bluuebunny/crossref_metadata_2025 huggingface dataset:
Alternativpsychose und forcierte Normalisierung durch Antiepileptika unter besonderer Berücksichtigung der neuen Antiepileptika
Authors: Fröscher Walter , Steinert Tilman
Published: February 2019

Bei der Alternativpsychose und der forcierten Normalisierung alternieren Perioden von epileptischen Anfällen bei normalem Verhalten mit Perioden von Anfallsfreiheit (oder wesentlicher Anfallsreduktion) mit gleichzeitigem Bestehen einer Psychose oder anderen psychischen Störungen. Anders als die klinisch definierte Alternativpsychose geht die forcierte Normalisierung vom EEG-Befund aus. In der klinischen Praxis und in der Literatur werden die beiden Begriffe meist synonym gebraucht und beschreiben auch die gleichen Krankheitsbilder. Dies erlaubte eine zusammenfassende Auswertung der Publikationen über Alternativpsychose und forcierte Normalisierung. Meist ist eine Alternativpsychose oder eine forcierte Normalisierung Folge der Anfallsunterdrückung durch Antiepileptika. In der Zeit der älteren Antiepileptika wurde eine Alternativpsychose bzw. eine forcierte Normalisierung vor allem bei der Behandlung von Absencen mit Succinimiden beobachtet. In der Ära der neuen Antiepileptika, die mit der Einführung von Vigabatrin begann, waren vor allem Patienten mit relativ pharmakoresistenten fokalen Epilepsien betroffen. 1987 - vor 31 Jahren - wurde erstmals über eine paranoid-halluzinatorische Psychose bei Epilepsie durch die Behandlung mit Vigabatrin berichtet. Sukzessive folgten bis heute bei den meisten neuen Antiepileptika Berichte über eine Alternativpsychose bzw. eine forcierte Normalisierung. Eine umfassende Literatursuche ergab in diesem Zeitraum 66 Fälle mit detaillierten Angaben. Frauen waren mehr als doppelt so häufig betroffen wie Männer; der Grund ist nicht klar. In 4 retrospektiven Studien wurden weitere 176 alternative Ereignisse in pauschalerer Form mitgeteilt. Bei den wichtigeren neuen Antiepileptika scheint das Risiko einer Alternativpsychose oder einer forcierten Normalisierung bei Oxcarbazepin, Eslicarbazepin, Gabapentin und Pregabalin besonders gering zu sein.
Wissen und Einstellungen über die saisonale Influenza-Impfung von Hebammenschülerinnen in Nordrhein-Westfalen: Ergebnisse einer Querschnittsstudie
Authors: Westhofen Johannes , Puth Marie-Therese , Steudel Henrike , Münster Eva , Weckbecker Klaus
Published: February 2019

Zielsetzung Erstmalig für Deutschland wurden Einstellungen und Wissensstand von Hebammenschülerinnen bezüglich Impfungen im Allgemeinen, sowie der Influenza-Impfung im Speziellen erfasst.

Methodik Im Rahmen einer Querschnittsstudie wurde zwischen Mai und Juli 2017 eine standardisierte schriftliche Befragung aller Hebammenschülerinnen in Nordrhein-Westfalen durchgeführt. Die Ergebnisse wurden sowohl durch Häufigkeitsanalysen, als auch mittels multipler, logistischer Regression ausgewertet.

Ergebnisse Alle 10 Hebammenschulen in Nordrhein-Westfalen nahmen an der Befragung teil und Fragebögen von 315 Hebammenschülerinnen (Teilnahmerate: 95,7%) konnten ausgewertet werden. Die Effektivität der Impfung gegen saisonale Influenza schätzten 77,8% der Befragten falsch ein, mögliche Nebenwirkungen wurden nur von 35,2% der Befragten korrekt eingeschätzt. Von der Sicherheit einer Impfung während der Schwangerschaft waren 56,2% der Befragten nicht überzeugt. Faktoren, die ein erhöhtes Risiko eines nicht ausreichenden Wissensstands bezüglich Influenza-Impfung bieten, sind ein Lebensalter zwischen 22 und 25 Jahren (adjustiertes Odds ratio (aOR) 1,99 95%-Konfidenzintervall (KI) 1,12–3,52) im Vergleich zu Jüngeren (18–21 Jahre), eine fehlerhafte Einschätzung des Übertragungsrisikos (aOR 3,68 95%-KI 1,85–7,29) sowie ein nicht ausreichendes Wissen über die Influenza-Erkrankung (aOR 1,78 95%-KI 1,04–3,06). Im Gegensatz hierzu zeigten 76,8% der Befragten eine positive Einstellung gegenüber Impfungen im Allgemeinen, 73,3% der Befragten beklagten eine zu geringe Information der Öffentlichkeit über Impfkomplikationen.

Schlussfolgerung Das unzureichende Wissen der Hebammenschülerinnen bezüglich der saisonalen Influenza-Impfung steht einer Erhöhung des Impfschutzes von Hebammen, Schwangeren und somit auch dem Schutz von Neugeborenen entgegen. Aufklärungskampagnen in den Ausbildungsgängen, sowie eine Analyse und Anpassung der Unterrichtsinhalte mit wissenschaftlich validierten Erkenntnissen, erscheinen notwendig. Ferner sollten die Ergebnisse Anlass vorrangig für Betriebsmediziner, Hausärzte und Gynäkologen sein, um Personal in der Hebammenausbildung bzw. -beruf intensiver bezüglich saisonaler Influenza-Impfung zu beraten.
The Learning Curve and Pitfalls of Arthroscopic Four-Corner Arthrodesis
Authors: Vihanto Aleksi , Kotkansalo Tero , Pääkkönen Markus
Published: February 2019

Background Midcarpal “four-corner” wrist arthrodesis may be done from an open arthrotomy or arthroscopically.

