bluuebunny/crossref_metadata_2025_split huggingface dataset:
Creep deformation and its correspondence to the microstructure of different polyester industrial yarns at room temperature
Authors: Chen Kang , Yu Jinchao , Liu Yanping , Song Minggen , Jiang Quan , Ji Hong , Zou Jiaxiong , Zhang Yumei , Wang Huaping 
Published: November 2018

AbstractThe room temperature creep behaviors and related microstructural changes of a high‐tenacity (HT) poly(ethylene terephthalate) (PET) industrial yarn and a super‐low‐shrinkage (SLS) PET industrial yarn were investigated and compared by using wide‐angle X‐ray scattering (WAXS), small‐angle X‐ray scattering (SAXS), birefringence measurements and Fourier transform infrared spectroscopy (FTIR) in order to identify their respective underlying creep mechanisms. The crystal structure including crystalline orientation and crystallinity of fibers did not show obvious changes after the creep process, while the amorphous structures varied with creep stress. The HT yarn creep deformation was mainly elastic, and its creep recovery ratio was high. The amorphous orientation, amorphous layer thickness and degree of conformation change fromgauchetotransconformers showed a slight increase. The mechanism of this slight change is that the coiled molecular chains are oriented under tensile loading and most of the extended chains are disoriented under offloading in the small amorphous region. By contrast, the SLS yarn underwent plastic creep deformation with a low recovery ratio. After the creep test, the amorphous orientation and lamellar thickness both increased but the crystallinity remained unchanged. The creep mechanism for the SLS yarn is that the molecular chains in the large amorphous domain are easily extended and oriented subjected to tensile loading, while conformation transition fromgauchetotransconformers and the formation of irreversible mesophase take place. © 2018 Society of Chemical Industry
Insights into the excited state dynamical process for 3‐hydroxy‐2‐(5‐(5‐(5‐(3‐hydroxy‐4‐oxo‐4H‐chromen‐2‐yl)thiophen‐2‐yl)thiophen‐2‐yl)thiophen‐2‐yl)‐4H‐chromen‐4‐one
Authors: Wang Yusheng , Yang Guang , Jia Min , Song Xiaoyan , Zhang Qiaoli , Yang Dapeng 
Published: November 2018

AbstractIn this present work, we theoretically investigate a novel system 3‐hydroxy‐2‐(5‐(5‐(5‐(3‐hydroxy‐4‐oxo‐4H‐chromen‐2‐yl)thiophen‐2‐yl)thiophen‐2‐yl)thiophen‐2‐yl)‐4H‐chromen‐4‐one (FT) based on density functional theory (DFT) and time‐dependent DFT (TDDFT) methods. Via calculating the reduced density gradient (RDG) versus sign(λ2) ρ, we firstly verify the formation of the dual intramolecular hydrogen bonds (O1─H2···O3 and O4─H5···O6) for FT form in the S0 state. Then comparing the primary structural parameters and corresponding infrared (IR) vibrational spectra involved in hydrogen bonds between S0 and S1 state, we demonstrate that these two intramolecular hydrogen bonds should be strengthened in the S1 state. Insights into the vertical excitation process, our theoretical results reproduced experimental absorption nature, which confirms that the theoretical level (B3LYP/TZVP) is reasonable and effective in this work. And frontier molecular orbitals (MOs) depict the nature of electronically excited state and support the excited‐state intramolecular proton transfer (ESIPT) reaction. According to the calculated results of potential energy curves along stepwise and synergetic O1─H2 and O4─H5 coordinates, we verify that only the excited‐state single‐proton transfer could occur for FT molecule in the S1 state, although it possesses two intramolecular hydrogen bonds. We not only investigate the detail excited‐state behaviors for FT system and elaborate the ESIPT mechanism but also explain previous experimental results.
Crystal structure of human vaccinia‐related kinase 1 in complex with AMP‐PNP, a non‐hydrolyzable ATP analog
Authors: Ngow Yeen Shian , Rajan Sreekanth , Ye Hong , Yoon Ho Sup 
Published: November 2018

