bluuebunny/crossref_metadata_2025 huggingface dataset:
Effect of alkali-metal cations on the electrochemical reduction of carbon dioxide to formic acid using boron-doped diamond electrodes
Authors: Ikemiya Norihito , Natsui Keisuke , Nakata Kazuya , Einaga Yasuaki
Published: April 2017

Rb+ cations provide a greater effect on the electrochemical conversion of CO2 to formic acid using BDD electrodes.
Palladium-catalyzed difluoromethylation of heteroaryl chlorides, bromides and iodides
Authors: Lu Changhui , Gu Yang , Wu Jiang , Gu Yucheng , Shen Qilong
Published: April 2017

A palladium-catalyzed difluoromethylation of a series of heteroaryl chlorides, bromides and iodides under mild conditions is described.
High-rate sodium ion anodes assisted by N-doped carbon sheets
Authors: Ge Peng , Hou Hongshuai , Liu Nianci , Qiu Xiaoqing , Zeng Qing , Wang Chao , Shao Lidong , Ji Xiaobo
Published: April 2017

Well-defined 3D nitrogen-doped porous carbon materials (NPCMs) have been obtained from CQDs and melamine by the self-assembly process, presenting a distinct textural structure with uniform N-doping distribution.
Synergistic effect induced ultrafine SnO2/graphene nanocomposite as an advanced lithium/sodium-ion batteries anode
Authors: Chen Weihua , Song Keming , Mi Liwei , Feng Xiangming , Zhang Jianmin , Cui Shizhong , Liu Chuntai
Published: April 2017

A synergistic effect induced ultrafine-SnO2/graphene nanocomposite is synthesized via a simple method as an advanced lithium/sodium-ion batteries anode material.
Towards a full understanding of regioisomer effects of indene-C60 bisadduct acceptors in bulk heterojunction polymer solar cells
Authors: Cao Tiantian , Chen Ning , Liu Guangxin , Wan Yingbo , Perea José Darío , Xia Yijun , Wang Zhaowei , Song Bo , Li Ning , Li Xiaohong , Zhou Yi , Brabec Christoph J. , Li Yongfang
Published: April 2017

A complete regioisomer separation of indene-C60 bisadduct (IC60BA) for polymer solar cell (PSC) applications was conducted for the first time.
Microorganism-moulded pomegranate-like Na3V2(PO4)3/C nanocomposite for advanced sodium-ion batteries
Authors: Zhu Qizhen , Chang Xiaqing , Sun Ning , Liu Huan , Chen Renjie , Wu Feng , Xu Bin
Published: April 2017

Microorganism-moulded pomegranate-like Na3V2(PO4)3/C composites show a hierarchical structure with a N-/P-doped carbon matrix, resulting in a sodium ion battery cathode material with a good rate performance and an outstanding long-term cycling stability.
Controllable synthesis of hierarchical ball-in-ball hollow microspheres for a high performance layered Li-rich oxide cathode material
Authors: Yu Fu-Da , Que Lan-Fang , Wang Zhen-Bo , Xue Yuan , Zhang Yin , Liu Bao-Sheng , Gu Da-Ming
Published: April 2017

Novel hierarchical ball-in-ball hollow Li-rich microspheres with a multi-elemental composition are reported as a high performance cathode material for Li-ion batteries with excellent rate capability and superior cycle stability.
Gum tragacanth–alginate beads as proangiogenic–osteogenic cell encapsulation systems for bone tissue engineering
Authors: Kulanthaivel Senthilguru , Rathnam V. S. Sharan , Agarwal Tarun , Pradhan Susanta , Pal Kunal , Giri Supratim , Maiti Tapas K. , Banerjee Indranil
Published: April 2017

The presence of gum tragacanth in calcium alginate beads makes them more osteo-conductive and proangiogenic.
Analysis of M/G/1 retrial queues with second optional service and customer balking under two types of Bernoulli vacation schedule
Authors: Madheswari S. Pavai , Krishna Kumar B. , Suganthi P.
Published: April 2017

An M/G/1 retrial queueing system with two phases of service of which the second phase is optional and the server operating under Bernoulli vacation schedule is investigated. Further, the customer is allowed to balk upon arrival if he finds the server unavailable to serve his request immediately. The joint generating functions of orbit size and server status are derived using supplementary variable technique. Some important performance measures like the orbit size, the system size, the server utilisation and the probability that the system is empty are found. Stochastic decomposition law is established when there is no balking permitted. Some existing results are derived as special cases of our model under study. Interestingly, these performance measures are compared for various vacation schedules namely exhaustive service, 1-limited service, Bernoulli vacation and modified Bernoulli vacation schedules. Extensive numerical analysis is carried out to exhibit the effect of the system parameters on the performance measures.
Presenting Symptoms of Pituitary Apoplexy
Authors: Mavridis Ioannis , Meliou Maria , Pyrgelis Efstratios-Stylianos
Published: April 2017