Purpose This study aimed to examine the results of the recently described arthroscopic four-corner arthrodesis and whether the procedure seems to have any merit compared with the open technique.

Patients and Methods We retrospectively identified eight patients with nine cases of arthroscopic four-corner arthrodesis performed at our institution, 2014 to 2017. The underlying pathologies were scapholunate advanced collapse (n = 6), Preiser's disease (n = 1), radioscaphoid (n = 1), or capitolunar (n = 1) osteoarthritis. Osteosynthesis was done with cannulated compression screws.

Results Operating time for the first surgery was 198 minutes while the final one lasted 132 minutes. All patients achieved fusion. Three patients required a reoperation; one for screw malposition with screw removal, one for tendon reconstruction and screw removal due to a tendon injury induced by a retracted screw, and one for scaphoid impingement with removal of the scaphoid remnants. One patient experienced a probable superficial radial nerve injury. The follow-up time was 5 to 16 months.

Conclusion The arthroscopic approach is technically extremely demanding and has a learning curve. Thorough resection of the scaphoid is recommended to avoid potential impingement.

Level of Evidence This is a level IV, retrospective case series.
Constipation as a Rare Cause of Ventriculoperitoneal Shunt Dysfunction: A Case Report
Authors: Mete Mesut , Selçuki Mehmet
Published: February 2019

Ventriculoperitoneal shunt (VPS) insertion is a common neurosurgical procedure for the treatment of hydrocephalus. Constipation can play an important role in shunt failure either by mechanically blocking drainage from the peritoneal end of the VPS catheter or by increasing intra-abdominal pressure. The present report describes a 2-year-old boy with shunt-dependent hydrocephalus who presented with signs of shunt dysfunction. Medical history with detailed physical examination determined the constipation. Before shunt revision, a pediatric fleet enema was administered to possibly relieve the constipation and he had good evacuation of the bowel contents. Following the enema, his continuous crying resolved and ultimately disappeared within a few hours. Brain computed tomography scans performed 4 days later showed a reduction in ventricular size.
New insight into printable europium-doped yttrium borate luminescent pigment for security ink applications
Authors: Gangwar Amit Kumar , Nagpal Kanika , Kumar Pawan , Singh Nidhi , Gupta Bipin Kumar
Published: February 2019

Counterfeiting is a major current concern throughout the world, and recent technological advances have made counterfeiting of sophisticated products easy. It is therefore essential to develop further means to combat counterfeiting, including the use of new luminescent materials for security inks. Here, we report the synthesis by a sol–gel technique of a highly luminescent YBO3:Eu3+ phosphor, which can be scaled up to 1 kg amounts in single batches. This phosphor is both structurally and chemically stable and has a particle size of 110 ± 10 nm. It emits strongly at a wavelength of 591 nm (orange–red) upon excitation at a wavelength of 245 nm and is also excitable by wavelengths in the 280–480 nm range. The structural and microstructural characteristics and the photoluminescence behavior of the phosphor were characterized by SEM, TEM/HRTEM, and fluorescent spectroscopy, respectively. The phosphor was used with a commercially available PVC gold medium to produce a luminescent security ink for printing security codes, and the results were investigated by photoluminescence mapping instruments. TheYBO3: Eu3+ phosphor-based security ink described here provides a low-cost material for use in printing security codes that are easy to detect but difficult to counterfeit.
Non-orthogonal multi-Slater determinant expansions in auxiliary field quantum Monte Carlo
Authors: Landinez Borda Edgar Josué , Gomez John , Morales Miguel A.
Published: February 2019

We investigate the use of non-orthogonal multi-Slater determinant (NOMSD) expansions as trial wavefunctions in auxiliary field quantum Monte Carlo simulations of molecular systems. We show that NOMSD trial wavefunctions with as few as twenty determinants are sufficient in order to achieve chemical accuracy across most of the G1 molecular test set. We also show that NOMSD trial wavefunctions are useful for more challenging strongly correlated systems by computing relative energies along the isomerization path of the [Cu2O2]2+ molecule. Our results for [Cu2O2]2+ compare favorably with other accurate quantum many-body methods, including density matrix renormalization group and completely renormalized coupled cluster methods.
Cooperative effects of strain and electron correlation in epitaxial VO2 and NbO2
Authors: Lee Wei-Cheng , Wahila Matthew J. , Mukherjee Shantanu , Singh Christopher N. , Eustance Tyler , Regoutz Anna , Paik H. , Boschker Jos E. , Rodolakis Fanny , Lee Tien-Lin , Schlom D. G. , Piper Louis F. J.
Published: February 2019

