bluuebunny/crossref_metadata_2025 huggingface dataset:
Towards affordable biomarkers of frontotemporal dementia: A classification study via network’s information sharing
Authors: Dottori Martin , Sedeño Lucas , Martorell Caro Miguel , Alifano Florencia , Hesse Eugenia , Mikulan Ezequiel , García Adolfo M. , Ruiz-Tagle Amparo , Lillo Patricia , Slachevsky Andrea , Serrano Cecilia , Fraiman Daniel , Ibanez Agustin
Published: June 2017

Developing effective and affordable biomarkers for dementias is critical given the difficulty to achieve early diagnosis. In this sense, electroencephalographic (EEG) methods offer promising alternatives due to their low cost, portability, and growing robustness. Here, we relied on EEG signals and a novel information-sharing method to study resting-state connectivity in patients with behavioral variant frontotemporal dementia (bvFTD) and controls. To evaluate the specificity of our results, we also tested Alzheimer’s disease (AD) patients. The classification power of the ensuing connectivity patterns was evaluated through a supervised classification algorithm (support vector machine). In addition, we compared the classification power yielded by (i) functional connectivity, (ii) relevant neuropsychological tests, and (iii) a combination of both. BvFTD patients exhibited a specific pattern of hypoconnectivity in mid-range frontotemporal links, which showed no alterations in AD patients. These functional connectivity alterations in bvFTD were replicated with a low-density EEG setting (20 electrodes). Moreover, while neuropsychological tests yielded acceptable discrimination between bvFTD and controls, the addition of connectivity results improved classification power. Finally, classification between bvFTD and AD patients was better when based on connectivity than on neuropsychological measures. Taken together, such findings underscore the relevance of EEG measures as potential biomarker signatures for clinical settings.
Single phase 3D phononic band gap material
Authors: Warmuth Franziska , Wormser Maximilian , Körner Carolin
Published: June 2017

Phononic band gap materials are capable of prohibiting the propagation of mechanical waves in certain frequency ranges. Band gaps are produced by combining different phases with different properties within one material. In this paper, we present a novel cellular material consisting of only one phase with a phononic band gap. Different phases are modelled by lattice structure design based on eigenmode analysis. Test samples are built from a titanium alloy using selective electron beam melting. For the first time, the predicted phononic band gaps via FEM simulation are experimentally verified. In addition, it is shown how the position and extension of the band gaps can be tuned by utilizing knowledge-based design.
Predicting the Reliability of Drug-target Interaction Predictions with Maximum Coverage of Target Space
Authors: Peón Antonio , Naulaerts Stefan , Ballester Pedro J.
Published: June 2017

Many computational methods to predict the macromolecular targets of small organic molecules have been presented to date. Despite progress, target prediction methods still have important limitations. For example, the most accurate methods implicitly restrict their predictions to a relatively small number of targets, are not systematically validated on drugs (whose targets are harder to predict than those of non-drug molecules) and often lack a reliability score associated with each predicted target. Here we present a systematic validation of ligand-centric target prediction methods on a set of clinical drugs. These methods exploit a knowledge-base covering 887,435 known ligand-target associations between 504,755 molecules and 4,167 targets. Based on this dataset, we provide a new estimate of the polypharmacology of drugs, which on average have 11.5 targets below IC50 10 µM. The average performance achieved across clinical drugs is remarkable (0.348 precision and 0.423 recall, with large drug-dependent variability), especially given the unusually large coverage of the target space. Furthermore, we show how a sparse ligand-target bioactivity matrix to retrospectively validate target prediction methods could underestimate prospective performance. Lastly, we present and validate a first-in-kind score capable of accurately predicting the reliability of target predictions.
Risk of psychosis in refugees: a literature review
Authors: Dapunt J , Kluge U , Heinz A
Published: June 2017

Conflicts and precarious living conditions resulted in the arrival of large numbers of refugees in Europe and especially in Germany. Evidence suggests that immigrant populations are at elevated risk of psychotic disorders. Considering the traumatic pre- and post-migratory adversities refugees may have encountered, people granted refugee status may even be more susceptible to psychosis than non-refugee migrants. The aim of this literature review is to summarise and interpret recent research on the incidence or prevalence of psychotic disorders in refugees, additionally focusing on the aspects of gender and Middle Eastern provenance. A systematic search in PubMed was performed in the time from 20 to 28 May 2016. Relevant literature was limited to articles describing cohort studies conducted in Western industrialised countries. Articles published between 1 June 2006 and 28 May 2016 were analysed. Content relating to psychotic disorders in refugees was reviewed and summarised. The selected studies showed an increased risk of psychotic disorders in refugees compared with both the indigenous population and non-refugee. migrants. The elevated risk was more pronounced in refugee men. A particularly high risk in refugees of Middle Eastern origin could not be inferred. The higher susceptibility to psychotic disorders in refugees emphasises the need for the development and implementation of adequate prevention strategies. Clinicians and people working in a refugee setting should be aware of early signs and symptoms of psychosis. Further research is required to evaluate post-migratory experiences and investigate the population of refugees affected by the current humanitarian crisis.
Supramolecular surface functionalization via catechols for the improvement of cell–material interactions
Authors: Spaans S. , Fransen P. P. K. H. , Ippel B. D. , de Bont D. F. A. , Keizer H. M. , Bax N. A. M. , Bouten C. V. C. , Dankers P. Y. W.
Published: June 2017

Bioactivation of non-cell adhesive hydrophobic polymers was achieved by employing mussel-inspired chemistry in combination with a supramolecular and modular approach.
Asymmetric tandem conjugate addition–protonation to forge chiral secondary C–O bonds for quaternary carbon stereocenters at the nonadjacent β-position
Authors: Hong San-Ni , Liu Yang , Lee Richmond , Jiang Zhiyong
Published: June 2017