AbstractVaccinia‐related kinase 1 (VRK1), a serine/threonine mitotic kinase, is widely over‐expressed in dividing cells and regarded as a cancer drug target primarily due to its function as an early response gene in cell proliferation. However, the mechanism of VRK1 phosphorylation and substrate activation is not well understood. More importantly even the molecular basis of VRK1 interaction with its cofactor, adenosine triphosphate (ATP), is unavailable to‐date. As designing specific inhibitors remains to be the major challenge in kinase research, such a molecular understanding will enable us to design ATP‐competitive specific inhibitors of VRK1. Here we report the molecular characterization of VRK1 in complex with AMP‐PNP, a non‐hydrolyzable ATP‐analog, using NMR titration followed by the co‐crystal structure determined upto 2.07 Å resolution. We also carried out the structural comparison of the AMP‐PNP bound‐form with its apo and inhibitor‐bound counterparts, which has enabled us to present our rationale toward designing VRK1‐specific inhibitors.
The Tension between 10D Supergravity and dS Uplifts
Authors: Gautason F. F. , Van Hemelryck V. , Van Riet T. 
Published: November 2018

AbstractWe elaborate on the recent work of Moritz et al. where it is argued that anti‐brane uplifting in KKLT models never leads to dS vacua. This is due to flattening effects in the effective potential found when treating the gaugino condensate energy momentum in ten‐dimensional supergravity. We point out that the Silverstein‐Saltman uplift, which effectively dissolves the anti‐brane in 3‐form fluxes, is a conceptually simpler setting in which flattening effects can be present, without requiring assumptions about UV/IR mixings. Along the way we revise and improve on the arguments of Moritz et al. and discuss various subleties when studying gaugino condensates from a ten‐dimensional point‐of‐view. In particular, the “no dS” argument is slightly weaker and we emphasize a technical loophole that might allow dS vacua. Finally we suggest that AdS vacua which are parametrically controlled from these flattening effects belong to the Swampland. We comment on the relation with the recent refined dS Swampland inequalities.
Para‐Hermitian Geometry, Dualities and Generalized Flux Backgrounds
Authors: Marotta Vincenzo E. , Szabo Richard J. 
Published: November 2018

AbstractWe survey physical models which capture the main concepts of double field theory on para‐Hermitian manifolds. We show that the geometric theory of Lagrangian and Hamiltonian dynamical systems is an instance of para‐Kähler geometry which extends to a natural example of a Born geometry. The corresponding phase space geometry belongs to the family of natural almost para‐Kähler structures which we construct explicitly as deformations of the canonical para‐Kähler structure by non‐linear connections. We extend this framework to a class of non‐Lagrangian dynamical systems which naturally encodes the notion of fluxes in para‐Hermitian geometry. In this case we describe the emergence of fluxes in terms of weak integrability defined by the D‐bracket, and we extend the construction to arbitrary cotangent bundles where we reproduce the standard generalized fluxes of double field theory. We also describe the para‐Hermitian geometry of Drinfel'd doubles, which gives an explicit illustration of the interplay between fluxes, D‐brackets and different polarizations. The left‐invariant para‐Hermitian structure on a Drinfel'd double in a Manin triple polarization descends to a doubled twisted torus, which we use to illustrate how changes of polarizations give rise to different fluxes and string backgrounds in para‐Hermitian geometry.
Prelude to molecular dynamics: Topography‐driven gaussian charge models
Authors: Albuquerque Johnross Virgil , Shirsat Rajendra Nivrutti 
Published: November 2018

