bluuebunny/crossref_metadata_2025 huggingface dataset:
Core–shell assembly of Co3O4@NiO-ZnO nanoarrays as battery-type electrodes for high-performance supercapatteries
Authors: Chen Hongmei , Zhou Jiaojiao , Li Qin , Tao Kai , Yu Xianbo , Zhao Shihang , Hu Yaoping , Zhao Wenna , Han Lei
Published: July 2019

Core–shell Co3O4@NiO-ZnO nanoarrays are fabricated by annealing metal–organic framework assisted precursors and investigated as battery-type electrode for supercapattery.
Specific purification of a single protein from a cell broth mixture using molecularly imprinted membranes for the biopharmaceutical industry
Authors: Xie Wenyuan , Wang Honglei , Tong Yen Wah , Sankarakumar Niranjani , Yin Ming , Wu Defeng , Duan Xiaoli
Published: July 2019

A surface imprinting method is presented herein for the development of a highly selective yet highly permeable molecularly imprinted membrane for protein separation and purification.
Water vapor permeable polyurethane films based on the hyperbranched aminoethers of boric acid
Authors: Davletbaeva I. M. , Dulmaev S. E. , Sazonov O. O. , Klinov A. V. , Davletbaev R. S. , Gumerov A. M.
Published: July 2019

It is shown that the water vapor permeability of polyurethanes obtained on the basis of sterically hindered aminoethers of boric acid is due to the peculiarities of the chemical structure of AEBA.
Gold(i)-catalyzed stereoselective cyclization of 1,3-enyne aldehydes by a 1,3-acyloxy migration/Nazarov cyclization/aldol addition cascade
Authors: Brandstätter Marco , Huwyler Nikolas , Carreira Erick M.
Published: July 2019

Optically active 1,3-enyne aldehydes undergo stereoselective, Au-catalyzed conversion to bicyclo[3.3.0]octenones (up to 97% ee, good d.r.) via a domino sequence involving 1,3-acyloxy migration, Nazarov cyclization and an unprecedented aldol addition.
Distinguishing failure modes in oligomeric polymer nanopillars
Authors: Lin Emily Y. , Riggleman Robert A.
Published: July 2019

We use simulations to capture ductile-to-brittle transition in glassy oligomer pillars, characterize the effects on mechanical, structural, and dynamical response during deformation. We present quantitative metrics to distinguish failure modes.
Equation of state of colloidal membranes
Authors: Balchunas Andrew J. , Cabanas Rafael A. , Zakhary Mark J. , Gibaud Thomas , Fraden Seth , Sharma Prerna , Hagan Michael F. , Dogic Zvonimir
Published: July 2019

Microfluidic device allows for an in situ control of the polymer osmotic pressure that envelops a colloidal membrane. Tuning this pressure changes the membrane area and yields the equation of state of colloidal membranes.
Efficient photocatalytic hydrogen evolution mediated by defect-rich 1T-PtS2 atomic layer nanosheet modified mesoporous graphitic carbon nitride
Authors: Liu Jinyuan , Xu Hui , Yan Jia , Huang Jihua , Song Yanhua , Deng Jiujun , Wu Jingjie , Ding Cheng , Wu Xiangyang , Yuan Shouqi , Li Huaming
Published: July 2019

The intimate contact heterostructures between defect-rich 1T-PtS2 atomic layer nanosheets and MCN have been constructed, which promote the effective separation of photogenerated carriers, thus improving the photocatalytic hydrogen production performance.
Cryptomelane K1.33Mn8O16 as a cathode for rechargeable aqueous zinc-ion batteries
Authors: Sada Krishnakanth , Senthilkumar Baskar , Barpanda Prabeer
Published: July 2019

Reversible intercalation of Zn ions in tetragonal K1.33Mn8O16 delivers 312 mA h g−1 capacity at a galvanostatic cycling rate of 0.1C with an average voltage of 1.5 V.
Partially delocalized charge in Fe-doped NiCo2S4 nanosheet–mesoporous carbon-composites for high-voltage supercapacitors
Authors: Lai Feili , Feng Jianrui , Heil Tobias , Tian Zhihong , Schmidt Johannes , Wang Gui-Chang , Oschatz Martin
Published: July 2019