We investigate the electronic structure of epitaxial VO2 films in the rutile phase using density functional theory combined with the slave-spin method (DFT + SS). In DFT + SS, multi-orbital Hubbard interactions are added to a DFT-fit tight-binding model, and slave spins are used to treat electron correlations. We find that while stretching the system along the rutile c-axis results in a band structure favoring anisotropic orbital fillings, electron correlations favor equal filling of the t2g orbitals. These two distinct effects cooperatively induce an orbital-dependent redistribution of the electron occupations and spectral weights, driving strained VO2 toward an orbital selective Mott transition (OSMT). The simulated single-particle spectral functions are directly compared to V L-edge resonant X-ray photoemission spectroscopy of epitaxial 10 nm VO2/TiO2 (001) and (100) strain orientations. Excellent agreement is observed between the simulations and experimental data regarding the strain-induced evolution of the lower Hubbard band. Simulations of rutile NbO2 under similar strain conditions are performed, and we predict that an OSMT will not occur in rutile NbO2. Our prediction is supported by the high-temperature hard x-ray photoelectron spectroscopy measurement on relaxed NbO2 (110) thin films with no trace of the lower Hubbard band. Our results indicate that electron correlations in VO2 are important and can be modulated even in the rutile phase before the Peierls instability sets in.
Stochastic resonance and bifurcations in a harmonically driven tri-stable potential with colored noise
Authors: Zhang Yanxia , Jin Yanfei , Xu Pengfei
Published: February 2019

Stochastic resonance (SR) and stochastic bifurcations are investigated numerically in a nonlinear tri-stable system driven by colored noise and a harmonic excitation. The power spectral density, signal-to-noise ratio, stationary probability density (SPD), and largest Lyapunov exponent (LLE) are calculated to quantify SR, P-bifurcation, and D-bifurcation, respectively. The effects of system parameters, such as noise intensity and correlation time, well-depth ratio, and damping coefficient, on SR and stochastic bifurcations are explored. Numerical results show that both noise-induced suppression and SR can be observed in this system. The SPD changes from bimodal to trimodal and then to the unimodal structure by choosing well-depth ratio, correlation time, and noise intensity as bifurcation parameters, which shows the occurrence of stochastic P-bifurcation. The stochastic D-bifurcation is found through the calculation of LLE. Moreover, the relationship between SR and stochastic bifurcation is explored thoroughly. It indicates that the optimal SR occurs near D-bifurcation and can be realized with weak chaos by adjusting the proper parameters. Finally, the tri-stable energy harvester is chosen as an example to show the improvement of the system performance by exploiting SR and stochastic bifurcations.
Phase transitions in fluctuations and their role in two-step nucleation
Authors: James Daniella , Beairsto Seamus , Hartt Carmen , Zavalov Oleksandr , Saika-Voivod Ivan , Bowles Richard K. , Poole Peter H.
Published: February 2019

We consider the thermodynamic behavior of local fluctuations occurring in a stable or metastable bulk phase. For a system with three or more phases, we present a simple analysis based on classical nucleation theory that predicts thermodynamic conditions at which small fluctuations resemble the phase having the lowest surface tension with the surrounding bulk phase, even if this phase does not have a lower chemical potential. We also identify the conditions at which a fluctuation may convert to a different phase as its size increases, referred to here as a “fluctuation phase transition” (FPT). We demonstrate these phenomena in simulations of a two dimensional lattice model by evaluating the free energy surface that describes the thermodynamic properties of a fluctuation as a function of its size and phase composition. We show that a FPT can occur in the fluctuations of either a stable or metastable bulk phase and that the transition is first-order. We also find that the FPT is bracketed by well-defined spinodals, which place limits on the size of fluctuations of distinct phases. Furthermore, when the FPT occurs in a metastable bulk phase, we show that the superposition of the FPT on the nucleation process results in two-step nucleation (TSN). We identify distinct regimes of TSN based on the nucleation pathway in the free energy surface and correlate these regimes to the phase diagram of the bulk system. Our results clarify the origin of TSN and elucidate a wide variety of phenomena associated with TSN, including the Ostwald step rule.
Bench test of phase measurement on dispersion interferometer for EAST
Authors: Li W. M. , Liu H. Q. , Zeng L. , Wang S. X. , Lian H. , Yang Y. , Wei X. C. , Zhang Y. , Li M. G.
Published: February 2019

In recent years, different traditional interferometers have been the necessary diagnostic of electronic density measurement on fusion devices. Until now, two main problems always influence the density measurement: the mechanical vibration and fringe jump in the calculation. The dispersion interferometer (DI) with a long-wavelength infrared wavelength is a good choice because mechanical vibrations can be canceled and the fringe jump can be inhibited. This paper describes the bench test of phase measurement using a wedge instead of plasma on the DI. The results show good agreement with the theoretical calculations. In the background measurement, this DI without a vibration isolation system has good performance, and the drift of the baseline is less than 2 × 1017 m−2 in 3 s and less than 5 × 1017 m−2 in 400 s. Plasma data will be obtained during the next campaign on EAST (Experimental and Advanced Superconducting Tokamak).
Probe assisted localized doping of aluminum into silicon substrates
Authors: Ahn Jung-Joon , Solares Santiago D. , You Lin , Noh Hanaul , Kopanski Joseph , Obeng Yaw
Published: February 2019

Precise control of dopant placement is crucial for the reproducible, and reliable, nanoscale semiconductor device fabrication. In this paper, we demonstrate an atomic force microscopy (AFM) probe assisted localized doping of aluminum into an n-type silicon (100) wafer to generate nanoscale counter-doped junctions within two nanometers of the silicon-air interface. The local doping results in changes in electrostatic potential, which are reported as contact potential difference, with nanoscale spatial resolution. In contrast to the literature where nano-mechanical defects in, or contaminants on, silicon substrates can result in measurable changes in the chemical potential of the near-surface, additional thermal treatment was needed to electrically activate the aluminum dopants in our current work. Unfortunately, the thermal activation step also caused the dopants to diffuse and geometric distortions in the doped area, i.e., broadening and blurring of the electrically distinct areas. The results from optimization efforts show that the “active” dopant concentration depended primarily on the thermal anneal temperature; additional AFM-tip dwell time during the aluminum implantation step had no meaningful impact on the electrical activity of the doped sites.
Calculation of the band structure, carrier effective mass, and the optical absorption properties of GaSbBi alloys
Authors: Das Subhasis , Bhowal M. K. , Dhar S.
Published: February 2019