AbstractA new strategy to develop Gaussian charge models (GCMs) for molecules like ammonia, water, ethene, hydrogen sulfide, formaldehyde and benzene is presented. These molecular models comprising of positive point charges and negative Gaussian charge distributions (GCDs), which represent nuclei and continuous electron charge distribution, are found to correctly represent the ab initio Molecular Electrostatic Potential (MESP) and reproduce its essential topographical features of corresponding molecules. The models use optimized parameters: positive charges at nuclei, negative charges on GCDs, Gaussian exponent and centers. The Potential Energy Surface (PES) of water dimer has been explored using water GCMs. A good agreement has been found between PES obtained using GCMs and wave function. The Gaussian models correctly predict structure of benzene‐water complex. It is thus recommended to use GCMs for molecular dynamic simulations.
Channel forms and vegetation adjustment to damming in a Mediterranean gravel‐bed river (Serpis River, Spain)
Authors: Sanchis‐Ibor Carles , Segura‐Beltrán Francisca , Navarro‐Gómez Angel 
Published: November 2018

AbstractThis paper focuses on the analysis of changes observed in channel morphology in the Serpis River (Alicante, Spain), a gravel‐bed river dammed since 1958. The paper analyses flow series and several aerial images, prior and subsequent to dam construction, to analyse changes in channel morphology and vegetation colonisation using Geographical Information Systems (GIS) techniques. Results show a concatenation of morphological changes throughout an adjustment sequence (60 years), which started with the transformation from wandering to single thread channel pattern, was followed by a slow vegetation encroachment, and culminated with the stabilization of channel migration. The role of vegetation (particularly Salicaceae species) has been critical in controlling floods' effectiveness, reducing river mobility and shifting, and consolidating a channel planform model adapted to the post‐dam flow conditions.
Mapping with confidence; delineating seagrass habitats using Unoccupied Aerial Systems (UAS)
Authors: Nahirnick Natasha K. , Reshitnyk Luba , Campbell Marcus , Hessing‐Lewis Margot , Costa Maycira , Yakimishyn Jennifer , Lee Lynn 
Published: November 2018

AbstractThere is growing interest in the use of Unoccupied Aerial Systems (UAS) for mapping and monitoring of seagrass habitats. UAS provide flexibility with timing of imagery capture, are relatively inexpensive, and obtain very high spatial resolution imagery compared to imagery acquired from sensors mounted on satellite or piloted aircraft. However, research to date has focused on UAS applications for exposed intertidal areas or clear tropical waters. In contrast, submerged seagrass meadows in temperate regions are subject to high cloud cover and water column turbidity, which may limit the application of UAS imagery for coastal habitat mapping. To test the constraints on UAS seagrass mapping, we examined the effects of five environmental conditions at the time of UAS image acquisition (sun angle, tidal height, cloud cover, Secchi depth and wind speed) and five site characteristics (eelgrass patchiness and density, presence and density of non‐eelgrass submerged aquatic vegetation, sediment tone, eelgrass deep edge and site exposure) at 26 eelgrass (Zostera marina) monitoring sites in British Columbia, Canada. Eelgrass was delineated in UAS orthomosaics using object‐based image analysis, combining image segmentation with manual classification. Each site was ranked according to the analysts’ confidence in the delineated eelgrass. Robust Linear Regression revealed sun angle and ‘theoretical visibility’ (an aggregate of tidal height, Secchi depth, and eelgrass deep edge conditions) to be the most important variables affecting mapping confidence. In general, ideal environmental conditions to obtain high confidence eelgrass mapping included: (1) sun angles below 40°; (2) positive theoretical visibility with Secchi depths >5 m; (3) cloud cover conditions of <10% or >90%; and (4) wind speeds less than 5 km h−1. Additionally, high mapping confidence was achieved for sites with dense, continuous, and homogeneous eelgrass meadows. The results of this analysis will guide implementation of UAS mapping technologies in coastal temperate regions.
Bioinspired Photonic Barcodes with Graphene Oxide Encapsulation for Multiplexed MicroRNA Quantification
Authors: Bian Feika , Wu Jindao , Wang Huan , Sun Lingyu , Shao Changmin , Wang Yu , Li Zhiyang , Wang Xuehao , Zhao Yuanjin 
Published: November 2018

