 21 separate scoring systems were identified in the literature, with 3 scoring systems incorporated into the TRAS. The score divided patients into “low” (0–4), “medium” (5–10), and “high” (11–35) risk categories. The TRAS was used to assess 14 adolescents with ARMs during the study period; 14 patients had a single TRAS, 7 had two TRAS, and 3 had three TRAS assessments. At first visit 14 patients with a median age of 13 were assessed with TRAS ranging from 2 to 13 (M = 5, SD 3.33, 95% CI 3.08–7.68). At second visit seven patients with a median age of 15 were assessed with TRAS ranging from 2 to 12 (M = 6.43, SD 3.51, 95% CI 3.19–9.67). At third visit three patients with a median age of 16 were assessed with TRAS ranging from 6 to 12 (M = 8.33, SD 3.21, 95% CI 0.35–16.32). There was no significant difference (p > 0.05) between a patient's TRAS at different visits.

Conclusion Preliminary data suggest that the TRAS is a holistic and effective clinical tool to help to objectively stratify ARM patients, identify active problems, and select those who may require intensive multidisciplinary input and interventions during the transition to adult health care services.
Introduction: Collective dynamics of mechanical oscillators and beyond
Authors: Belykh Igor V. , Porfiri Maurizio
Published: November 2016

This focus issue presents a collection of research papers from a broad spectrum of topics related to the modeling, analysis, and control of mechanical oscillators and beyond. Examples covered in this focus issue range from bridges and mechanical pendula to self-organizing networks of dynamic agents, with application to robotics and animal grouping. This focus issue brings together applied mathematicians, physicists, and engineers to address open questions on various theoretical and experimental aspects of collective dynamics phenomena and their control.
Numerical evaluation of external magnetic effect on electromagnetic wave transmission through reentry plasma layer
Authors: Zhao Qing , Bo Yong , Lei Mingda , Liu Shuzhang , Liu Ying , Liu Jianwei , Zhao Yizhe
Published: November 2016

Numerical study of electromagnetic (EM) wave transmission through the magnetized plasma layer is presented in this paper. The plasma parameters are derived from computational fluid dynamics simulation of the flow field around a blunt body flying at supersonic speed and serve as the background plasma condition in the numerical modeling for EM wave transmission. The EM wave is generated by our newly designed coaxial feed GPS patch antenna. The external magnetic field is applied and assumed to vary linearly as a function of wall distance. The effects of the external applied magnetic field and the plasma parameters on wave transmission are studied, and the results show that EM wave propagation in the non-uniformly magnetized plasma is a matter of impedance matching, and the EM wave transmission can be adjusted only when the proper strength of the magnetic field is applied.
Static polarizabilities for excited states within the spin-conserving and spin-flipping equation-of-motion coupled-cluster singles and doubles formalism: Theory, implementation, and benchmarks
Authors: Nanda Kaushik D. , Krylov Anna I.
Published: November 2016

We present the theory and implementation for calculating static polarizabilities within the equation-of-motion coupled-cluster singles and doubles (EOM-CCSD) framework for electronically excited states and its spin-flip variant. We evaluate the second derivatives of the EOM-CCSD Lagrangian with respect to electric-field perturbations. The relaxation of reference molecular orbitals is not included. In our approach, the wave function amplitudes satisfy the 2n + 1 rule and the amplitude-response Lagrange multipliers satisfy the 2n + 2 rule. The new implementation is validated against finite-field and CCSD response-theory calculations of the excited-state polarizabilities of pyrimidine and s-tetrazine. We use the new method to compute static polarizabilities of different types of electronic states (valence, charge-transfer, singlets, and triplets) in open- and closed-shell systems (uracil, p-nitroaniline, methylene, and p-benzyne). We also present an alternative approach for calculating excited-state static polarizabilities as expectation values by using the EOM-CCSD wave functions and energies in the polarizability expression for an exact state. We find that this computationally less demanding approach may show differences up to ∼30% relative to the excited-state polarizabilities computed using the analytic-derivative formalism.
Hard rectangles near curved hard walls: Tuning the sign of the Tolman length
Authors: Sitta Christoph E. , Smallenburg Frank , Wittkowski Raphael , Löwen Hartmut
Published: November 2016

Combining analytic calculations, computer simulations, and classical density functional theory we determine the interfacial tension of orientable two-dimensional hard rectangles near a curved hard wall. Both a circular cavity holding the particles and a hard circular obstacle surrounded by particles are considered. We focus on moderate bulk densities (corresponding to area fractions up to 50%) where the bulk phase is isotropic and vary the aspect ratio of the rectangles and the curvature of the wall. The Tolman length, which gives the leading curvature correction of the interfacial tension, is found to change sign at a finite density, which can be tuned via the aspect ratio of the rectangles.
AdS-Carroll branes
Authors: Clark T. E. , ter Veldhuis T.
Published: November 2016

Coset methods are used to determine the action of a co-dimension one brane (domain wall) embedded in (d + 1)-dimensional AdS space in the Carroll limit in which the speed of light goes to zero. The action is invariant under the non-linearly realized symmetries of the AdS-Carroll spacetime. The Nambu-Goldstone field exhibits a static spatial distribution for the brane with a time varying momentum density related to the brane’s spatial shape as well as the AdS-C geometry. The AdS-C vector field dual theory is obtained.
Ion acoustic wave instabilities and nonlinear structures associated with field-aligned flows in the F-region ionosphere
Authors: Saleem H. , Ali Shan S. , Haque Q.
Published: November 2016