The first asymmetric tandem conjugate addition–protonation to methylene 1,3-oxazolidine-2,4-diones has been developed, thus providing a direct and efficient approach to assemble chiral secondary C–O bonds for quaternary carbon stereocenters and thiols at the nonadjacent β-position.
UiO-66-(SH)2as stable, selective and regenerable adsorbent for the removal of mercury from water under environmentally-relevant conditions
Authors: Leus Karen , Perez Jeffrey Paulo H. , Folens Karel , Meledina Maria , Van Tendeloo Gustaaf , Du Laing Gijs , Van Der Voort Pascal
Published: June 2017

The dithiol functionalized UiO-66-(SH)2is developed as an efficient adsorbent for the removal of mercury in aqueous media. Important parameters for the application of MOFs in real-life circumstances include: stability and recyclability of the adsorbents, selectivity for the targeted Hg species in the presence of much higher concentrations of interfering species, and ability to purify wastewater below international environmental limits within a short time. We show that UiO-66-(SH)2meets all these criteria.
Exfoliation of graphene and fluorographene in molecular and ionic liquids
Authors: Bordes Émilie , Szala-Bilnik Joanna , Pádua Agílio A. H.
Published: June 2017

We use molecular dynamics simulations to study the exfoliation of graphene and fluorographene in molecular and ionic liquids using computer experiments in which one layer of the 2D nanomaterial is peeled, in vacuum or with solvent present.
Efficient synthesis of acetic acid via Rh catalyzed methanol hydrocarboxylation with CO2and H2under milder conditions
Authors: Cui Meng , Qian Qingli , Zhang Jingjing , Chen Chunjun , Han Buxing
Published: June 2017

Acetic acid can be efficiently synthesizedviamethanol hydrocarboxylation with CO2and H2using a Rh monometallic catalyst under milder conditions.
The transferrin receptor: the cellular iron gate
Authors: Gammella Elena , Buratti Paolo , Cairo Gaetano , Recalcati Stefania
Published: June 2017

The transferrin receptor (TfR1), which mediates cellular iron uptake through clathrin-dependent endocytosis of iron-loaded transferrin, plays a key role in iron homeostasis.
Interaction of the Zn(ii)–cyclen complex with aminomethylphosphonic acid: original simultaneous potentiometric and 31P NMR data treatment
Authors: Rostášová Ingrida , Vilková Mária , Vargová Zuzana , Gyepes Róbert , Litecká Miroslava , Kubíček Vojtěch , Imrich Ján , Lukeš Ivan
Published: June 2017

The interaction of aminomethylphosphonic acid with the Zn(ii)–cyclen complex was evaluated by an original combination of potentiometry and multinuclear NMR.
Dimeric molecular clips based on glycoluril
Authors: Sokolov Jan , Lizal Tomas , Sindelar Vladimir
Published: June 2017

Phenylene-bridged glycoluril dimers are used for the construction of supramolecular host molecules with high affinity towards methylviologen in water.
Catalytic hydrogenation performance of an in situ assembled Au@g-C3N4–PANI nanoblend: synergistic inter-constituent interactions boost the catalysis
Authors: Vellaichamy Balakumar , Periakaruppan Prakash
Published: June 2017

A novel gold–graphitic carbon nitride–polyaniline (Au@g-C3N4–PANI) nanoblend was synthesized via in situ oxidative polymerization of aniline using auric acid as an oxidant in the presence of g-C3N4.
Nitrogen doped carbon materials derived from Gentiana scabra Bunge as high-performance catalysts for the oxygen reduction reaction
Authors: Wang Cancan , Wu Winston Duo , Wang Ying , Xu Dan , Yan Feng
Published: June 2017

Gentiana scabraBunge-derived porous carbon materials as high-performance catalysts for the oxygen reduction reaction in both acidic and alkaline solutions were introduced.
Visualization of the protein corona: towards a biomolecular understanding of nanoparticle-cell-interactions
Authors: Kokkinopoulou Maria , Simon Johanna , Landfester Katharina , Mailänder Volker , Lieberwirth Ingo
Published: June 2017

We report on the visualization of the protein-corona and -composition, formed around nanoparticle systems in contact with biological environments.
Optically transparent fluorine-containing polycarbonates with high refractive indices for thermo-optic switches
Authors: Cai Zhenzhen , Zhang Yuping , Song Yilong , Cheng Qiuli , Zheng Yang , Cui Zhanchen , Shi Zuosen , Chen Changming , Zhang Daming
Published: June 2017

Optically transparent fluorine-containing polycarbonates with high refractive indices were prepared and used for thermo-optic switches.
A facile method to construct a 2,4,9-triazaadamantane skeleton and synthesize nitramine derivatives
Authors: Hou Tianjiao , Zhang Jian , Wang Chenjiao , Luo Jun
Published: June 2017

An unusual protocol for a “one-pot” three-step reaction to build a 2,4,9-triazaadamantane skeleton from triallylcarbinol was developed.
Synthesis and characteristics of tung oil-based acrylated-alkyd resin modified by isobornyl acrylate
Authors: Xu Xu , Chen Lijing , Guo Jiawen , Cao Xiaoqin , Wang Shifa
Published: June 2017

A tung oil-based acrylated-alkyd resin was modified by IBOA, exhibiting improved performance including mechanical strength, hardness, heat resistance,etc.
The synthesis and magnetic properties of BaFe2Se3 single crystals
Authors: Gao Juanjuan , Teng Yifei , Liu Wei , Chen Shufan , Tong Wenming , Li Min , Zhao Xudong , Liu Xiaoyang
Published: June 2017