Partially delocalized charge is generated in Fe-doped NiCo2S4 nanosheets, which show significantly enhanced adsorption ability towards ionic liquid ions.
Identification of turbostratic twisting in germanane
Authors: Trout Amanda H. , Wang Yaxian , Esser Bryan D. , Jiang Shishi , Goldberger Joshua E. , Windl Wolfgang , McComb David W.
Published: July 2019

We have developed a robust way of identifying small rotational disorder to help advance the understanding of twisted materials.
A thermoelastic model for strain effects on bandgaps and band offsets in heterostructure core/shell quantum dots
Authors: Ünlü Hilmi
Published: July 2019

A thermoelastic model is proposed to determine elastic strain effects on electronic properties of spherical Type I and Type II heterostructure core/shell quantum dots (QDs) as a function of dimensions of constituent semiconductors at any temperature. Proposed model takes into account the difference between lattice constants, linear expansion coefficients and anisotropy of elastic moduli (Young's modulus and Poisson's ratio) of constituent semiconductors, respectively. In analogous to lattice mismatch, we introduce so called the elastic anisotropy mismatch in heterostructures. Compressive strain acting on core (shell) side of heterointerfaces in CdSe/CdS, CdSe/ZnS, and ZnSe/ZnS QDs increases (decreases) as shell diameter is increased, which causes increase (decrease) in core bandgap as sell (core) diameter is increased in these nanostructures. Furthermore, there is a parabolic increase in conduction band offsets and core bandgaps in CdSe/CdS, CdSe/ZnS, and ZnSe/ZnS QDs and decrease in conduction band offset and core bandgap of ZnSe/CdS QD as core (shell) diameter increases for fixed shell (core) diameter. Comparison shows that using isotropic elastic moduli in determining band offsets and core band gaps gives better agreement with experiment than anisotropic elastic moduli for core bandgaps of CdSe/CdS, CdSe/ZnS, ZnSe/ZnS, and ZnSe/CdS core/shell QDs. Furthermore, we also show that the strain-modified two band effective mass approximation can be used to determine band offsets by using measured core band gaps in core/shell heterostructure QDs with Type II interface band alignment. Excellent agreement between predicted and measured core bandgaps in CdSe and ZnSe based core/shell QDs suggests that proposed model can be a good design tool for process simulation of core/shell heterostructure QDs.
Inverse Stone Throwers Wales defect and enhancing ION/IOFF ratio and subthreshold swing of GNR transistors
Authors: Nasrollahnejad Mohammad Bagher , Keshavarzi Parviz
Published: July 2019

In this paper, the impacts of the inverse Stone Thrower Wales (ISTW) defect as an ad-dimer defect on a double gate graphene nanoribbon field effect transistor (DGT) were studied. A DGT structure with a single ISTW defect is firstly analyzed for different positions of the ISTW defect across the width and along the length of the transistor channel. Then the impact of the random distributed ISTW (RDI) defect is investigated and the results indicate the defect density of 0.5% is more favorable due to its relatively better performance in off and on states. Considering how this ad-dimer defect can lead to enhance the transistor performance, a DGT structure including three ISTW defects in specific locations is also investigated which resulted in increasing the on-off current ratio up to 50 and decreasing the sub-threshold swing. The simulation results also show a decrease in ambipolar conduction and attenuation in kink effect. Our simulations has been done based on self-consistent solution of full 3D Poisson and Schrodinger equations within the non-equilibrium Green's function formalism. In the transistor channel, nanoribbons with non-functionalized edges are used.
Minimally Invasive Plate Osteosynthesis Using Fracture Reduction Under the Plate without Intraoperative Fluoroscopy to Stabilize Diaphyseal Fractures of the Tibia and Femur in Dogs and Cats
Authors: Cabassu Julien
Published: July 2019

Objective The aim of this study was to prospectively evaluate postoperative alignment when using fracture reduction under the plate (FRUP) during a minimally invasive plate osteosynthesis in tibial and femoral fractures, without intraoperative imaging, and report immediate postoperative complications.