The details of the electronic band structure of GaSbBi as functions of Bi mole fraction and along different symmetry directions of the crystal are calculated using a 14 band k.p model considering the band anti-crossing interaction between the valence band of the host III-V material and the Bi related impurity level resonant with the host. The effect of the lattice strain on the band structure as a result of incorporating a higher amount of Bi in the material is also studied. Variations of the bandgap energy, spin orbit split-off energy, band offsets, and the different sub-band energies are presented as functions of Bi content in GaSbBi as well as along the three symmetric k directions. Effective mass of the charge carriers and their dependence on Bi content is investigated. Furthermore, the intrinsic carrier concentration of the material as a function of Bi composition is evaluated. Finally, the optical absorption in the material is investigated considering the electronic transitions involving various valence sub bands and the conduction band.
Experimental studies on the upward flow characteristics of high-pressure gas and water in small-diameter vertical pipes
Authors: Sun Yang , Xu Zhenyang , Wang Chongxiao , Fan Yawen , Lin Xinran
Published: February 2019

Considering the new applications of high-pressure gas pumps in practical engineering, the gas-liquid two-phase flow in small-diameter vertical pipes of the system in this study was tested. The gas volumetric flow rate, water volumetric flow rate, and working efficiency at different submergence height, pressure, and head values were measured. The results revealed that the pressure of high-pressure gas determines the gas consumption of the device and that a linear relationship exists between them. The void fraction of the vertical pipe effectively reflects the mixing of gas and water and affects the pumping capacity of the system. The water volumetric flow rate and working efficiency of the system reach their maximum values simultaneously when the void fraction reaches β0, which is a fixed value. A smaller diameter of the gas inlet pipe d enables the pump water efficiency to reach its peak at a lower pressure. We also present an optimization scheme for the selection of the diameter of vertical pipe D. These findings help facilitate a better understanding of the mechanism of the phase distribution and the interaction of the gas-water phases with each other in small-diameter vertical pipes and provide the basis for experiments to further improve the device performance.
Probing nanoscale defects and wrinkles in MoS2 by tip-enhanced Raman spectroscopic imaging
Authors: Kato Ryo , Umakoshi Takayuki , Sam Rhea Thankam , Verma Prabhat
Published: February 2019

Nanoscale inhomogeneities, such as defects and wrinkles, in atomic layers of transition-metal dichalcogenide (TMDC) semiconductor materials deteriorate the remarkable physical and optoelectronic properties of these materials, precluding their use in optoelectronic devices. Such inhomogeneities can be investigated using vibrational spectroscopic analysis methods, such as Raman spectroscopy, because the deformations in a sample could be identified by the changes in the Raman vibrational energies of the sample. However, it has been challenging to characterize structures localized on the nanoscale in TMDC layers, because such characterization requires a nanoscale high spatial resolution. Here, we present tip-enhanced Raman spectroscopy (TERS) of molybdenum disulfide (MoS2) in the form of monolayers and a few layers to investigate nanoscale inhomogeneities. TERS enables Raman analysis with the nanoscale spatial resolution, using the near-field light generated at a metallic nano-tip through plasmon resonance. TERS imaging, which demonstrates spatially varying Raman spectral features on the nanoscale, allows one to elucidate the existence of nanoscale inhomogeneities. Using this method, defects and wrinkles within MoS2 layers were characterized with a spatial resolution better than 20 nm. This study provides important insights into unique optical and electronic properties of TMDCs for the development of future optoelectronic devices.
Nanotriangle-based gap-enhanced Raman tags for bioimaging and photothermal therapy
Authors: Jin Xiulong , He Jing , Ye Jian
Published: February 2019

Surface-enhanced Raman scattering (SERS) nanoparticles can be utilized as optical labeling nanoprobes for bioimaging with advantages of the fingerprint vibrational signal as a unique optical code and the ultra-narrow linewidth for multiplexing. As a new type of SERS nanoprobes, gap-enhanced Raman tags (GERTs) developed recently can overcome the common issues of poor photostability and limited Raman enhancement. In this work, we have constructed bright nanotriangle-based GERTs (NT-GERTs) for combined SERS bioimaging and photothermal therapy. With optimized Au shell morphology and thickness, NT-GERTs possess 20 folds brighter SERS signal and a more efficient photothermal effect compared to conventional nanosphere-based GERTs. These NT-GERTs show great potential for intraoperative SERS bioimaging guided photothermal therapy of cancers.
A first-principles study of doped black phosphorus carbide monolayers as NO2 and NH3 sensors
Authors: Zhang Jing , Yang Gui , Yuan Di , Tian Junlong , Ma Dongwei
Published: February 2019