BaFe2Se3 synthesised is antiferromagnetic with a lower Neel temperature than before, mainly because the average spin of iron sites has fluctuated.
Non-stoichiometric SnS microspheres with highly enhanced photoreduction efficiency for Cr(vi) ions
Authors: Rauf Ali , Arif Sher Shah Md. Selim , Lee Jun Young , Chung Chan-Hwa , Bae Jong Wook , Yoo Pil J.
Published: June 2017

Sn2+ self-doped SnS microparticles were synthesized via a simple template-free hydrothermal route. The ability to tune the band structure while minimizing defect generation makes self-doped SnS an efficient photocatalyst for treating waste water.
Interface modification with PCBM intermediate layers for planar formamidinium perovskite solar cells
Authors: Li Hongcui , Xue Yebin , Zheng Bo , Tian Jiaqi , Wang Haiyue , Gao Chunxiao , Liu Xizhe
Published: June 2017

Efficient planar formamidinium perovskite solar cells without the hysteresis effect were fabricated by a two-step method with PCBM as the intermediate layers.
Phenothiazin-N-yl-capped 1,4-diketo-3,6-diphenylpyrrolo[3,4-c]pyrrole exhibiting strong two-photon absorption and aggregation-enhanced one- and two-photon excitation red fluorescence
Authors: Zhang Kai , Liu Zhongwei , Ying Shian , Chen Mingshuai , Xue Shanfeng , Zhang Haichang , Yang Wenjun
Published: June 2017

A phenothiazin-capped simple DPP dye exhibits a large two-photon absorption cross section and aggregation-enhanced one- and two-photon excitation red fluorescence.
An antimalarial drug, tafenoquine, as a fluorescent receptor for ratiometric detection of hypochlorite
Authors: Das Avijit Kumar , Hayashi Naoto , Shiraishi Yasuhiro , Hirai Takayuki
Published: June 2017

An antimalarial drug, tafenoquine (TQ), behaves as a fluorescent receptor for ratiometric detection of hypochlorite (OCl−), facilitating rapid, selective, and sensitive detection or imaging of OCl−in solution and living cells.
A facile Pechini sol–gel synthesis of TiO2/Zn2TiO2/ZnO/C nanocomposite: an efficient catalyst for the photocatalytic degradation of Orange G textile dye
Authors: Nassar Mostafa Y. , Ali Ayman A. , Amin Alaa S.
Published: June 2017

We have developed an efficient route for the synthesis of TiO2/Zn2TiO2/ZnO/C nanocomposites through a Pechini sol–gel method followed by heat treatment at 550 °C for 30 min.
Force-induced retro-click reaction of triazoles competes with adjacent single-bond rupture
Authors: Stauch Tim , Dreuw Andreas
Published: June 2017

Quantum chemical calculations reveal that mechanochemical cycloreversion of 1,5-substituted triazoles competes with rupture of an adjacent single-bond.
Electronic delocalization, charge transfer and hypochromism in the UV absorption spectrum of polyadenine unravelled by multiscale computations and quantitative wavefunction analysis
Authors: Nogueira Juan J. , Plasser Felix , González Leticia
Published: June 2017

We show that in polyadenine UV photons are absorbed by excitons localized on up to three adjacent nucleobases.
Dual carbon layer hybridized mesoporous tin hollow spheres for fast-rechargeable and highly-stable lithium-ion battery anodes
Authors: An Weili , Fu Jijiang , Mei Shixiong , Xia Lu , Li Xingxing , Gu Huazhi , Zhang Xuming , Gao Biao , Chu Paul K. , Huo Kaifu
Published: June 2017

Dual carbon layers effectively enhance the electrochemical performance of ultrasmall Sn nanoparticle assembled hollow spheres.
Spatial separation of photogenerated electron–hole pairs in solution-grown ZnO tandem n–p core–shell nanowire arrays toward highly sensitive photoelectrochemical detection of hydrogen peroxide
Authors: Cai Yun , Kozhummal Rajeevan , Kübel Christian , Trouillet Vanessa , Bruns Michael , Gutsch Sebastian , Zacharias Margit , Yang Yang
Published: June 2017

Solution-grown ZnO tandem n–p core–shell nanowire arrays for highly sensitive PEC detection of H2O2.
Novel Au/Cu2O multi-shelled porous heterostructures for enhanced efficiency of photoelectrochemical water splitting
Authors: Wang Baoshun , Li Renying , Zhang Zhiyun , Zhang Weiwei , Yan Xiaolu , Wu Xiaoling , Cheng Guoan , Zheng Ruiting
Published: June 2017

In this study, we report novel Au/Cu2O multi-shelled porous heterostructures (MSPHs).
A versatile graphene foil
Authors: Cui L. F. , Wang X. P. , Chen N. , Zhang G. F. , Qu L. T.
Published: June 2017

Graphene foil with high electrical conductivity exhibits versatile features, as a flame-retardant material and a substitute for metal current collectors.
A cost-effective approach for practically viable Li-ion capacitors by using Li2S as an in situ Li-ion source material
Authors: Zhang Sheng S.
Published: June 2017

With the aid of surface oxygen functionalities, Li2S enables in situ lithiation of negative electrode for simplified preparation of Li-ion capacitors.
Persistent luminescent nanoparticles as energy mediators for enhanced photodynamic therapy with fractionated irradiation
Authors: Wang Jing , Li Yujie , Mao Rihua , Wang Yong , Yan Xiuping , Liu Jun
Published: June 2017

The excitation wavelengths of most porphyrin-based photosensitizers are in the ultraviolet (UV) spectrum.
Effect of secondary relaxation transitions on photo-induced anisotropy in glassy azobenzene-functionalized polymers
Authors: Kharintsev Sergey S. , Shukhina Ksenia L. , Fishman Alexandr I. , Saikin Semion K.
Published: June 2017