AbstractMultiplexed microRNA (miRNA) quantification has a demonstrated value in clinical diagnosis. In this paper, novel mussel‐inspired photonic crystal (PhC) barcodes with graphene oxide (GO) encapsulation for multiplexed miRNA detection are presented. Using the excellent adhesion capability of polydopamine, the dispersed GO particles can be immobilized on the surfaces of the PhC barcodes to form an additional functional layer. The GO‐decorated PhC barcodes have constant characteristic reflection peaks because the GO immobilization process not only maintains their periodic microstructure but also enhances their stability and anti‐incoherent light‐scattering capability. The immobilized GO particles are shown to enable high‐sensitivity miRNA screening on the surface of the PhC barcodes by integration with a hybridization chain reaction amplification strategy. Because the PhC barcodes have stable encoding reflection peaks, multiplexed low‐abundance miRNA quantification can also be achieved rapidly, accurately, and reproducibly by employing different GO‐decorated PhC barcodes. These features should make GO‐encapsulated PhC barcodes ideal for many practical applications.
Cytotoxic and morphological effects of microcystin‐LR, cylindrospermopsin, and their combinations on the human hepatic cell line HepG2
Authors: Gutiérrez‐Praena Daniel , Guzmán‐Guillén Remedios , Pichardo Silvia , Moreno Francisco Javier , Vasconcelos Vitor , Jos Ángeles , Cameán Ana María 
Published: November 2018

AbstractCylindrospermopsin (CYN) and Microcystin‐LR (MC‐LR) are toxins produced by different cyanobacterial species, which are found mainly in freshwater reservoirs. Both of them can induce, separately, toxic effects in humans and wildlife. However, little is known about the toxic effects of the combined exposure, which could likely happen, taking into account the concomitant occurrence of the producers. As both cyanotoxins are well known to induce hepatic damage, the human hepatocellular HepG2 cell line was selected for the present study. Thus, the cytotoxicity of both pure cyanotoxins alone (0–5 μg/mL CYN and 0–120 μg/mL MC‐LR) and in combination for 24 and 48 h was assayed, as long as the cytotoxicity of extracts from CYN‐producing and nonproducing cyanobacterial species. The potential interaction of the combination was evaluated by the isobologram or Chou–Talalay's method, which provides a combination index as a quantitative measure of the two cyanotoxins interaction's degree. Moreover, a morphological study of the individual pure toxins and their combinations was also performed. Results showed that CYN was the most toxic pure cyanotoxin, being the mean effective concentrations obtained ≈4 and 90 μg/mL for CYN and MC‐LR, respectively after 24 h. However, the simultaneous exposure showed an antagonistic effect. Morphologically, autophagy, at low concentrations, and apoptosis, at high concentrations were observed, with affectation of the rough endoplasmic reticulum and mitochondria. These effects were more pronounced with the combination. Therefore, it is important to assess the toxicological profile of cyanotoxins combinations in order to perform more realistic risk evaluations.
3‐Bromopyruvate as a potent anticancer therapy in honor and memory of the late Professor André Goffeau
Authors: Ko Young H. , Niedźwiecka Katarzyna , Casal Margarida , Pedersen Peter L. , Ułaszewski Stanisław 
Published: November 2018