The classical term “pituitary apoplexy” (PA) describes a clinical syndrome usually characterized by abrupt onset of headache accompanied by neurologic and/or endocrinologic deterioration due to sudden expansion of a mass within the sella turcica as a result of hemorrhage or infarction within a pituitary tumor and adjacent pituitary gland. PA is a medical emergency and a difficult diagnosis to establish. Thus this article reviews the presenting symptoms of PA patients to help clinicians recognize or at least suspect this critical condition early on. PA commonly occurs in the setting of a preexisting adenoma, and several patients are unaware of its existence prior to the onset of apoplexy symptoms, which are mainly of a neurologic, ophthalmologic, and endocrinologic nature. Neurologic symptoms include sudden-onset severe headache and other symptoms of subarachnoid hemorrhage, symptoms from compression of the cavernous sinus contents, nausea/vomiting, impaired consciousness, and symptoms of meningeal irritation. Ophthalmologic symptoms include visual field defects, visual loss, diplopia, and ophthalmoplegia. Endocrinologic disturbances include pituitary adenoma symptoms, cortisol deficiency, panhypopituitarism, diabetes insipidus, and syndrome of inappropriate secretion of antidiuretic hormone. Magnetic resonance imaging is the imaging method of choice to aid the PA diagnosis. Its differential diagnoses include cerebrovascular accidents, infectious diseases, and other causes of endocrinologic imbalance. Transsphenoidal surgery is the treatment of choice, especially if there are associated visual abnormalities and ophthalmoplegia. Clinicians should be aware of the presenting symptoms because early diagnosis may reduce the morbidity and mortality of this neurosurgical emergency.
Symptomatic Outcome after Bone-only Suboccipital Decompression in Adult Patients with Chiari Type I Malformations in the Absence of Hydromyelia or Hydrocephalus
Authors: Abuhusain Hazem , Gunawardena Manuri , Auschwitz Tyler , Teo Charles , Koechlin Nicolas
Published: April 2017

Background Type I Chiari malformation presents without an associated hydromyelia in 30 to 70% of cases, yet there is no agreement regarding the optimal surgical treatment for these patients. We review our experience for treating symptomatic adult type I Chiari malformation without hydromyelia using a suboccipital bone decompression of the hindbrain and no duraplasty in 12 adult patients. Outcome was measured according to the Chicago Chiari Outcome Scale (CCOS).

Results Nine of 12 patients were female; average age at surgery was 34.4 years (range: 17–67 years). Average duration of symptoms prior to surgery was 9.6 years (2 months–29 years). The most common symptom was head and/or neck pain (11/12 patients). All patients additionally presented with at least one non-pain symptom. Mean degree of tonsillar herniation on magnetic resonance imaging was 6.8 mm (range: 5–12 mm) below McRae's line. Operative time was on average 68 minutes (range: 47–120 minutes). No surgical complications were noted in any patient. Length of hospital stay was 2 days (1 overnight) for all patients. Mean follow-up was 167 weeks (range: 13–378 weeks). CCOS for all patients on average was 14.50 (range: 12–16). Pain symptoms underwent improvement (7/11 [63.6%]) or complete resolution (4/11 [36.4%]) in all affected patients. A shorter duration of preoperative symptoms significantly correlated with a better CCOS (p = 0.03). Degree of tonsillar herniation had no significant effect on CCOS (p = 0.67). Of non-pain symptoms, paresthesias/dysesthesias and visual symptoms improved or resolved completely in all affected patients. No patient experienced a worsening of either pain or non-pain symptoms.

Conclusion In the subset of adult patients with a type I Chiari malformation and no associated hydromyelia, a craniectomy without an additional opening of the dura may achieve good overall results according to the CCOS.
REMISSIONPLUS eine Initiative zur Integration moderner Bildgebung in die rheumatologische Versorgung Rückblick, Einblick, Ausblick: Auswertung der Niederfeld-MRT Daten
Authors: Sewerin Philipp , Klein Sabine , Brinks Ralph , Hoyer Annika , Schleich Christoph , Miese Falk , Blaschke Sabine , Edelmann Edmund , Gao Ino , Georgi Joachim , Kellner Herbert , Keyßer Gernot , Lorenz Hanns-Martin , Müller-Ladner Ulf , Pott Hans-Georg , Schulze-Koops Hendrik , Walther Marisa , Schmidt Wolfgang , Schneider Matthias , Ostendorf Benedikt
Published: April 2017

Bildgebende Verfahren nehmen heute bei der Diagnosestellung und Therapiekontrolle der Rheumatoiden Arthritis (RA) eine unverzichtbare Rolle ein. Die Initiative REMISSIONPLUS hat seit 2006 über 10 Jahre das Ziel verfolgt, moderne bildgebende Verfahren wie die Arthrosonografie und die Magnetresonanztomografie (MRT) in den klinischen Alltag des Rheumatologen zu implementieren. Neben Schulungen (über 3 000 Rheumatologen in über 200 Veranstaltungen) wurden zahlreiche Bildgebungs- Studien durchgeführt. Erstmals werden jetzt zusammenhängend alle Niederfeld-MRT Daten aus der Initiative vorgestellt. Die Ergebnisse dieser multizentrischen Studie zeigen, dass die Niederfeld-MRT für RA Patienten eine komfortable Untersuchungsmethode darstellt und für den Rheumatologen die Möglichkeit bietet, effektiv und sehr genau Therapieeffekte (DMARD, Biologika) zu kontrollieren. Die MRT-Daten korrelierten hierbei signifikant mit Klinik und Labor. Mit der Methode ist es ferner möglich bei RA-Patienten subklinische Arthritiszeichen zu detektieren, zum anderen konnte fortschreitende radiologische Progression (Erosivität), trotz klinischer Remission („silent progression") erkannt werden. Diese Ergebnisse sind konventionell radiologisch nicht zu gewinnen, sodass der Einsatz der MRT neue Einblicke in die Pathogenese und konsekutiv neue Informationen für das Management der RA liefert. Die Bewertung dieser Vorteile und der Benefit für den Patienten im klinischen Alltag muss in weiteren Studien untersucht und diskutiert werden.
Die hereditäre Hämochromatose: Eine interdisziplinäre diagnostische und therapeutische Herausforderung
Authors: Rihl Markus
Published: April 2017