The β-relaxation transition in side-chain azobenzene-functionalized amorphous polymers can be directly found from the temperature behavior of infrared dichroism.
In situ self-assembly and photopolymerization for hetero-phase synthesis and patterning of conducting materials using soft oxometalates in thermo-optical tweezers
Authors: Ghosh Subhrokoli , Das Santu , Paul Shuvojit , Thomas Preethi , Roy Basudev , Mitra Partha , Roy Soumyajit , Banerjee Ayan
Published: June 2017

We use micro-bubble based thermo-optical tweezers to simultaneously synthesize, dope, and pattern conducting polymers to obtain unprecedented conductivity values.
Facile and fast photosensing of polarity by stimuli-responsive materials based on spiropyran for reusable sensors: a physico-chemical study on the interactions
Authors: Abdollahi Amin , Alinejad Zeinab , Mahdavian Ali Reza
Published: June 2017

Stimuli-responsive materials based on spiropyran, which show reversible solvatochromism and photochromism under UV irradiation, could be used for advanced devices such as chemical sensors, optical data storage devices, and optical switching displays.
Application of proteomics in the elucidation of chemical-mediated allergic contact dermatitis
Authors: Höper Tessa , Mussotter Franz , Haase Andrea , Luch Andreas , Tralau Tewes
Published: June 2017

Allergic contact dermatitis (ACD) is a widespread hypersensitivity reaction of the skin. While technically still challenging in the context of ACD, proteomics provide a powerful and useful tool to study the underlying molecular mechanisms as well as for the identification of biomarkers.
A Comparison of Coverbal Gesture Use in Oral Discourse Among Speakers With Fluent and Nonfluent Aphasia
Authors: Kong Anthony Pak-Hin , Law Sam-Po , Chak Gigi Wan-Chi
Published: June 2017

Purpose

Coverbal gesture use, which is affected by the presence and degree of aphasia, can be culturally specific. The purpose of this study was to compare gesture use among Cantonese-speaking individuals: 23 neurologically healthy speakers, 23 speakers with fluent aphasia, and 21 speakers with nonfluent aphasia.

Method

Multimedia data of discourse samples from these speakers were extracted from the Cantonese AphasiaBank. Gestures were independently annotated on their forms and functions to determine how gesturing rate and distribution of gestures differed across speaker groups. A multiple regression was conducted to determine the most predictive variable(s) for gesture-to-word ratio.

Results

Although speakers with nonfluent aphasia gestured most frequently, the rate of gesture use in counterparts with fluent aphasia did not differ significantly from controls. Different patterns of gesture functions in the 3 speaker groups revealed that gesture plays a minor role in lexical retrieval whereas its role in enhancing communication dominates among the speakers with aphasia. The percentages of complete sentences and dysfluency strongly predicted the gesturing rate in aphasia.

Conclusions

The current results supported the sketch model of language–gesture association. The relationship between gesture production and linguistic abilities and clinical implications for gesture-based language intervention for speakers with aphasia are also discussed.
Low‐frequency 3D synthetic aperture radar for the remote intelligence of building interiors
Authors: Andre D. , Faulkner B. , Finnis M.
Published: June 2017

Low‐frequency (LF) synthetic aperture radar (SAR) images offer a viable approach to determining the architecture and contents of buildings and underground bunkers via remote sensing. Often however, standard 2D SAR images can be difficult to interpret due to component signatures from different heights being projected into the scene leading to confused results. In this research, measurement results have shown that the full Nyquist 2D aperture scan approach to 3D through‐wall LF SAR provides focussed 3D resolution of a wall and contents behind it in a number of frequency bands. Full‐scale radar system upgrades are ongoing in order to investigate numerous other scenarios, however in the meantime, sparse 2D aperture scanning investigations have been undertaken with a prototype radar scanner. Whilst this kind of collection cannot achieve the low sidelobe levels of full Nyquist 2D aperture collections, these prototype scanner measurements are much faster to collect, and have shown encouraging results of sufficient image quality to determine the 3D configuration of prominent features in the target scene, albeit with higher sidelobe or image artefact levels.
Matrix phase detector for high bandwidth and low jitter frequency synthesis
Authors: Tajalli A.
Published: June 2017

A phase‐locked loop (PLL) architecture based on a 2D phase comparator matrix is introduced. In its general form, multiple phases of the input reference clock are compared with multiple phases of the feedback clock, allowing for wider bandwidth (BW) and lower phase noise generation of the PLL. Based on matrix phase detector architecture, a 6.25 GHz PLL achieving 5 GHz BW and exhibiting 55 fs‐rms jitter is designed in 28 nm CMOS bulk technology.
Impact of pilot sequence contamination in massive MIMO systems
Authors: AlKhaled Makram , Alsusa Emad
Published: June 2017

Time‐division duplex (TDD) is the most efficient technique for acquiring channel state information in massive multiple‐input multiple‐output (MIMO) systems where the reciprocity between the uplink and downlink channels is utilised by the pilot signals to extract the channel parameters. In this study, the authors consider the pilot contamination problem in TDD multicell multiuser massive MIMO systems and examine two different pilot signal allocation schemes for which they derive the lower bounds on the achievable rate on the uplink for the cases of maximum‐ratio combining (MRC) and zero‐forcing (ZF) detectors. To achieve further performance enhancements, they propose a new algorithm for pilot sequences allocation in which the multiplicity of the pilot sequences over the number of users in each cell is exploited. The authors' results show that when pilot contamination is severe, allocating more system resources for channel estimation results in a better system performance especially in limited mobility environments. Moreover, they show that when the signal‐to‐interference plus noise ratio is low, MRC is superior to ZF, and vice versa. Finally, they demonstrate that their proposed allocation algorithm can significantly improve the spectral efficiency of the network compared to the conventional pilot allocation method.
Bi‐level modelling of false data injection attacks on security constrained optimal power flow
Authors: Khanna Kush , Panigrahi Bijaya Ketan , Joshi Anupam
Published: June 2017