It is shown that the inhomogeneous field-aligned flow of heavier ions into the stationary plasma of the upper ionosphere produces very low frequency (of the order of a few Hz) electrostatic unstable ion acoustic waves (IAWs). This instability is an oscillatory instability unlike D'Angelo's purely growing mode. The growth rate of the ion acoustic wave (IAW) corresponding to heavier ions is due to shear flow and is larger than the ion Landau damping. However, the ion acoustic waves corresponding to non-flowing lighter ions are Landau damped. It is found that even if D'Angelo's instability condition is satisfied, the unstable mode develops its real frequency in this coupled system. Hence, the shear flow of one type of ions in a bi-ion plasma system produces ion acoustic wave activity. If the density non-uniformity is taken into account, then the drift wave becomes unstable. The coupled nonlinear equations for stationary ions “a,” flowing ions “b,” and inertialess electrons are also solved using the small amplitude limit. The solutions predict the existence of the order of a few kilometers electric field structures in the form of solitons and vortices, which is in agreement with the satellite observations.
Electron cyclotron current drive simulations for finite collisionality plasmas in Wendelstein 7-X using the full linearized collision model
Authors: Kapper Gernot , Kasilov Sergei V. , Kernbichler Winfried , Martitsch Andreas F. , Heyn Martin F. , Marushchenko Nikolai B. , Turkin Yuriy
Published: November 2016

The Electron Cyclotron Current Drive (ECCD) efficiency is usually modeled in the collisionless limit. While such models are sufficient for plasmas with rather low collisionality, they might underestimate the current drive in plasmas at low temperatures likely to occur at the initial phase of high density device operation. In this paper, the impact of finite collisionality effects on the wave-induced current drive is studied for a high-mirror configuration of Wendelstein 7-X using a combination of the drift kinetic equation solver NEO-2 and the ray-tracing code TRAVIS for a realistic set of plasma parameter profiles. The generalized Spitzer function, which describes the ECCD efficiency in phase space, is modeled with help of NEO-2, which uses the full linearized Coulomb collision operator, including energy and momentum conservation. Within this approach, the linearized drift kinetic equation is solved by means of the field line integration technique without any simplifications on device geometry. The results of the ray-tracing code TRAVIS using the ECCD efficiency from NEO-2 within the adjoint approach show a significant difference for the driven current when compared to commonly used collisionless models for the ordinary as well as the extraordinary second harmonic mode.
Symmetry-broken canonizations of the semi-discrete integrable nonlinear Schrödinger system with background-controlled inter-site coupling
Authors: Vakhnenko Oleksiy O.
Published: November 2016

The integrable system of nonlinear Schrödinger type consisting of two mutually symmetric basic subsystems and one concomitant subsystem given on a ribbon of triangular lattice is characterized by the highly nonstandard form of Poisson structure. The fact of system criticality against the positive semi-definite background parameter provides us the clue how to organize the nonlinear point transformation ensuring the canonization of field variables. Precisely it allows to introduce two subsets of mutually symmetric intermediate (auxiliary) field variables and to involve one or another of them into a rational procedure of canonization realizable already in terms of two mutually asymmetric subsets of field amplitudes. There are two variants of system asymmetric standardization (namely, the minus-asymmetric and plus-asymmetric ones) emanated from the two-leg structure of underlying space lattice of the primary (noncanonical) nonlinear system. Either of the two asymmetrically standardized nonlinear systems consists of two canonical subsystems which can be referred to as the strong and the weak ones. The strong subsystem is the subsystem of bright nonlinear excitations on the whole admissible interval of the background parameter. In contrast the type of nonlinear excitations in the weak subsystem depends on the chosen domain of the background parameter. Thus in the under-critical region of the background parameter, the weak subsystem behaves as the subsystem of bright excitations while in the over-critical region it turns into the subsystem of dark excitations. Moreover in the very critical point, the field amplitudes of weak subsystem shrink to zero and the canonical system as the whole is reduced to the single strong subsystem. The general results concerning both minus-asymmetric and plus-asymmetric standardizations are confirmed analytically by means of the system multi-component one-soliton solution.
Molecular dynamics analysis of the effect of electronic polarization on the structure and single-particle dynamics of mixtures of ionic liquids and lithium salts
Authors: Lesch Volker , Montes-Campos Hadrián , Méndez-Morales Trinidad , Gallego Luis Javier , Heuer Andreas , Schröder Christian , Varela Luis M.
Published: November 2016

We report a molecular dynamics study on the effect of electronic polarization on the structure and single-particle dynamics of mixtures of the aprotic ionic liquid 1-ethyl-3-methylimidazolium bis-(trifluoromethylsulfonyl)-imide ([EMIM][TFSI]) doped with a lithium salt with the same anion at 298 K and 1 bar. In particular, we analyze the effect of electron density fluctuations on radial distribution functions, velocity autocorrelation functions, cage correlation functions, mean-squared displacements, and vibrational densities of states, comparing the predictions of the quantum-chemistry-based Atomistic Polarizable Potential for Liquids, Electrolytes, & Polymers (APPLE&P) with those of its nonpolarizable version and those of the standard non-polarizable Optimized Potentials for Liquid Simulations-All Atom (OPLS-AA). We found that the structure of the mixture is scarcely modified by the fluctuations in electron charge of their constituents, but their transport properties are indeed quite drastically changed, with larger mobilities being predicted for the different species in the bulk mixtures with the polarizable force field. Specifically, the mean-squared displacements are larger for the polarizable potentials at identical time intervals and the intermediate subdiffusive plateaus are greatly reduced, so the transition to the diffusive regime takes place much earlier than in the non-polarizable media. Moreover, the correlations of the added cations inside their cages are weakened out earlier and their vibrational densities of states are slightly red-shifted, reflecting the weakening effect of the electronic polarization on the Coulomb coupling in these dense ionic media. The comparison of OPLS-AA with non-polarizable APPLE&P indicates that adding polarization to OPLS-AA is not sufficient to achieve results close to experiments.