Die hereditäre Hämochromatose (HH) ist mit einer Homozygoten-Frequenz von 1:200–400 die häufigste autosomal-rezessiv vererbte Stoffwechselstörung in der mittel-/nordeuropäischen Bevölkerung. Die genetischen Defekte bei der HH werden derzeit in 4 Typen unterschieden und zeigen Mutationen im HFE-, Hemojuvelin-, Hepcidin-, TfR2- oder dem Ferroportin 1-Gen. Typ 1 ist die klassische und häufigste Form der HH, bei der 2 Mutationen (C282Y und H63D) im HFE-Gen auf Chromosom 6 identifiziert wurden; wobei mittlerweile zahlreiche Längsschnittstudien eine relativ niedrige Penetranz der Mutationen nachgewiesen haben. Die genetische Testung wird empfohlen für Patienten, bei denen eine erhöhte Transferrinsättigung besteht und für gesunde Personen, die einen Verwandten 1. Grades mit einer HH haben. Bei der HH kommt es über Jahre zu einer stark erhöhten Eisenresorption aus der Nahrung, die zunehmende Eisenüberladung führt unbehandelt u. a. zu Hepatomegalie, Diabetes mellitus, Hautverfärbung („Bronzediabetes“), Kardiomyopathie, Libidoverlust/Infertilität und Leberzirrhose bis hin zum hepatozellulären Karzinom. Häufiges und im Krankheitsverlauf schon früh auftretendes Leitsymptom der Erkrankung sind Arthralgien, die als Manifestation der Hämochromatose-Arthropathie (HCA) zu sehen sind. Typisch sind Arthrosen im Bereich der MCP-Gelenke, letztlich können aber alle Gelenke von degenerativen Veränderungen betroffen sein; auch die Chondrokalzinose (CPPD-Kristallarthropathie) mit akuten, anfallsartigen Arthritiden ist charakteristisch für die HCA. Die Gelenkbeteiligung korreliert nicht zwangsläufig mit dem Grad der Eisenüberladung und im Gegensatz zu den meisten anderen Manifestationen lassen sich die Beschwerden bzw. die klinischen Manifestationen am Bewegungssystem durch therapeutische Aderlässe nicht bessern, auch immunmodulierende Therapien bleiben häufig ohne Ansprechen, sodass letztlich die symptomatische Therapie im Vordergrund steht. Bei der Aderlasstherapie sollten zunächst alle 1–2 Wochen 400–500 ml Blut entfernt werden, Therapieziel sollten niedrignormale Serumferritinwerte sein (20–150 µg/l), bei Auftreten einer Anämie werden die Aderlässe pausiert. Diese Übersicht stellt die aktuellen klinischen, pathogenetischen, diagnostischen sowie therapeutischen Aspekte dieser Erkrankung dar.
Surveillance after resection of pancreatic ductal adenocarcinoma with curative intent – a multicenter survey in Germany and review of the literature
Authors: Ettrich Thomas , Schulte Lucas , Eitel Natalie , Ettrich Kristin , Berger Andreas , Perkhofer Lukas , Seufferlein Thomas
Published: April 2017

Background Pancreatic ductal adenocarcinoma (PDAC) is one of the most lethal cancers with high risk of relapse even after curative-intended resection. There are no evidence-based recommendations for surveillance in actual guidelines. Given this situation and as a basis for prospective studies, we wanted to determine the current practice of surveillance after pancreatic cancer resection in German institutions.

Methods A web-based questionnaire was sent in 2015 to 300 German institutions (hospitals, outpatient clinics, and private practices) experienced in the care of patients with PDAC. The questionnaire comprised 23 items including the respective institution, the level of care, the annual case load of pancreatic cancer surgery, the surveillance algorithms used, and the most frequently used means for surveillance as well as their evaluation by the users with respect to the effectiveness of these means. Additionally, we perform a review of the literature.

Results The final analysis comprised 161 questionnaires (response rate 53.7 %). Mainly high-volume centers (82.5 % with > 300 hospital beds) participated. In 46.6 % of centers, more than 80 % of patients received adjuvant chemotherapy after surgery. Between 60 – 80 % of these patients completed the recommended 6 months of adjuvant treatment, and 47 % of the patients received the whole treatment (surgery, adjuvant therapy) and surveillance in the same center. Upon completion of adjuvant treatment, 96 % of centers survey their patients, and 82 % of these centers already employ diagnostic means during the course of adjuvant chemotherapy. The most commonly used diagnostic means were taking patient history, conducting physical examination, performing laboratory tests including CA19 – 9, and imaging. Of those employed, CA19 – 9 and imaging followed by patient history were considered the most efficient to detect disease relapse by the centers. Half of the institutions perform surveillance for 5 years after surgery.