Conventional power system was originally designed to provide efficient and reliable power. With the integration of information technology and advanced metering infrastructure, the power grid has become smart. The smart meters have allowed the system operators to continuously monitor the power system in real time and take necessary action to avoid system failures. Malicious actor, with access to the smart meters can modify sensor measurements to disrupt the operation of power system. To make the power system resilient to such cyber‐attacks, it is important to study all possible outcomes of cyber‐intrusions. In this paper, we present an attack on security constrained optimum power flow. We show with the help of case studies how an attacker, by injecting false data in load measurement sensors, can force system operator to change the dispatch and hence make the power system N –1 in‐compliant. The attack is modeled as a bi‐level optimization problem, aiming to find the minimum set of sensors required to launch the attack. From the system operator's perspective, critical lines and critical generators vulnerable to false data injection (FDI) attack are identified. IEEE 14 bus and 30 bus test systems are used to test the vulnerability of the power system against FDI attacks.
Evaluation of the effect of flexible demand and wave energy converters on the design of hybrid energy systems
Authors: Friedrich Daniel , Lavidas George
Published: June 2017

Many islands have high electricity prices due to the reliance on imported diesel. However, hybrid energy systems (HES) which combine renewable generation with backup generators and energy storage are becoming cost competitive. Diesel usually provides about 10% of the demand because most renewables are non‐dispatchable and thus the complete decarbonisation requires massively oversized renewable generation and storage. By including renewables with different resource profiles and demand side management (DSM), the diesel consumption could be decreased without increasing storage and renewable generation capacities. Here a framework for the design and optimisation of HES using wind, wave and solar generation and DSM is introduced. For the Mediterranean it is shown that wave energy is not competitive but that DSM reduces the emissions and costs by 21 and 8%. In the North Sea, DSM has lower benefits because waves act as an energy store for the wind. Thus, the combination of wave energy converters (WECs) and wind turbines significantly reduces the need for backup generation and energy storage which leads to large reductions in costs (up to 40%) and emissions (up to 60%). DSM and WECs can both simultaneously reduce the cost and emissions of HES but need to be designed for the particular circumstances.
Extreme secular excitation of eccentricity inside mean motion resonance
Authors: Pichierri Gabriele , Morbidelli Alessandro , Lai Dong
Published: June 2017

Context. It is well known that asteroids and comets fall into the Sun. Metal pollution of white dwarfs and transient spectroscopic signatures of young stars like β-Pic provide growing evidence that extra solar planetesimals can attain extreme orbital eccentricities and fall into their parent stars.

Aims. We aim to develop a general, implementable, semi-analytical theory of secular eccentricity excitation of small bodies (planetesimals) in mean motion resonances with an eccentric planet valid for arbitrary values of the eccentricities and including the short-range force due to General Relativity.

Methods. Our semi-analytic model for the restricted planar three-body problem does not make use of series expansion and therefore is valid for any eccentricity value and semi-major axis ratio. The model is based on the application of the adiabatic principle, which is valid when the precession period of the longitude of pericentre of the planetesimal is much longer than the libration period in the mean motion resonance. In resonances of order larger than 1 this is true except for vanishingly small eccentricities. We provide prospective users with a Mathematica notebook with implementation of the model allowing direct use.

Results. We confirm that the 4:1 mean motion resonance with a moderately eccentric (e′ ≲ 0.1) planet is the most powerful one to lift the eccentricity of planetesimals from nearly circular orbits to star-grazing ones. However, if the planet is too eccentric, we find that this resonance is unable to pump the planetesimal’s eccentricity to a very high value. The inclusion of the General Relativity effect imposes a condition on the mass of the planet to drive the planetesimals into star-grazing orbits. For a planetesimal at ~ 1 AU around a solar mass star (or white dwarf), we find a threshold planetary mass of about 17 Earth masses. We finally derive an analytical formula for this critical mass.

Conclusions. Planetesimals can easily fall into the central star even in the presence of a single moderately eccentric planet, but only from the vicinity of the 4:1 mean motion resonance. For sufficiently high planetary masses the General Relativity effect does not prevent the achievement of star-grazing orbits.
Sturzrisiko erkennen
Authors: Marks Detlef
Published: June 2017

Alte Menschen stürzen oft. Um das Sturzrisiko eines alten Menschen zu beurteilen, nutzt man beispielsweise den Tinetti-Test. So kann man die Behandlung an das Sturzrisiko anpassen und den Therapieerfolg dokumentieren und evaluieren.
Alltagsfähigkeiten zuverlässig messen
Authors: Lüthi Hansjörg
Published: June 2017

Vor 23 Jahren entwickelte der amerikanische Mediziner Carl V. Granger den Functional Independence Measure – kurz FIM. Mit ihm misst man Funktionsverbesserungen und Alltagsfähigkeiten. Heute ist der FIM eines der am häufigsten angewandten Assessments in der Rehabilitation, um die Selbstständigkeit von Patienten nach Trauma oder Krankheit zu prüfen.
Koordination im Mittelpunkt
Authors: Brötz Doris , Burkard Susanne , Schöls Ludger , Synofzik Matthis , Ilg Winfried
Published: June 2017