Materials and Methods After precise plate contouring and preoperative planning, FRUP was obtained with one cortical screw per fragment. Fractures were stabilized with a plate or plate rod. Tibial/femoral lengths, tibial plateau angles, mechanical medial proximal and distal tibial angles, anatomical lateral distal femoral angles, femoral curvatum and neck anteversion were evaluated on postoperative radiographs and contralateral bone. Tibial torsion was evaluated visually. Paired t-test were used to compare data. Immediate postoperative complications were recorded.

Results Twenty-one tibial and 20 femoral fractures were stabilized (14 plate rod cases). Mean postoperative operated tibial length was 1.4% shorter (p = 0.001). Mean postoperative operated femoral length was 2% shorter (p = 0.04). Mean operated tibial plateau angle was 1.1° lower (p = 0.02). No difference in tibial torsion was noticed. No significant difference in mechanical medial proximal tibial angle, mechanical medial distal tibial angle, anatomical lateral distal femoral angle and femoral neck anteversion was observed. Mean operated femoral curvatum angle was 5.6° less (p = 0.01). Five cases (3 plate rod cases) required an immediate revision.

Clinical Significance Minimally invasive plate osteosynthesis with FRUP leads to acceptable postoperative alignment. Correct pin placement should be evaluated.
Antibiotic Treatments and Patient Outcomes in Necrotizing Enterocolitis
Authors: Murphy Catherine , Nair Jayasree , Wrotniak Brian , Polischuk Emily , Islam Shamim
Published: July 2019

Objective This study aimed to examine the impact of different antibiotic treatments on necrotizing enterocolitis (NEC) outcomes.

Study Design Patient outcomes, including total parenteral nutrition and hospitalization durations, abdominal surgeries, intestinal strictures, and mortality data, were analyzed and compared by various antibiotic groups and treatment durations for 160 NEC patients managed at the Women and Children's Hospital of Buffalo between 2008 and 2016.

Results Fourteen different antibiotics were used for NEC, most commonly ampicillin, gentamicin, and metronidazole (AGM). Medical (vs. surgical) NEC patients more likely received AGM (37 vs. 6%, p < 0.001). Surgical (vs. medical) NEC patients more likely received vancomycin (80 vs. 30%, p < 0.001) and antipseudomonal agents (69 vs. 15%, p < 0.001). For medical NEC there were no outcome differences between patients receiving only AGM versus those receiving other treatments; in patients receiving AGM, there were no outcome differences in durations of ≤10 days versus longer courses.

Conclusion Antibiotic use for NEC varies substantially without definite outcome differences. Particularly with medical NEC, AGM for ≤10 days had comparable outcomes to other treatments. In light of growing concern for short and longer term adverse effects with early-life antibiotic exposure, narrow-spectrum and shorter course NEC treatment may be preferred.
Selective Head versus Whole Body Cooling Treatment of Hypoxic-Ischemic Encephalopathy: Comparison of Electroencephalogram and Magnetic Resonance Imaging Findings
Authors: Goenka Ajay , Yozawitz Elissa , Gomes William A. , Nafday Suhas M.
Published: July 2019

Objective This study aimed to compare the utility of electroencephalogram (EEG) and brain magnetic resonance imaging (MRI) to detect brain dysfunction and injury across a cohort of newborn infants treated with selective head cooling (SHC) or whole body cooling (WBC).

Study Design Therapeutic hypothermia (TH) is a standard neuroprotection tool for hypoxic-ischemic encephalopathy (HIE) in neonates. Sixty-six newborns, SHC (n = 22) and WBC (n = 44), were studied utilizing standardized scoring systems for interpretation of EEG and MRI based on the severity of the findings.