Abstract3‐Bromopyruvate (3BP) is a small, highly reactive molecule formed by bromination of pyruvate. In the year 2000, the antitumor properties of 3BP were discovered. Studies using animal models proved its high efficacy for anticancer therapy with no apparent side effects. This was also found to be the case in a limited number of cancer patients treated with 3BP. Due to the “Warburg effect,” most tumor cells exhibit metabolic changes, for example, increased glucose consumption and lactic acid production resulting from mitochondrial‐bound overexpressed hexokinase 2. Such alterations promote cell migration, immortality via inhibition of apoptosis, and less dependence on the availability of oxygen. Significantly, these attributes also make cancer cells more sensitive to agents, such as 3BP that inhibits energy production pathways without harming normal cells. This selectivity of 3BP is mainly due to overexpressed monocarboxylate transporters in cancer cells. Furthermore, 3BP is not a substrate for any pumps belonging to the ATP‐binding cassette superfamily, which confers resistance to a variety of drugs. Also, 3BP has the capacity to induce multiple forms of cell death, by, for example, ATP depletion resulting from inactivation of both glycolytic and mitochondrial energy production pathways. In addition to its anticancer property, 3BP also exhibits antimicrobial activity. Various species of microorganisms are characterized by different susceptibility to 3BP inhibition. Among tested strains, the most sensitive was found to be the pathogenic yeast‐like fungus Cryptococcus neoformans. Significantly, studies carried out in our laboratories have shown that 3BP exhibits a remarkable capacity to eradicate cancer cells, fungi, and algae.
Sollten Pflegeroboter auch sexuelle Assistenzfunktionen bieten?
Authors: Döring Nicola 
Published: November 2018

ZusammenfassungPflege und Pflegeroboter zielen darauf ab, Menschen mit Pflegebedarf zu betreuen, Krankheiten zu verhüten und Gesundheit zu fördern. Das umfasst die ganzheitliche Sorge um das Wohlbefinden und schließt auch das sexuelle Wohlbefinden als wichtigen Gesundheitsfaktor und als Menschenrecht mit ein. Der Beitrag behandelt zunächst den Stellenwert des sexuellen Wohlbefindens und konkretisiert die sexuellen Anliegen von Menschen mit Pflegebedarf. Die bisherigen Angebote der Sexualassistenz für Menschen mit Pflegebedarf werden beschrieben. Auf dieser Grundlage plädiert der Beitrag dafür, im Sinne einer besseren Förderung sexuellen Wohlbefindens von Menschen mit Pflegebedarf in Zukunft auch Konzepte der robotischen Sexualassistenz zu entwickeln und zu evaluieren. Dabei werden drei Entwicklungspfade aufgezeigt, nämlich die Nutzung von Sexrobotern und Sexpuppen, die Ausstattung von multifunktionalen Pflegerobotern mit sexuellen Assistenzfunktionen sowie der Einsatz spezialisierter sexueller Assistenzgeräte. In allen drei Szenarien sollte robotische Sexualassistenz jeweils durch professionelle Sexualberatung begleitet werden. Angesichts der Tatsache, dass in der Allgemeinbevölkerung das Interesse an und die Nutzung von sexuellen Artefakten wie Sexspielzeugen und Sexmaschinen weit verbreitet und positiv mit sexueller Gesundheit verknüpft ist, sind Menschen mit Pflegebedarf von dieser Entwicklung nicht auszuschließen. Möglichen Gefahren robotischer Sexualassistenz gilt es im Zuge einer interdisziplinär informierten Entwicklung der Technik und ihrer Einsatzszenarien entgegenzuwirken.
Bewertung von AAL-Ambient-Assisted-Living-Systemen bei Personen mit kognitiver Schädigung: Match vs. Mismatch
Authors: Hauer Klaus 
Published: November 2018

ZusammenfassungDie Entwicklung von Robotern im Gesundheitsbereich oder AAL-System folgt ethischen wie auch technischen Grundsätzen. Ein Schwerpunkt in der ethischen Bewertung wie auch der zielführenden technischen Entwicklung von Unterstützungssystemen ist die Passung (Match) von technischen Funktionen mit den Ressourcen, Wünschen und Bedürfnissen der Zielgruppe (Nutzerperspektive), für die das System entwickelt wird. Eine Nichtbeachtung einer solchen Passung (Mismatch) hat vielerlei negative Konsequenzen von der Nichtbenutzung solcher Systeme bis hin zu Überforderung, Gefährdung oder negativen psychosozialen Konsequenzen. Besonders vulnerable Gruppen wie Menschen mit kognitiver Schädigung (MKS) sind betroffen und erfordern besondere Strategien und Bewertungs-/Entwicklungskriterien, um den limitierten, aber auch verbliebenen Ressourcen dieser speziellen Zielgruppe gerecht zu werden. Am Beispiel des Vergleiches zweier Teilfunktionen eines intelligenten Mobilitätsunterstützungssystems (MOBOT) soll im Beitrag untersucht werden, wie eine passende mit einer eher unpassenden Entwicklung gestaltbar und klassifizierbar ist.
Wege zu verantwortungsvoller Forschung und Entwicklung im Bereich der Pflegerobotik: Die ambivalente Rolle der Ethik
Authors: Kehl Christoph 
Published: November 2018