Ein volles Glas Wasser, eine Suppe zum Mittagessen, ein Spaziergang in der Stadt – das alles kann Menschen mit einer zerebellären Ataxie in Schwierigkeiten bringen. In diesem Artikel stellen Mitarbeiter der Universitätsklinik Tübingen ein aktives Behandlungskonzept vor, das das Trainieren vielfältiger, koordinativ anspruchsvoller Bewegungen in den Mittelpunkt stellt.
Einzelfallstudie über die Effekte von Spiegeltherapie auf die motorische Funktionsfähigkeit bei einem Kind mit Hemiparese
Authors: Jung M. , Wachter S. , Tomczak M.
Published: June 2017

Hintergrund: Die Spiegeltherapie stellt bei der Behandlung von Hemiparesen nach Schlaganfall bei Erwachsenen eine effektive Therapieform zur Verbesserung motorischer Funktionen dar. Aufgrund der vorliegenden Evidenz bei Erwachsenen und den Wirkmechanismen dieser Therapieform kann vermutet werden, dass sie auch bei der Behandlung eines Kindes mit Hemiparese positive Effekte hervorrufen kann.

Ziel: Die Studie diente der Evaluation möglicher Effekte von Spiegeltherapie auf die motorische Funktionsfähigkeit des betroffenen Arms bei einem Kind mit Hemiparese. Zusätzlich wurde auch die praktische Umsetzung betrachtet.

Methode: Die Probandin (weiblich, 7 Jahre) der kontrollierten Einzelfallstudie im A-B-Design führte die Spiegeltherapie über einen Zeitraum von 4 Wochen lang 3-mal täglich für 10 Minuten aus. Es wurden sowohl uni- als auch bilaterale Bewegungen integriert. Die primäre Fragestellung betraf das Assisting Hand Assessment (AHA). Zur Verlaufskontrolle erfolgte 2-mal wöchentlich der Box-and-Block-Test. Daneben kamen Skalen zur Erfassung der Motivations- und Konzentrationsfähigkeit während der Spiegeltherapie zum Einsatz.

Ergebnisse: Die Probandin zeigte bei allen eingesetzten Assessments positive Veränderungen. Der Posttest des AHA wies eine deutliche Verbesserung auf.

Schlussfolgerung: Es besteht Grund zur Annahme, dass Spiegeltherapie bei Kindern mit Hemiparese eine effektive Behandlungsmaßnahme darstellt. Für evidenzbasierte Aussagen bedarf es weiterer und umfangreicherer Studien.
Management of Rectal Polyps
Authors: Cowan Michelle , Silviera Matthew
Published: June 2017

Colorectal cancer is one of the most common causes of cancer and cancer morbidity in the United States. In comparison to colon polyps, rectal polyps pose a unique challenge. Advances in endoscopic techniques have allowed for more thorough rectal adenoma detection and removal; however, there remains a concern over piecemeal resection and negative resection margins. Advances in transanal excision techniques, such as transanal endoscopic microsurgery, have been proposed for the removal of benign polyps as well as some early stage rectal cancers, with emphasis on proper patient selection. This review will discuss the current endoscopic and surgical considerations of both benign and malignant rectal polyps.
Stereoselective SN1-Type Reaction of Enols and Enolates
Authors: Gualandi Andrea , Mengozzi Luca , Cozzi Pier
Published: June 2017

Stereoselective alkylation of enolates represents a valuable and important procedure for accessing carbon–carbon-bond frameworks in natural and nonnatural product synthesis. Usually, activated electrophilic partners that react through an SN2 mechanism are employed. To overcome the limitations due to reduced reactivity and steric hindrance, SN1-type reactions can be considered a valid and practical alternative. Accessible enolates can be used in stereoselective (diastereo- or enantioselective) reactions with electrophilic carbenium ions, either used as stable reagents or generated in situ from suitable precursors. The results achieved in this active field are summarized in this review.

1 Introduction

2 Alcohols in SN1-Type Reactions with Enolates

2.1 Enantioselective Reactions with Metal Complexes

2.2 Organocatalytic Enantioselective Reactions

3 Alcohols and Alcohol Derivatives in SN1-Type Reactions with Enolates­: Enantioselective Reactions with Metal Enolates

4 Isolated Carbenium Ions in SN1-Type Reactions with Enolates: Enantioselective­ Reactions with Metal Enolates

5 Miscellaneous

6 Conclusion
Hematocrit and Stroke: A Forgotten and Neglected Link?
Authors: Stavropoulos Konstantinos , Imprialos Konstantinos , Boutari Chrysoula , Doumas Michael , Bouloukou Sofia
Published: June 2017

Stroke is considered among the most common causes of mortality and disability, leading to dramatic socioeconomic consequences. From a pathophysiologic perspective, enhanced blood viscosity due to increased hematocrit might be associated with stroke through impaired cerebral blood perfusion. This association has remained rather neglected during previous decades, but newly emerged as an epicenter of scientific interest due to the unexpected elevation of stroke rates with sodium-glucose cotransporter-2 inhibitors, a new class of hypoglycemic drugs with otherwise dramatic cardiovascular benefits. The purpose of this article is to review available data on the relation between stroke and hematocrit values. Data from large observational studies point toward an increased risk for stroke in individuals with elevated hematocrit. Data also suggest that the coexistence of increased hematocrit values and hypertension significantly enhance the risk of cerebrovascular events compared with each condition alone. Additionally, high hematocrit values seem related to worse survival outcomes in post-stroke patients. Collectively, the association between hematocrit and stroke seems to be strong and independent in high hematocrit values (>0.50) in both previously healthy individuals and post-stroke patients, but remains less clarified in patients with normal hematocrit values.
Cardiac Surgery in Patients with Parkinson's Disease: A Retrospective Analysis of a High-Risk Cohort
Authors: Schroeter Thomas , Wehbe Mahmoud , Mende Meinhard , Sauer Matthias , Aydin Muhammed , Bakhtiary Farhad , Mohr Friedrich , Vondran Maximilian
Published: June 2017

Background Little is known about the perioperative course of patients with Parkinson's disease (PD) undergoing cardiac surgery. The objective of this study was to identify the influence of PD on the perioperative course and to improve treatment.