Results SHC- and WBC-treated groups did not differ significantly amongst most of the baseline parameters. EEGs obtained postcooling were abnormal in 58 of 61 (95%) infants. The severity of the EEG background changes (depressed and undifferentiated background) was more prevalent in the SHC (8/21 [38%]) than in the WBC group (5/40 [13%]). Brain MRIs showed HIE changes in 26 of 62 (42%) newborns treated with TH. MRI abnormalities of basal ganglia, thalamic, and parenchymal lesions were more common in the SHC (5/19) versus the WBC group (3/43); p = 0.04.

Conclusion EEG abnormalities and MRI findings of HIE were more prevalent in the SHC than in the WBC group. WBC may offer better or at least similar neuroprotection to infants with HIE.
Lower Limb Malrotation Is Regularly Present in Long-Leg Radiographs Resulting in Significant Measurement Errors
Authors: Maderbacher Günther , Matussek Jan , Greimel Felix , Grifka Joachim , Schaumburger Jens , Baier Clemens , Keshmiri Armin
Published: July 2019

Weight-bearing long-leg radiographs are commonly used in orthopaedic surgery. Measured parameters, however, change when radiographs are conducted in different rotational positions of the leg. It was hypothesized that rotational errors are regularly present in long-leg radiographs resulting in wrong measurements. In 100 consecutive long-leg radiographs conducted according to the method of Paley, rotation was assessed by fibular overlap. Angular parameters in radiographs (mechanical lateral proximal femoral angle (mLPFA), mechanical lateral distal femoral angle (mLDFA), angle between the anatomical and mechanical femoral axis (AMA), mechanical medial proximal tibia angle (mMPTA), mechanical lateral distal tibial angle (mLDTA), and the mechanical femoral and tibial axis (mFA–mTA) were measured and deviations related to malrotation calculated. An average internal rotation of 8 degrees was found in lower limbs showing a range between 29 degrees of internal and 22 degrees of external rotation. As a result, mean differences before and after rotational correction for measured parameters (mLPFA, mLDFA, AMA, mMPTA, mLDTA, mFA–mTA) ranged between 0.4 and 1.7 degrees (−2.1; 5.6 95% confidence interval [CI]). In conclusion, malrotation of lower limbs is regularly present in long-leg radiographs. As all measured parameters are influenced by malrotation, correct lower limb rotation needs to be verified.
Flow fields around pinned self-thermophoretic microswimmers under confinement
Authors: Bregulla A. P. , Cichos F.
Published: July 2019

We measure the flow field around a pinned micrometer-sized self-thermophoretic Janus particle confined in a slit pore of different slit widths. The flow field is determined with the help of gold nanoparticles, which are thermophoretically inactive and thus do not respond to the generated temperature gradients directly. The flow fields are altered when the slit pore is narrowing and reveal clear features of thermo-osmotic flows generated by the temperature gradients along the confining glass cover slip surfaces. Based on these observations, we suggest that many observations of active and passive particle clustering around phoretic swimmers are influenced by such osmotic creep flows induced at the substrate boundary.
Microfluidics-based skin irritation test using in vitro 3D angiogenesis platform
Authors: Jusoh Norhana , Ko Jihoon , Jeon Noo Li
Published: July 2019