ZusammenfassungObwohl die Entwicklungsarbeiten an Pflegerobotern bis in die 1980er Jahre zurückreichen, waren die bisherigen Bemühungen nicht von größeren Erfolgen gekrönt. Zwar wurde eine Vielzahl an Produktvisionen und Prototypen hervorgebracht, diese haben jedoch in aller Regel noch nicht den Weg in den Pflegemarkt gefunden. Dies hängt nicht nur mit technischen Schwierigkeiten zusammen, sondern lässt sich auch auf die bislang stark technikfokussierte Ausrichtung der Forschungs- und Entwicklungspraxis zurückführen: Offenbar ist es noch nicht gelungen, Angebote zu entwickeln, die von Kostenträgern und Endkunden ausreichend akzeptiert werden. Vor diesem Hintergrund geht der Beitrag der Frage nach, wie sich eine verantwortungsvolle Forschungs- und Entwicklungspraxis gestalten lässt, die den hohen Anforderungen an Serviceroboter-Anwendungen im Pflegebereich gerecht wird. Mit Blick auf neuere politische Konzepte zur Technology Governance wird dargelegt, dass neben einer bedarfsorientierten Vorgehensweise vor allem der angemessene Umgang mit normativen Fragen und Unsicherheiten heraussticht, was auf die zentrale Bedeutung ethischer Reflexion verweist. Die Schwierigkeiten, die sich bei der ethischen Bewertung der robotischen Pflegeanwendungen ergeben, werden beleuchtet, und es wird schließlich die ambivalente Rolle der Ethik bei der Governance der Pflegerobotik herausgearbeitet.
Bone Mineral Density as a Risk Factor for Patients Undergoing Surgery for Hepatocellular Carcinoma
Authors: Miyachi Yosuke , Kaido Toshimi , Yao Siuan , Shirai Hisaya , Kobayashi Atsushi , Hamaguchi Yuhei , Kamo Naoko , Yagi Shintaro , Uemoto Shinji 
Published: November 2018

AbstractBackgroundWe have reported the impact of sarcopenia and body composition on patients undergoing hepatectomy for hepatocellular carcinoma (HCC). However, the impact of bone mineral density (BMD) on outcomes after hepatectomy for HCC and correlation with other parameters including sarcopenia are unclear.MethodsWe retrospectively analyzed 465 patients who underwent primary hepatectomy for HCC between April 2005 and March 2015. We analyzed the plain CT images at the level of the eleventh thoracic vertebra with the region of interest and defined as preoperative BMD.ResultsIn this cohort, male (n = 367) and female (n = 98) patients showed significant heterogeneity in age, body composition markers, tumor factors, peri‐operative parameters and so on. The median preoperative BMD in male and female patients was 155 and 139 HU, respectively (P = 0.005). BMD was negatively correlated with age in female (r = −0.590, P < 0.001) and intramuscular adipose tissue content in both male and female (r = −0.332 and −0.359, respectively, P < 0.001). For males, BMD < 160 HU was associated with worse cancer‐specific survival post‐hepatectomy (P = 0.015). In contrast, females were not (P = 0.135). For male patients, multivariate analysis identified low BMD as an independent risk factor for death (hazard ratio 1.720, 95% confidence interval 1.038–2.922, P = 0.035) after hepatectomy for HCC.ConclusionPreoperative low BMD was an independent risk factor for cancer‐specific mortality after hepatectomy for HCC.