Conclusion This is the first systematic analysis of self-reported surveillance strategies used in Germany after resection of PDAC with curative intent. Surveillance after resection of PDAC with curative intent is common in Germany. Alterations of CA19 – 9 levels as well as imaging and taking patient history are considered the most efficient means to detect relapse of disease by the physicians participating in our survey.
High-precision control of static magnetic field magnitude, orientation, and gradient using optically pumped vapour cell magnetometry
Authors: Ingleby S. J. , Griffin P. F. , Arnold A. S. , Chouliara M. , Riis E.
Published: April 2017

An integrated system of hardware and software allowing precise definition of arbitrarily oriented magnetic fields up to |B| = 1 μT within a five-layer Mumetal shield is described. The system is calibrated with reference to magnetic resonance observed between Zeeman states of the 6S1/2 F = 4 133Cs ground state. Magnetic field definition over the full 4π solid angle is demonstrated with one-sigma tolerances in magnitude, orientation, and gradient of δ|B| = 0.94 nT, δθ = 5.9 mrad, and δ|∇B|=13.0 pT/mm, respectively. This field control is used to empirically map Mx magnetometer signal amplitude as a function of the static field (B0) orientation.
Limitations of the clump-correlation theories of shear-induced turbulence suppression
Authors: Zhang Y. Z. , Mahajan S. M.
Published: April 2017

The clump theory, primarily constructed by Dupree [Phys. Fluids 15, 334 (1972)] based on the moment approach and then generalized to the correlation theory [Y. Z. Zhang and S. M. Mahajan, Phys. Fluids B 5, 2000 (1993)], has long served as a basis for constructing theories of turbulence suppression by shear flow. In order to reveal the “intrinsic approximation” invoked in the clump-correlation theory, we examine a model based on two dimensional magnetized drift waves. After a rigorous derivation of the exact response function—a key to average the Green function of the system—we show that the Dupree, Zhang-Mahajan approach is recovered as the lowest order approximation in a small dimensionless parameter ϒ which is a triple product of the correlation time, wave number, and fluctuating drift velocity. The clump-correlation theory, thus, constitutes the Gaussian and lowest order non-Markovian process for a homogeneous stationary turbulence. We also provide, especially for the tokamak community, a readily usable formula to evaluate the effectiveness of shear-flow suppression; this formula pertains regardless of the specific model of correlation time.
Controlling charge transport mechanisms in molecular junctions: Distilling thermally induced hopping from coherent-resonant conduction
Authors: Kim Hyehwang , Segal Dvira
Published: April 2017

The electrical conductance of molecular junctions may depend strongly on the temperature and weakly on molecular length, under two distinct mechanisms: phase-coherent resonant conduction, with charges proceeding via delocalized molecular orbitals, and incoherent thermally assisted multi-step hopping. While in the case of coherent conduction, the temperature dependence arises from the broadening of the Fermi distribution in the metal electrodes, in the latter case it corresponds to electron-vibration interaction effects on the junction. With the objective to distill the thermally activated hopping component, thus exposing intrinsic electron-vibration interaction phenomena on the junction, we suggest the design of molecular junctions with “spacers,” extended anchoring groups that act to filter out phase-coherent resonant electrons. Specifically, we study the electrical conductance of fixed-gap and variable-gap junctions that include a tunneling block, with spacers at the boundaries. Using numerical simulations and analytical considerations, we demonstrate that in our design, resonant conduction is suppressed. As a result, the electrical conductance is dominated by two (rather than three) mechanisms: superexchange (deep tunneling) and multi-step thermally induced hopping. We further exemplify our analysis on DNA junctions with an A:T block serving as a tunneling barrier. Here, we show that the electrical conductance is insensitive to the number of G:C base-pairs at the boundaries. This indicates that the tunneling-to-hopping crossover revealed in such sequences truly corresponds to the properties of the A:T barrier.
Imaging diffraction oscillations for inelastic collisions of NO radicals with He and D2
Authors: de Jongh Tim , Karman Tijs , Vogels Sjoerd N. , Besemer Matthieu , Onvlee Jolijn , Suits Arthur G. , Thompson James O. F. , Groenenboom Gerrit C. , van der Avoird Ad , van de Meerakker Sebastiaan Y. T.
Published: April 2017

We present state-to-state differential cross sections for collisions of NO molecules (X2Π1/2,j=1/2,f) with He atoms and ortho-D2 (j = 0) molecules as a function of collision energy. A high angular resolution obtained using the combination of Stark deceleration and velocity map imaging allows for the observation of diffraction oscillations in the angular scattering distributions. Differences in the differential cross sections and, in particular, differences in the angular spacing between individual diffraction peaks are observed. Since the masses of D2 and He are almost equal and since D2(j = 0) may be considered as a pseudo-atom, these differences directly reflect the larger size of D2 as compared to He. The observations are in excellent agreement with the cross sections obtained from quantum close-coupling scattering calculations based on accurate ab initio NO–He and NO–D2 potential energy surfaces. For the latter, we calculated a new NO–D2 potential energy surface.
Ion-ion coincidence imaging at high event rate using an in-vacuum pixel detector
Authors: Long Jingming , Furch Federico J. , Durá Judith , Tremsin Anton S. , Vallerga John , Schulz Claus Peter , Rouzée Arnaud , Vrakking Marc J. J.
Published: April 2017