Methods Perioperative data were analyzed retrospectively from 130 patients undergoing cardiac surgery between September 2001 and April 2013 who had PD and were compared using 1:1 matched-pair analysis with 130 controls not affected by PD.

Results The 30-day all-cause mortality (4.6 vs. 9.2%; p = 0.21; odds ratio [OR] = 0.45; 95% confidence interval [CI]: 0.16, 1.31) and the overall all-cause mortality (27.7 vs. 28.5%; hazard ratio [HR] = 0.96 [0.56, 1.66]; p = 1.00) were not significantly different between PD patients and the control group. Emergency surgery (p = 0.04; OR = 3.20; 95% CI: 1.06, 9.66) and postoperative pneumonia (p < 0.001; OR = 11.3; 95% CI: 3.06, 41.6) were associated with 30-day mortality. Independent predictors of all-cause mortality were age at surgery (p = 0.01; OR = 3.58; 95% CI: 1.38, 9.30), NYHA (New York Heart Association) classification stage IV (p = 0.02; OR = 17.3; 95% CI: 1.52, 198), and postoperative pneumonia (p = 0.05; OR = 46.4; 95% CI: 0.97, 2219). We did not observe an association of PD with short- or long-term all-cause mortality after adjustment for associated covariates.

Conclusions We found that PD is not a significant risk factor for perioperative morbidity and mortality in our cohort. Our study showed that patients with PD had outcomes that were similar to those of non-PD patients.
Molekulare Entzündungsdiagnostik im 21. Jahrhundert – der Weg zu mehr Spezifität und individualisierter Medizin?
Authors: Bouter Caroline
Published: June 2017

Die Diagnostik entzündlicher Erkrankungen stellt nach wie vor eine große klinische Herausforderung dar. Die molekulare Bildgebung erlaubt die Darstellung eines entzündlichen Geschehens in vivo, wobei pathophysiologische Veränderungen in einer frühen Phase des Entzündungsprozesses noch vor dem Auftreten anatomischer Veränderungen detektierbar sind. Es stehen verschiedene nuklearmedizinische Tracer zur Entzündungsdiagnostik mittels Gammakamera und PET/CT mit unterschiedlicher Spezifität zur Darstellung einer Entzündung zur Verfügung.

Der vorliegende Artikel befasst sich schwerpunktmäßig mit den Entwicklungen der nuklearmedizinischen Entzündungsdiagnostik in den letzten 16 Jahren. Auf dem Weg zu mehr Spezifität und Individualität in der Bildgebung akuter und chronischer Entzündungen werden erste Ergebnisse über die klinische Anwendung neue Tracer, mit ihren jeweiligen Vorzügen und Limitationen, vorgestellt.
Tetra-cis/trans-Coumaroyl Polyamines as NK1 Receptor Antagonists from Matricaria chamomilla
Authors: Park Sait , Song Kwangho , Kim Yeong
Published: June 2017

Cis-trans isomers of N
1,N
5,N
9,N
14-tetra-p-coumaroyl thermospermines and N
1,N
5,N
10,N
14-tetra-p-coumaroyl spermines were found in Matricaria chamomilla, German chamomile using countercurrent chromatography with methylene chloride-methanol-water (1:1:1, v/v/v). Their structures were elucidated based on spectroscopic and spectrometric data (1D and 2D NMR, and HRESIMS). The antagonistic activity against the neurokinin-1 receptor was examined by a calcium assay, measuring the cytosolic fluorescence triggered by substance P binding to the receptor. The compounds 1a/1b, 2a/2b, and 3a/3b potently suppressed the calcium flux compared to the known antagonist L-703,606 oxalate, indicating that the compounds competitively inhibited the binding of substance P. They also suppressed substance P-induced proliferation in MDA-MB-453, the HER2-amplified breast cancer cell line. It is suggested that tetracoumaroyl thermospermines and tetracoumaroyl spermines are promising antagonists, exerting positive effects on substance P/neurokinin-1 receptor-related diseases.
Understanding the effects of electronic polarization and delocalization on charge-transport levels in oligoacene systems
Authors: Sutton Christopher , Tummala Naga Rajesh , Kemper Travis , Aziz Saadullah G. , Sears John , Coropceanu Veaceslav , Brédas Jean-Luc
Published: June 2017

Electronic polarization and charge delocalization are important aspects that affect the charge-transport levels in organic materials. Here, using a quantum mechanical/embedded-charge (QM/EC) approach based on a combination of the long-range corrected ωB97X-D exchange-correlation functional (QM) and charge model 5 (CM5) point-charge model (EC), we evaluate the vertical detachment energies and polarization energies of various sizes of crystalline and amorphous anionic oligoacene clusters. Our results indicate that QM/EC calculations yield vertical detachment energies and polarization energies that compare well with the experimental values obtained from ultraviolet photoemission spectroscopy measurements. In order to understand the effect of charge delocalization on the transport levels, we considered crystalline naphthalene systems with QM regions including one or five-molecules. The results for these systems show that the delocalization and polarization effects are additive; therefore, allowing for electron delocalization by increasing the size of the QM region leads to the additional stabilization of the transport levels.
Response to “Comment on ‘The thermodynamical instability induced by pressure ionization in fluid helium’” [Phys. Plasmas 24, 064701 (2017)]
Authors: Li Qiong , Liu Hai-Feng , Zhang Gong-Mu , Zhao Yan-Hong , Lu Guo , Tian Ming-Feng , Song Hai-Feng
Published: June 2017