First-principles calculations have been carried out to investigate the possibility of B-, N-, Si-, and S-doped black phosphorus carbide monolayers (B-, N-, Si-, and S-bPCs) as efficient gas sensors to detect and eliminate toxic gas molecules such as NO2 and NH3. The influence of O2 and H2O has also been considered. It is found that O2, H2O, NO2, and NH3 are all physisorbed on N- and S-bPCs. Nevertheless, the moderate adsorption energy and large charge transfer of NO2 on N-bPC indicate that N-bPC is more suitable to detect NO2. The chemisorption is observed when NO2 and NH3 are adsorbed on B-bPC, and O2, NO2, and NH3 on Si-bPC, by which highly enhanced sensitivity toward these molecules can be realized. Due to the strong adsorption, B- and Si-bPCs can be used to detect and filter NO2 and NH3 at different working temperatures. The work function has been calculated to further interpret the adsorption mechanism. It increases with B and Si dopants and decreases with N and S dopants. The adsorption of molecules leads to different variations of the work function, which is correlated with the direction of charge transfer. Our theoretical investigations help us better understand the mechanism of bPC as a NO2 and NH3 gas sensor and provide a facile method to broaden its application in industrial, medical, and environmental monitoring.
Electrowetting of a nano-suspension on a soft solid
Authors: Kumar Sumit , Kumar Pawan , DasGupta Sunando , Chakraborty Suman
Published: February 2019

The wetting of solid surfaces can be manoeuvered by altering the energy balance in the interfacial region. While the electric field acts favourably to spread a droplet on a rigid surface, this tendency may be significantly suppressed over soft surfaces, considering a part of the interfacial energy being utilized to deform the solid elastically by capillary forces. Here, we present a unique mechanism, by virtue of which the addition of nano-particles to the droplet causes a favourable recovery of the electro-spreading characteristics of a soft surface, by realizing an alteration in the effective dielectric constant of the interfacial region. Our experiments further demonstrate that this mechanism ceases to be operative beyond a threshold volume fraction of the particle suspension, due to inevitable contact line pinning. We also develop a theory to explain our experimental observations. Our findings provide a non-contact mechanism for meniscus spreading and droplet control, bearing far-reaching implications in biology and engineering.
A simplified axisymmetric lattice Boltzmann method for incompressible swirling and rotating flows
Authors: Chen Z. , Shu C. , Zhang L. Q.
Published: February 2019

A simplified axisymmetric lattice Boltzmann method (SALBM) is developed in this paper for effective simulation of incompressible swirling and rotating flows. This model explores an alternative approach of reconstructing an axisymmetric model within the lattice Boltzmann (LB) framework. Essentially, SALBM reconstructs solutions to the macroscopic governing equations recovered from the axisymmetric LB equation through the Chapman-Enskog expansion analysis. Two variations of schemes, which bear different orders of temporal accuracy and are, respectively, suitable for the steady and the unsteady axisymmetric flow problems, can be evolved from SALBM. The proposed schemes reflect direct evolution of macroscopic variables instead of distribution functions, which could reduce the cost in virtual memory. Meanwhile, analytical interpretation of physical boundary conditions is available in SALBM which avoids tedious transformations as required in conventional LB models. Numerical tests further reveal that SALBM performs better than the existing axisymmetric LB models in numerical stability. These merits endow the present SALBM with advantages over previous models and forge its prospect in engineering applications.
Vertical valence ionization potential benchmarks from equation-of-motion coupled cluster theory and QTP functionals
Authors: Ranasinghe Duminda S. , Margraf Johannes T. , Perera Ajith , Bartlett Rodney J.
Published: February 2019

The ionization potential (IP) of a molecule quantifies the energy required to remove an electron from the system. As such, it is a fundamental quantity in the context of redox chemistry, charge transfer, and molecular electronics. The accurate theoretical prediction of this property is therefore highly desirable for virtual materials design. Furthermore, vertical IPs are of interest in the development of many-body Green’s function methods like the GW formalism, as well as density functionals and semiempirical methods. In this contribution, we report over 1468 vertical valence IPs calculated with the IP variant of equation-of-motion coupled cluster theory with singles and doubles (IP-EOM-CCSD) covering 155 molecules. The purpose of this is two-fold: First, the quality of the predicted IPs is compared with respect to experiments and higher-order coupled cluster theory. This confirms the overall high accuracy and robustness of this method, with some outliers which are discussed in detail. Second, a large set of consistent theoretical reference values for vertical valence IPs are generated. This addresses a lack of reliable reference data for lower-lying valence IPs, where experimental data are often unavailable or of dubious quality. The benchmark set is then used to assess the quality of the eigenvalues predicted by different density functional approximations (via Bartlett’s IP-eigenvalue theorem) and the extended Koopmans’ theorem approach. The QTP family of functionals are found to be remarkably accurate, low-cost alternatives to IP-EOM-CCSD.
Rediscover δ5 boron sheet: Interaction with Ni substrate and MoS2 monolayer
Authors: Shao Li , Duan Xiangyang , Li Yan , Yuan Qingxin , Du Yinxiao , Zeng Fanguang , Gao Bo , Ye Honggang , Ding Pei
Published: February 2019

By using the particle swarm optimization algorithm combined with first-principles methods, we report the prediction of a stable structure of two-dimensional (2D) boron monolayer (δ5 sheet) with P6/M space group and 6 atoms in the unit cell that can be grown on a Ni (111) surface. The metallic nature of the δ5 sheet is proved by the calculated band structure and density of states. Its dynamical and thermal stabilities are confirmed by the phonon spectrum and ab initio molecular dynamics simulation. We find that the Ni substrate stabilizes the δ5 sheet by the electron transfer between them and chemical hybridization at the B-Ni interface. The properties of both δ5 sheet and MoS2 monolayer are preserved in the combined heterostructure, indicating that the δ5 sheet can be used as an electrode material for future nanodevices.
Formation of icosahedron twins during initial stages of heteroepitaxial diamond nucleation and growth
Authors: Lebedev Vadim , Yoshikawa Taro , Giese Christian , Kirste Lutz , Žukauskaitė Agnė , Graff Andreas , Meyer Frank , Burmeister Frank , Ambacher Oliver
Published: February 2019