A new ion-ion coincidence imaging spectrometer based on a pixelated complementary metal-oxide-semiconductor detector has been developed for the investigation of molecular ionization and fragmentation processes in strong laser fields. Used as a part of a velocity map imaging spectrometer, the detection system is comprised of a set of microchannel plates and a Timepix detector. A fast time-to-digital converter (TDC) is used to enhance the ion time-of-flight resolution by correlating timestamps registered separately by the Timepix detector and the TDC. In addition, sub-pixel spatial resolution (<6 μm) is achieved by the use of a center-of-mass centroiding algorithm. This performance is achieved while retaining a high event rate (104 per s). The spectrometer was characterized and used in a proof-of-principle experiment on strong field dissociative double ionization of carbon dioxide molecules (CO2), using a 400 kHz repetition rate laser system. The experimental results demonstrate that the spectrometer can detect multiple ions in coincidence, making it a valuable tool for studying the fragmentation dynamics of molecules in strong laser fields.
Edge-preserving reconstruction from sparse projections of limited-angle computed tomography using ℓ-regularized gradient prior
Authors: Yu Wei , Wang Chengxiang , Huang Min
Published: April 2017

Accurate images reconstructed from limited computed tomography (CT) data are desired when reducing the X-ray radiation exposure imposed on patients. The total variation (TV), known as the l1-norm of the image gradient magnitudes, is popular in CT reconstruction from incomplete projection data. However, as the projection data collected are from a sparse-view of the limited scanning angular range, the results reconstructed by a TV-based method suffer from blocky artifact and gradual changed artifacts near the edges, which in turn make the reconstruction images degraded. Different from the TV, the ℓ0-norm of an image gradient counts the number of its non-zero coefficients of the image gradient. Since the regularization based on the ℓ0-norm of the image gradient will not penalize the large gradient magnitudes, the edge can be effectively retained. In this work, an edge-preserving image reconstruction method based on l0-regularized gradient prior was investigated for limited-angle computed tomography from sparse projections. To solve the optimization model effectively, the variable splitting and the alternating direction method (ADM) were utilized. Experiments demonstrated that the ADM-like method used for the non-convex optimization problem has better performance than other classical iterative reconstruction algorithms in terms of edge preservation and artifact reduction.
High-resolution modeling of indirectly driven high-convergence layered inertial confinement fusion capsule implosions
Authors: Haines Brian M. , Aldrich C. H. , Campbell J. M. , Rauenzahn R. M. , Wingate C. A.
Published: April 2017

In this paper, we present the results of high-resolution simulations of the implosion of high-convergence layered indirect-drive inertial confinement fusion capsules of the type fielded on the National Ignition Facility using the xRAGE radiation-hydrodynamics code. In order to evaluate the suitability of xRAGE to model such experiments, we benchmark simulation results against available experimental data, including shock-timing, shock-velocity, and shell trajectory data, as well as hydrodynamic instability growth rates. We discuss the code improvements that were necessary in order to achieve favorable comparisons with these data. Due to its use of adaptive mesh refinement and Eulerian hydrodynamics, xRAGE is particularly well suited for high-resolution study of multi-scale engineering features such as the capsule support tent and fill tube, which are known to impact the performance of high-convergence capsule implosions. High-resolution two-dimensional (2D) simulations including accurate and well-resolved models for the capsule fill tube, support tent, drive asymmetry, and capsule surface roughness are presented. These asymmetry seeds are isolated in order to study their relative importance and the resolution of the simulations enables the observation of details that have not been previously reported. We analyze simulation results to determine how the different asymmetries affect hotspot reactivity, confinement, and confinement time and how these combine to degrade yield. Yield degradation associated with the tent occurs largely through decreased reactivity due to the escape of hot fuel mass from the hotspot. Drive asymmetries and the fill tube, however, degrade yield primarily via burn truncation, as associated instability growth accelerates the disassembly of the hotspot. Modeling all of these asymmetries together in 2D leads to improved agreement with experiment but falls short of explaining the experimentally observed yield degradation, consistent with previous 2D simulations of such capsules.
Electronic structure of VxTi1−xSe2 in wide concentration region (0.06 ≤ x ≤ 0.9)
Authors: Shkvarin A. S. , Merentsov A. I. , Yarmoshenko Yu. M. , Shkvarina E. G. , Zhukov Yu. M. , Titov A. A. , Titov A. N.
Published: April 2017

An experimental study of the electronic structure of VxTi1−xSe2 system in a wide range of vanadium concentrations (x = 0.06–0.9) using x-ray photoelectron spectroscopy and resonant photoelectron spectroscopy has been performed. The partial charge transfer from the VSe2 to TiSe2 structural fragments is experimentally observed, and the most part of the charge is localized on the vanadium atoms in the VSe2 structural fragments.
Generalized Sagdeev potential theory for shock waves modeling
Authors: Akbari-Moghanjoughi M.
Published: April 2017