This is the response to the comment [W. L. Quan, Phys. Plasmas 24, 064701 (2017)] on the paper of Li et al. [Phys. Plasmas 23, 112709 (2016)].
Modeling hydroxylated nanosilica: Testing the performance of ReaxFF and FFSiOH force fields
Authors: Macià Escatllar Antoni , Ugliengo Piero , Bromley Stefan T.
Published: June 2017

We analyze the performance of the FFSiOH force field and two parameterisations of the ReaxFF force field for modeling hydroxylated nanoscale silica (SiO2). Such nanosystems are fundamental in numerous aspects of geochemistry and astrochemistry and also play a key role during the hydrothermal synthesis of technologically important nanoporous silicas (e.g., catalysts, absorbents, and coatings). We consider four aspects: structure, relative energies, vibrational spectra, and hydroxylation energies, and compare the results with those from density functional calculations employing a newly defined dataset (HND: Hydroxylated Nanosilica Dataset). The HND consists of three sets of (SiO2)16(H2O)N nanoparticles (NPs), each with a different degree of hydroxylation and each containing between 23 and 26 distinct isomers and conformers. We also make all HND reference data openly available. We further consider hydroxylated silica NPs of composition (SiO2)M(H2O)N with M = 4, 8, 16, and 24 and infinite surface slabs of amorphous silica, both with variable hydroxylation. For energetics, both ReaxFF and FFSiOH perform well for NPs with an intermediate degree of hydroxylation. For increased hydroxylation, the performance of FFSiOH begins to significantly decline. Conversely, for the lower degree of hydroxylation both parameterisations of ReaxFF do not perform well. For vibrational frequencies, FFSiOH performs particularly well and significantly better than ReaxFF. This feature also opens the door to inexpensively calculating Gibbs free energies of the hydroxylated nanosilica systems in order to efficiently correct density functional theory calculated electronic energies. We also show how some small changes to FFSiOH could improve its performance for higher degrees of hydroxylation.
Numerical study of the existence criterion for the reversed shear Alfven eigenmode in the presence of a parallel equilibrium current
Authors: Shahzad M. , Rizvi H. , Panwar A. , Ryu C. M.
Published: June 2017

We have re-visited the existence criterion of the reverse shear Alfven eigenmodes (RSAEs) in the presence of the parallel equilibrium current by numerically solving the eigenvalue equation using a fast eigenvalue solver code KAES. The parallel equilibrium current can bring in the kink effect and is known to be strongly unfavorable for the RSAE. We have numerically estimated the critical value of the toroidicity factor Qtor in a circular tokamak plasma, above which RSAEs can exist, and compared it to the analytical one. The difference between the numerical and analytical critical values is small for low frequency RSAEs, but it increases as the frequency of the mode increases, becoming greater for higher poloidal harmonic modes.
Magnetohydrodynamic simulation study of plasma jets and plasma-surface contact in coaxial plasma accelerators
Authors: Subramaniam Vivek , Raja Laxminarayan L.
Published: June 2017

Recent experiments by Loebner et al. [IEEE Trans. Plasma Sci. 44, 1534 (2016)] studied the effect of a hypervelocity jet emanating from a coaxial plasma accelerator incident on target surfaces in an effort to mimic the transient loading created during edge localized mode disruption events in fusion plasmas. In this paper, we present a magnetohydrodynamic (MHD) numerical model to simulate plasma jet formation and plasma-surface contact in this coaxial plasma accelerator experiment. The MHD system of equations is spatially discretized using a cell-centered finite volume formulation. The temporal discretization is performed using a fully implicit backward Euler scheme and the resultant stiff system of nonlinear equations is solved using the Newton method. The numerical model is employed to obtain some key insights into the physical processes responsible for the generation of extreme stagnation conditions on the target surfaces. Simulations of the plume (without the target plate) are performed to isolate and study phenomena such as the magnetic pinch effect that is responsible for launching pressure pulses into the jet free stream. The simulations also yield insights into the incipient conditions responsible for producing the pinch, such as the formation of conductive channels. The jet-target impact studies indicate the existence of two distinct stages involved in the plasma-surface interaction. A fast transient stage characterized by a thin normal shock transitions into a pseudo-steady stage that exhibits an extended oblique shock structure. A quadratic scaling of the pinch and stagnation conditions with the total current discharged between the electrodes is in qualitative agreement with the results obtained in the experiments. This also illustrates the dominant contribution of the magnetic pressure term in determining the magnitude of the quantities of interest.
Quantitative analysis of Al-Si alloy using calibration free laser induced breakdown spectroscopy (CF-LIBS)
Authors: Shakeel Hira , Haq S. U. , Aisha Ghulam , Nadeem Ali
Published: June 2017

The quantitative analysis of the standard aluminum-silicon alloy has been performed using calibration free laser induced breakdown spectroscopy (CF-LIBS). The plasma was produced using the fundamental harmonic (1064 nm) of the Nd: YAG laser and the emission spectra were recorded at 3.5 μs detector gate delay. The qualitative analysis of the emission spectra confirms the presence of Mg, Al, Si, Ti, Mn, Fe, Ni, Cu, Zn, Sn, and Pb in the alloy. The background subtracted and self-absorption corrected emission spectra were used for the estimation of plasma temperature as 10 100 ± 300 K. The plasma temperature and self-absorption corrected emission lines of each element have been used for the determination of concentration of each species present in the alloy. The use of corrected emission intensities and accurate evaluation of plasma temperature yield reliable quantitative analysis up to a maximum 2.2% deviation from reference sample concentration.