Heteroepitaxy of diamond on single-crystalline iridium via bias enhanced nucleation remains the most successful, and simultaneously, the most unexplored crystallization process developed for fabrication of wafer-scale thin films and free-standing substrates. Unique conditions provided by nucleation and growth from “soft-implanted” carbon clusters cause the formation of three-dimensional crystallographic irregularities, which take the form of various polyhedrons, also known as multiply twinned particles (MTPs). It is shown here that the diamond MTPs retain a thermodynamically stable structure on the micrometer-scale and can be controllably reproduced using specific nucleation and growth conditions. Particular crystallization mechanisms leading to the formation of icosahedron twins and completed icosahedrons in thin diamond epilayers are discussed, and the experimental findings are supported by a phenomenological model based on thermodynamic and kinetic concepts.
Acoustic focusing to the waveguides utilizing double parabolic reflectors
Authors: Chen Kang , Irie Takasuke , Iijima Takashi , Morita Takeshi
Published: February 2019

Ultrasound imaging transducers possess serious trade-off design in performances between the penetration depth and the imaging resolution, which loses detection accuracy of diseases in large and deep-depth organs. To ease this problem, this study combines a piezoelectric transducer with the waveguide technique to realize invasive imaging. However, conventional configurations with waveguides suffer from low input energy or low energy transmission efficiency, thus leading to the proposal of the double-parabolic-reflector focusing and guiding mechanism to achieve high power transmission. In this letter, three different physical configurations of waveguides for ultrasound propagation are compared in terms of acoustic pressure, power, and propagation modes. The proposed mechanism with double parabolic reflectors enhances the acoustic pressure at the tip of the cylindrical waveguide to over 17 times compared to the conventional mechanism and increases the total power flow to around 213 times. Due to the superior performances in powerful ultrasound transmission, the proposal is expected to widen the applications in ultrasound imaging, ultrasound therapeutics, and ultrasound microscopy.
Electromagnetic energy rotation along plasma-metal interface in cylindrical waveguides initiated by azimuthal surface waves
Authors: Girka Igor O. , Pavlenko Ivan V. , Thumm Manfred
Published: February 2019

Energy transfer along finite curvature plasma-metal interfaces in cylindrical metallic waveguides entirely filled by magnetoactive plasma is studied. Angular phase velocity, angular velocity of energy transfer, and angular group velocity are introduced and analyzed as functions of the waveguide parameters: radius, plasma particle density, azimuthal wave number, and external static axial magnetic field.
How an Indigenous community responded to the incursion and spread of myrtle rust (Austropuccinia psidii) that threatens culturally significant plant species – a case study from New Zealand
Authors: Black Amanda , Mark-Shadbolt Melanie , Garner Gary , Green Jenny , Malcolm Tame , Marsh Alby , Ropata Hone , Waipara Nick , Wood Waitangi
Published: February 2019

The incursion of the myrtle rust disease (Austropuccinia psidii) was officially confirmed on 3 May 2017 at a plant nursery located in Kerikeri, North Island, New Zealand. Since then the presence of myrtle rust has now been located throughout New Zealand, with additional outbreaks in Taranaki, Waikato and Bay of Plenty. It has been detected on a range of Myrtaceaea species including ramarama (Lophomyrtus bullata), pōhutukawa (Metrosideros excelsa), Monkey apple (Syzygium smithii), mānuka (Leptospermum scoparium), and Eucalyptus spp. (E. botryoides). Many of these species are iconic to the Indigenous Māori and have historical significance, being taonga (treasures). Since the incursions, Te Tira Whakamātaki (National Māori Biosecurity Network), have been informing Māori communities throughout New Zealand about the potential impacts of myrtle rust via a series of regional meetings (hui), email and social media that have included brief reports and recommendations. Feedback from these meetings and social media has strongly highlighted the desires of Māori communities to be active participants in decision-making and response plans for the management of myrtle rust as well as other pests and diseases. In this paper, we describe the journey of an Indigenous community approach to a modern biosecurity incursion.
Conservation agriculture effects on soil properties and crop productivity in a semiarid region of India
Authors: Somasundaram J. , Salikram M. , Sinha N. K. , Mohanty M. , Chaudhary R. S. , Dalal R. C. , Mitra N. G. , Blaise D. , Coumar M. V. , Hati K. M. , Thakur J. K. , Neenu S. , Biswas A. K. , Patra A. K. , Chaudhari S. K.
Published: February 2019