In this paper, we develop an innovative approach to study the shock wave propagation using the Sagdeev potential method. We also present an analytical solution for Korteweg de Vries Burgers (KdVB) and modified KdVB equation families with a generalized form of the nonlinearity term which agrees well with the numerical one. The novelty of the current approach is that it is based on a simple analogy of the particle in a classical potential with the variable particle energy providing one with a deeper physical insight into the problem and can easily be extended to more complex physical situations. We find that the current method well describes both monotonic and oscillatory natures of the dispersive-diffusive shock structures in different viscous fluid configurations. It is particularly important that all essential parameters of the shock structure can be deduced directly from the Sagdeev potential in small and large potential approximation regimes. Using the new method, we find that supercnoidal waves can decay into either compressive or rarefactive shock waves depending on the initial wave amplitude. Current investigation provides a general platform to study a wide range of phenomena related to nonlinear wave damping and interactions in diverse fluids including plasmas.
Nonequilibrium generalised Langevin equation for the calculation of heat transport properties in model 1D atomic chains coupled to two 3D thermal baths
Authors: Ness H. , Stella L. , Lorenz C. D. , Kantorovich L.
Published: April 2017

We use a generalised Langevin equation scheme to study the thermal transport of low dimensional systems. In this approach, the central classical region is connected to two realistic thermal baths kept at two different temperatures [H. Ness et al., Phys. Rev. B 93, 174303 (2016)]. We consider model Al systems, i.e., one-dimensional atomic chains connected to three-dimensional baths. The thermal transport properties are studied as a function of the chain length N and the temperature difference ΔT between the baths. We calculate the transport properties both in the linear response regime and in the non-linear regime. Two different laws are obtained for the linear conductance versus the length of the chains. For large temperatures (T≳500 K) and temperature differences (ΔT≳500 K), the chains, with N>18 atoms, present a diffusive transport regime with the presence of a temperature gradient across the system. For lower temperatures (T≲500 K) and temperature differences (ΔT≲400 K), a regime similar to the ballistic regime is observed. Such a ballistic-like regime is also obtained for shorter chains (N≤15). Our detailed analysis suggests that the behaviour at higher temperatures and temperature differences is mainly due to anharmonic effects within the long chains.
Enhanced power factor and reduced Lorenz number in the Wiedemann–Franz law due to pudding mold type band structures
Authors: Usui Hidetomo , Kuroki Kazuhiko
Published: April 2017

We study the relationship between the shape of the electronic band structure and the thermoelectric properties. In order to study the band shape dependence of the thermoelectric properties generally, we first adopt models with band structures having the dispersion E(k)∼|k|n with n = 2, 4, and 6. We consider one-, two-, and three-dimensional systems and calculate the thermoelectric properties using the Boltzmann equation approach within the constant quasi-particle lifetime approximation. n = 2 corresponds to the usual parabolic band structure, while the band shape for n = 4 and 6 has a flat portion at the band edge, so that the density of states diverges at the bottom of the band. We call this kind of band structure the “pudding mold type band”. n ≥ 4 belong to the pudding mold type band, but since the density of states diverges even for n = 2 in the one dimensional system, this is also categorized as the pudding mold type. Due to the large density of states and the rapid change of the group velocity around the band edge, the spectral conductivity of the pudding mold type band structures becomes larger than that of the usual parabolic band structures. It is found that the pudding mold type band has a coexistence of a large Seebeck coefficient and a large electric conductivity and a small Lorenz number in the Wiedemann–Franz law due to the specific band shape. We also find that the low dimensionality of the band structure can contribute to large electronic conductivity and hence a small Lorenz number. We conclude that the pudding mold type band, especially in low dimensional systems, can enhance not only the power factor but also the dimensionless figure of merit due to stronger reduction of the Lorenz number.
Study of scattering cross section of a plasma column using Green's function volume integral equation method
Authors: Soltanmoradi Elmira , Shokri Babak
Published: April 2017

In this article, the electromagnetic wave scattering from plasma columns with inhomogeneous electron density distribution is studied by the Green's function volume integral equation method. Due to the ready production of such plasmas in the laboratories and their practical application in various technological fields, this study tries to find the effects of plasma parameters such as the electron density, radius, and pressure on the scattering cross-section of a plasma column. Moreover, the incident wave frequency influence of the scattering pattern is demonstrated. Furthermore, the scattering cross-section of a plasma column with an inhomogeneous collision frequency profile is calculated and the effect of this inhomogeneity is discussed first in this article. These results are especially used to determine the appropriate conditions for radar cross-section reduction purposes. It is shown that the radar cross-section of a plasma column reduces more for a larger collision frequency, for a relatively lower plasma frequency, and also for a smaller radius. Furthermore, it is found that the effect of the electron density on the scattering cross-section is more obvious in comparison with the effect of other plasma parameters. Also, the plasma column with homogenous collision frequency can be used as a better shielding in contrast to its inhomogeneous counterpart.
Stabilizing effects of enhanced resistivity due to lithium-conditioning on low-n edge localized modes in NSTX
Authors: Banerjee Debabrata , Zhu Ping , Maingi Rajesh
Published: April 2017

The stabilizing effects of enhanced edge resistivity on edge-localized instabilities in high confinement discharges due to lithium-conditioning in the National Spherical Torus Experiment are identified for the first time. Linear stability analysis of the experimentally constrained equilibrium suggests that the change in the equilibrium plasma density and pressure profiles alone due to lithium-conditioning may be insufficient for a complete suppression of low toroidal mode number peeling-ballooning modes. The enhanced resistivity due to the increased effective electric charge number Zeff after lithium-conditioning provides additional stabilization of the edge localized modes. Notably, this stabilizing effect by enhanced edge resistivity becomes evident only in two-fluid magnetohydrodynamic simulations.
Spin-polarized transport through a quantum ring with an embedded protein-like single-helical molecule
Authors: Wang Xiao , Wu Hai-Na , Gong Wei-Jiang
Published: April 2017

We investigate the spin-polarized electron transport through a quantum ring whose arms are embedded by one protein-like single-helical molecule and one quantum dot, respectively. It is found that the inter-arm quantum interference leads to the enhancement of the spin polarization in this structure. Moreover, when local magnetic flux is applied through the ring, the spin polarization in the electron transport process, including the polarization strength and direction, can be further adjusted. Next in the finite-bias case, the spin polarization is also apparent and can be tuned by changing the magnetic flux or the dot level. This work provides a new scheme to manipulate the spin transport based on the single-helical molecule.
Tunnel magnetoresistance of a molecular chain homo-catenated by group IV elements
Authors: Matsuura Yukihito
Published: April 2017

Spin conduction in a molecular chain homo-catenated by group IV elements is calculated using the first-principle density functional theory. In particular, the characteristics of the tunnel magnetoresistance (TMR) are remarked upon. The germanium and tin molecular chains, which have σ-conjugation in the main chain, exhibit relatively high TMR ratios and retain these values up to a bias voltage of 0.3 V. It is found that the considerable difference in TMR effects between the carbon molecule and the σ-conjugated molecular chain is dependent on the spin polarization of the linking group between the nickel electrode and the main chain. The σ-conjugated molecular chains would thus be suitable for application to TMR devices.
Precision measurement of electrical charges in an optomechanical system beyond linearized dynamics
Authors: Xiong Hao , Si Liu-Gang , Wu Ying
Published: April 2017

Nonlinear interactions between cavity fields and mechanical oscillation in an optomechanical system coupled to a charged object are treated analytically, and the features of second-order sideband generation are discussed, which is beyond the conventional linearized description of optomechanical interactions. We show that resonantly enhanced feedback-backaction arising from radiation pressure can be substantively modified in the presence of electric interactions, which results in tunable optical nonlinearity and convenient optomechanical control. Especially, the system exhibits a remarkable electrical-charge dependent generation of the frequency component at the second-order sideband, which enables a potentially practical scheme for precision measurement of charges.
Design and low-temperature characterization of a tunable microcavity for diamond-based quantum networks
Authors: Bogdanović Stefan , van Dam Suzanne B. , Bonato Cristian , Coenen Lisanne C. , Zwerver Anne-Marije J. , Hensen Bas , Liddy Madelaine S. Z. , Fink Thomas , Reiserer Andreas , Lončar Marko , Hanson Ronald
Published: April 2017

We report on the fabrication and characterization of a Fabry-Perot microcavity enclosing a thin diamond membrane at cryogenic temperatures. The cavity is designed to enhance resonant emission of single nitrogen-vacancy centers by allowing spectral and spatial tuning while preserving the optical properties observed in bulk diamond. We demonstrate cavity finesse at cryogenic temperatures within the range of F=4000–12 000 and find a sub-nanometer cavity stability. Modeling shows that coupling nitrogen-vacancy centers to these cavities could lead to an increase in remote entanglement success rates by three orders of magnitude.
Development of radio-frequency heating-assisted nanoimprint with PETG solution for nanostructure-based biosensors
Authors: Wu Tsung-Yeh , Hsu Hsuan-Yeh , Lee Kuang-Li , Yang Sen-Yeu , Wei Pei-Kuen
Published: April 2017

We present radio-frequency (RF) heating-assisted nanoimprint lithography (NIL) for the rapid fabrication of nanostructured biochips. The chips were spin-coated using a RF-sensitive polymer film, namely polyethylene terephthalate glycol-modified (PETG). The RF heating process takes advantage of rapid temperature increases and cooling for NIL. Using a patterned nickel film as the mold, various nanostructures, such as nanowire, nanorod, and nanogrid arrays, were successfully fabricated within several seconds. For surface plasmon biosensing chips, the silver-coated nanowire arrays achieved a linewidth of 6.01 nm and wavelength sensitivity of 550 nm per refractive index unit. The functionality of the sensor was verified by observing the label-free antigen–antibody interactions.
Pourquoi Requiem ?
Authors: Forest Philippe
Published: April 2017

Camus’s interest in stage adaptations and mainly the problem of evil as it is raised in Faulkner’s Requiem for a Nun tempted the French writer into adapting it for the stage. The reference found in this version to Dostoïevski’s Brothers Karamazov is not meant to assert a Christian faith, but on the contrary to grow away from it. Hence Camus keeps his distance with the part played by Nancy. His adaptation of the Requiem breaks away from the religious interpretations it has been submitted to, so in reality Camus moves along the same line taken by Faulkner, when he was re-writing his first version of the Requiem for a Nun, as Noël Polk has shown. So Faulkner has structured a modern tragedy. The revolt against destiny finally makes it possible to compare the Requiem to Les Justes, making it possible to read it in the light of L’Homme Révolté
Antecedents and consequences of work significance in Indian organizations
Authors: Aggarwal Yogita , Singh Sanjay
Published: April 2017