Conservation agriculture (CA) including reduced or no-tillage and crop residue retention, is known to be a self–sustainable system as well as an alternative to residue burning. The present study evaluated the effect of reduced tillage coupled with residue retention under different cropping systems on soil properties and crop yields in a Vertisol of a semiarid region of central India. Two tillage systems – conventional tillage (CT) with residue removed, and reduced tillage (RT) with residue retained – and six major cropping systems of this region were examined after 3 years of experimentation. Results demonstrated that soil moisture content, mean weight diameter, percent water stable aggregates (>0.25mm) for the 0–15cm soil layer were significantly (P<0.05) affected by tillage practices. Soil penetration resistance was significantly higher for RT than CT. Irrespective of soil depth, there was higher soil organic carbon (SOC) for RT than CT. The SOC fractions followed in the order: non-labile>moderately labile>less labile. At the 0–15cm depth, the contributions of moderately labile, less labile and non-labile C fractions to total organic C were 39.3%, 10.3% and 50.4% respectively in RT and corresponding values for CT were 38.9%, 11.7% and 49.4%. Significant differences in different C fractions were observed between RT and CT. Soil microbial biomass C concentration was significantly higher in RT than CT at 0–15cm depth. The maize–chickpea cropping system had significantly (P<0.05) higher soybean grain equivalent yield of 4.65 t ha–1 followed by soybean+pigeon pea (2:1) intercropping (3.50 t ha–1) and soybean–wheat cropping systems (2.97 t ha–1). Thus, CA practices could be sustainable management practices for improving soil health and crop yields of rainfed Vertisols in these semiarid regions.
Short- and long-term hydrologic controls on smouldering fire in wetland soils
Authors: Schulte Morgan L. , McLaughlin Daniel L. , Wurster Frederic C. , Varner J. Morgan , Stewart Ryan D. , Aust W. Mike , Jones C. Nathan , Gile Bridget
Published: February 2019

Smouldering fire vulnerability in organic-rich, wetland soils is regulated by hydrologic regimes over short (by antecedent wetness) and long (through influences on soil properties) timescales. An integrative understanding of these controls is needed to inform fire predictions and hydrologic management to reduce fire vulnerability. The Great Dismal Swamp, a drained peatland (Virginia and North Carolina, USA), recently experienced large wildfires, motivating hydrologic restoration efforts. To inform those efforts, we combined continuous water levels, soil properties, moisture holding capacity and smouldering probability at four sites along a hydrologic gradient. For each site, we estimated gravimetric soil moisture content associated with a 50% smouldering probability (soil moisture smoulder threshold) and the water tension required to create this moisture threshold (tension smoulder threshold). Soil properties influenced both thresholds. Soils with lower bulk density smouldered at higher moisture content but also had higher moisture holding capacity, indicating that higher tensions (e.g. deeper water tables) are required to reach smouldering thresholds. By combining thresholds with water level data, we assessed smouldering vulnerability over time, providing a framework to guide fire prediction and hydrologic restoration. This work is among the first to integrate soil moisture thresholds, moisture holding capacities and water level dynamics to explore spatiotemporal variation in smouldering fire vulnerability.
Fibroblast growth factor receptor influences primary cilium length through an interaction with intestinal cell kinase
Authors: Kunova Bosakova Michaela , Nita Alexandru , Gregor Tomas , Varecha Miroslav , Gudernova Iva , Fafilek Bohumil , Barta Tomas , Basheer Neha , Abraham Sara P. , Balek Lukas , Tomanova Marketa , Fialova Kucerova Jana , Bosak Juraj , Potesil David , Zieba Jennifer , Song Jieun , Konik Peter , Park Sohyun , Duran Ivan , Zdrahal Zbynek , Smajs David , Jansen Gert , Fu Zheng , Ko Hyuk Wan , Hampl Ales , Trantirek Lukas , Krakow Deborah , Krejci Pavel
Published: February 2019

Significance

A properly functioning primary cilium is prerequisite for both normal development and aging of all ciliated organisms, including humans. In vertebrates, the signaling of Hedgehog family morphogens depends entirely on primary cilium. Recently, we reported that fibroblast growth factors (FGF) signaling interacts with that of Hedgehog, and that this is a consequence of FGF regulating length of the cilium and speed of processes that happen therein. In this report, we provide a molecular mechanism of such interaction, identifying intestinal cell kinase as a mediator of the FGF-induced changes in the ciliary morphology and function. This expands our understanding how FGF signaling regulates intracellular processes, and how aberrant FGF signaling contributes to diseases, such as achondroplasia and cancer.
26S Proteasomes are rapidly activated by diverse hormones and physiological states that raise cAMP and cause Rpn6 phosphorylation
Authors: VerPlank Jordan J. S. , Lokireddy Sudarsanareddy , Zhao Jinghui , Goldberg Alfred L.
Published: February 2019

Significance

Most studies of proteolysis by the ubiquitin-proteasome pathway have focused on the regulation by ubiquitination. However, we showed that pharmacological agents that raise cAMP and activate protein kinase A by phosphorylating a proteasome subunit enhance proteasome activity and the cell’s capacity to selectively degrade misfolded and regulatory proteins. We investigated whether similar adaptations occur in physiological conditions where cAMP rises. Proteasome activity increases by this mechanism in human muscles following intense exercise, in mouse muscles and liver after a brief fast, in hepatocytes after epinephrine or glucagon, and renal collecting duct cells within 5 minutes of antidiuretic hormone. Thus, hormones and conditions that raise cAMP rapidly enhance proteasome activity and the cells’ capacity to eliminate damaged and preexistent regulatory proteins.
Form and function of F-actin during biomineralization revealed from live experiments on foraminifera
Authors: Tyszka Jarosław , Bickmeyer Ulf , Raitzsch Markus , Bijma Jelle , Kaczmarek Karina , Mewes Antje , Topa Paweł , Janse Max
Published: February 2019