The purpose of the present study was to investigate the nature of work significance and identify its key antecedents and consequences in Indian organizations. Partial least squares modeling (N = 300 working Indian managers) confirmed the reliability and validity of the proposeda priorimodel. Furthermore, a mediation-moderation analysis suggested that work significance had a significant mediating influence between antecedent and consequent variables, and its influence was not moderated by the type of organization studied in the research. The applied values of the research along with its limitations and future directions are briefly discussed.
Hick’s law for choice reaction time: A review
Authors: Proctor Robert W , Schneider Darryl W
Published: April 2017

In 1952, W. E. Hick published an article in the Quarterly Journal of Experimental Psychology, “On the rate of gain of information.” It played a seminal role in the cognitive revolution and established one of the few widely acknowledged laws in psychology, relating choice reaction time to the number of stimulus–response alternatives (or amount of uncertainty) in a task. We review the historical context in which Hick conducted his study and describe his experiments and theoretical analyses. We discuss the article’s immediate impact on researchers, as well as challenges to and shortcomings of Hick’s law and his analysis, including effects of stimulus–response compatibility, practice, very large set sizes and sequential dependencies. Contemporary modeling developments are also described in detail. Perhaps most impressive about Hick’s law is that it continues to spawn research efforts to the present and that it is regarded as a fundamental law of interface design for human–computer interaction using technologies that did not exist at the time of Hick’s research.
On preparing for the great gift of community that climate disasters can give us
Authors: Read Rupert
Published: April 2017

There is a widespread (if rarely voiced) assumption, among those who dare to understand the futurewhich climate chaos is likely to yield, that civility will give way and a Hobbesian war of all against all will be unleashed. Thankfully, this assumption is highly questionable. The field of ‘Disaster Studies’, as shown in Rebecca Solnit's A Paradise Built in Hell, makes clear that it is at least as likely that, tested in the crucible of backto- back disasters, humanity will rise to the challenge, and we will find ourselves manifesting a truer humanity than we currently think ourselves to have. Thus the post-sustainability world will offer us a tremendous gift amidst the carnage. But how well we realise this gift depends on our preparing the way for it. In order to prepare, the fantasy of sustainable development needs to be jettisoned, along with the bargain-making mentality underpinning it. Instead, the inter-personal virtues of generosity, fraternity and care-taking need fostering. One role a philosophically informed deep reframing can play in this process of virtuous preparation for disaster is in helping people to understand that, in order to care for their children, they need to care for their children in turn, and so on, ad infinitum.
New possibilities using additive manufacturing with materials that are difficult to process and with complex structures
Authors: Olsson Anders , Hellsing Maja S , Rennie Adrian R
Published: April 2017

Additive manufacturing (or 3D printing) opens the possibility of creating new designs and manufacturing objects with new materials rapidly and economically. Particularly for use with polymers and polymer composites, simple printers can make high quality products, and these can be produced easily in offices, schools and in workshops and laboratories. This technology has opened a route for many to test ideas or to make custom devices. It is possible to easily manufacture complex geometries that would be difficult or even impossible to create with traditional methods. Naturally this technology has attracted attention in many fields that include the production of medical devices and prostheses, mechanical engineering as well as basic sciences. Materials that are highly problematic to machine can be used. We illustrate process developments with an account of the production of printer parts to cope with polymer fillers that are hard and abrasive; new nozzles with ruby inserts designed for such materials are durable and can be used to print boron carbide composites. As with other materials, complex parts can be printed using boron carbide composites with fine structures, such as screw threads and labels to identify materials. General ideas about design for this new era of manufacturing customised parts are presented.
TITER: predicting translation initiation sites by deep learning
Authors: Zhang Sai , Hu Hailin , Jiang Tao , Zhang Lei , Zeng Jianyang
Published: April 2017

Motivation

Translation initiation is a key step in the regulation of gene expression. In addition to the annotated translation initiation sites (TISs), the translation process may also start at multiple alternative TISs (including both AUG and non-AUG codons), which makes it challenging to predict TISs and study the underlying regulatory mechanisms. Meanwhile, the advent of several high-throughput sequencing techniques for profiling initiating ribosomes at single-nucleotide resolution, e.g. GTI-seq and QTI-seq, provides abundant data for systematically studying the general principles of translation initiation and the development of computational method for TIS identification.

Methods

We have developed a deep learning-based framework, named TITER, for accurately predicting TISs on a genome-wide scale based on QTI-seq data. TITER extracts the sequence features of translation initiation from the surrounding sequence contexts of TISs using a hybrid neural network and further integrates the prior preference of TIS codon composition into a unified prediction framework.

Results

Extensive tests demonstrated that TITER can greatly outperform the state-of-the-art prediction methods in identifying TISs. In addition, TITER was able to identify important sequence signatures for individual types of TIS codons, including a Kozak-sequence-like motif for AUG start codon. Furthermore, the TITER prediction score can be related to the strength of translation initiation in various biological scenarios, including the repressive effect of the upstream open reading frames on gene expression and the mutational effects influencing translation initiation efficiency.

Availability and Implementation

TITER is available as an open-source software and can be downloaded from https://github.com/zhangsaithu/titer.

Supplementary information

Supplementary data are available at Bioinformatics online.