Significance

Unicellular organisms form endless variability of complex skeletons that serve as archives of Earth’s history and play a crucial role in global geochemical cycles. A longstanding question is how single cells control morphogenesis and mineralization of skeletal structures. Although already addressed by Sir D’Arcy W. Thompson, this problem is still unsolved. Shell emerges from a controlled cascade of interactions at different levels of cellular organization. To gain insight into its morphogenesis, we apply live fluorescent imaging to observe cytoskeleton structures during shell formation in foraminifera. Our live experiments on calcifying foraminiferal chambers show that dynamic F-actin structures are involved in shaping and controlling mineralization.
Role of the striatum in incidental learning of sound categories
Authors: Lim Sung-Joo , Fiez Julie A. , Holt Lori L.
Published: February 2019

Significance

Humans are born as “universal listeners.” However, over the first year, infants’ perception is shaped by native speech categories. How do these categories naturally emerge without explicit training or overt feedback? Using fMRI, we examined the neural basis of incidental sound category learning as participants played a videogame in which sound category exemplars had functional utility in guiding videogame success. Even without explicit categorization of the sounds, participants learned functionally relevant sound categories that generalized to novel exemplars when exemplars had an organized distributional structure. Critically, the striatum was engaged and functionally connected to the auditory cortex during game play, and this activity and connectivity predicted the learning outcome. These findings elucidate the neural mechanism by which humans incidentally learn “real-world” categories.
Differential cortical microstructural maturation in the preterm human brain with diffusion kurtosis and tensor imaging
Authors: Ouyang Minhui , Jeon Tina , Sotiras Aristeidis , Peng Qinmu , Mishra Virendra , Halovanic Cathy , Chen Min , Chalak Lina , Rollins Nancy , Roberts Timothy P. L. , Davatzikos Christos , Huang Hao
Published: February 2019

Significance

Delineating cortical microstructure differentiation is important for understanding complicated yet precisely organized patterns in early developing brain. Knowledge of cortical differentiation predominantly from histological studies is limited in localized and discrete cortical regions. We quantified the preterm brain cerebral cortical profile with microstructural complexity [indexed by mean kurtosis (MK)] and microstructural organization [indexed by fractional anisotropy (FA)] from advanced diffusion MRI. Cortical MK and FA maps revealed a heterogeneous maturation signature. Spatiotemporally distinctive disruption of radial glia and decrease of neuronal density among cortical regions were inferred by FA and MK decreases, respectively. These findings suggest that diffusion kurtosis metrics are significant imaging markers for microstructural differentiation of the developmental brain in health and disease.
Processing generates 3′ ends of RNA masking transcription termination events in prokaryotes
Authors: Wang Xun , N Monford Paul Abishek , Jeon Heung Jin , Lee Yonho , He Jin , Adhya Sankar , Lim Heon M.
Published: February 2019

Significance

Transcription termination by RNA polymerase in prokaryotes is well understood in contrast to similar mechanisms in higher organisms. Despite the in vitro occurrence of two types of demonstrable transcription termination events in prokaryotes at the end of transcription units, they are obscured in vivo in two ways: suppression of termination by traversing of the RNA polymerase through the termination sites when coupled to translation, or by further processing of the actual terminated RNA 3′ ends by RNases, as in eukaryotes.
Crop variety management for climate adaptation supported by citizen science
Authors: van Etten Jacob , de Sousa Kauê , Aguilar Amílcar , Barrios Mirna , Coto Allan , Dell’Acqua Matteo , Fadda Carlo , Gebrehawaryat Yosef , van de Gevel Jeske , Gupta Arnab , Kiros Afewerki Y. , Madriz Brandon , Mathur Prem , Mengistu Dejene K. , Mercado Leida , Nurhisen Mohammed Jemal , Paliwal Ambica , Pè Mario Enrico , Quirós Carlos F. , Rosas Juan Carlos , Sharma Neeraj , Singh S. S. , Solanki Iswhar S. , Steinke Jonathan
Published: February 2019

Crop adaptation to climate change requires accelerated crop variety introduction accompanied by recommendations to help farmers match the best variety with their field contexts. Existing approaches to generate these recommendations lack scalability and predictivity in marginal production environments. We tested if crowdsourced citizen science can address this challenge, producing empirical data across geographic space that, in aggregate, can characterize varietal climatic responses. We present the results of 12,409 farmer-managed experimental plots of common bean (
Phaseolus vulgaris
L.) in Nicaragua, durum wheat (
Triticum durum
Desf.) in Ethiopia, and bread wheat (
Triticum aestivum
L.) in India. Farmers collaborated as citizen scientists, each ranking the performance of three varieties randomly assigned from a larger set. We show that the approach can register known specific effects of climate variation on varietal performance. The prediction of variety performance from seasonal climatic variables was generalizable across growing seasons. We show that these analyses can improve variety recommendations in four aspects: reduction of climate bias, incorporation of seasonal climate forecasts, risk analysis, and geographic extrapolation. Variety recommendations derived from the citizen science trials led to important differences with previous recommendations.
Multimodal gradients across mouse cortex
Authors: Fulcher Ben D. , Murray John D. , Zerbi Valerio , Wang Xiao-Jing
Published: February 2019

Significance

The brain is organized into processing streams, along which incoming sensory information is processed at increasingly abstract and integrative levels. This specialization of function is thought to be underpinned by corresponding changes in the brain’s local circuitry. Here we combine a wide range of measurements across the mouse brain, including the expression of genes, cell densities, and axonal connectivity, to show that the properties of local circuits of the mouse brain vary along putative processing streams in a similar way to the primate brain. This similarity across species points to common mechanisms through which mammalian brains may process information.