A global ban on animal experiments has been proposed. Hence, it is imperative to develop alternative models. Artificial skin models should reflect the responses of subcutaneous blood vessels and the immune system to elucidate disease and identify cosmetics' base materials. Notably, in vivo skin-irritation cascades involve disruption of the epidermal barrier and the release of proinflammatory mediators in response to chemical stimuli. Such proinflammatory factors promote angiogenesis and blood vessel permeability, as observed in irritant contact dermatitis. As an alternative to animal models, we propose a novel skin-irritation model based on a three-dimensional in vitro angiogenesis platform, in which irritated keratinocytes biochemically stimulate vascular endothelial growth factors. Our microfluidic platform hosts interactions between keratinocytes and dermal fibroblasts, which promote angiogenic sprouting. We use sodium lauryl sulfate (SLS) and steartrimonium chloride (SC) as chemical irritants. The irritative effects of SLS and SC are of particular interest due to the ubiquity of both SLS and SC in cosmetics. SLS was observed to significantly affect angiogenic performance, with increasing sprout length. Further promotion of vessel sprouting and lumen formation was observed with 10, 20, and 60 μM of SC, despite its classification as nonirritating and use in supposedly safe formulations. This platform provides an alternative to animal testing as a basis for testing cosmetics and pharmaceutical substances, in addition to serving as a disease model for irritant contact dermatitis.
Development of bi-directional DC/DC converter for fuel cell hybrid vehicle
Authors: Liu Hao , Song Qingchao , Zhang Caizhi , Chen Jiawei , Deng Bo , Li Jin
Published: July 2019

Dual active full-bridge (DAB) DC/DC converters are widely used in energy storage systems with bidirectional energy flow, such as fuel cell hybrid vehicles. This paper presents a robustness design method for DAB converter power system stabilizers. Based on the single-phase-shift control model of the DAB converter, the small signal model and the multicell structure of the converter are established and the state equation of the system is obtained. Then, the controller design problem is transformed into a linear quadratic regulator problem, which is solved by linear matrix inequality. The controller designed by this method can make the DC/DC converter run stably even when the parameters are uncertain, which is verified by simulation and experiments.
Investigation of unintentional Fe incorporation in (010) β-Ga2O3 films grown by plasma-assisted molecular beam epitaxy
Authors: Mauze Akhil , Zhang Yuewei , Mates Tom , Wu Feng , Speck James S.
Published: July 2019

Transition metals, such as Fe, are commonly used in either layers or substrates to serve as deep intentional acceptors to realize semi-insulating substrates, regrowth interfaces, or buffer layers. The unintentional incorporation of the compensating acceptor in subsequent layers is a major concern in epitaxial growth. In this paper, we report on unintentional Fe incorporation for the homoepitaxial growth of (010) β-Ga2O3 by plasma-assisted molecular beam epitaxy on (010) Fe-doped β-Ga2O3 substrates. Fe was found to incorporate heavily into films grown at 500 °C, while growth temperatures of 650 °C and higher showed a significantly longer tail of Fe in the films. This Fe tail was determined to be a result of surface riding during growth rather than diffusion. The total surface riding concentration of Fe was found to be approximately 3 × 1012 cm−2 from a typical Fe-doped (010) β-Ga2O3 substrate. Surface segregation coefficients of 0.982 and 0.993 were calculated for growth temperatures of 500 °C and 700 °C, respectively. Furthermore, growth temperatures of 500 °C–700 °C demonstrated high crystalline quality and smooth surface morphology.
Algebraic non-equilibrium wall-stress modeling for large eddy simulation based on analytical integration of the thin boundary-layer equation
Authors: Suga Kazuhiko , Sakamoto Tomoki , Kuwata Yusuke
Published: July 2019

An algebraic nonequilibrium wall-stress model for large eddy simulation is discussed. The ordinary differential equation (ODE) derived from the thin-layer approximated momentum equation, including the temporal, convection, and pressure gradient terms, is considered to form the wall-stress model. Based on the concept of the analytical wall function (AWF) for Reynolds-averaged turbulence models, the profile of the subgrid scale (SGS) eddy viscosity inside the wall-adjacent cells is modeled as a two-segment piecewise linear variations. This simplification makes it possible to analytically integrate the ODE near the wall to algebraically give the wall shear stress as the wall boundary condition for the momentum equation. By applying such integration to the wall-normal velocity component, the methodology to avoid the log-layer mismatch is also presented. Coupled with the standard Smagorinsky model, the proposed SGS-AWF shows good performance in turbulent channel flows at Reτ = 1000–5000 irrespective of the grid resolutions. This SGS-AWF is also confirmed to be superior to the traditional equilibrium wall-stress model in a turbulent backward-facing step flow.
Space charge control of point defect spin states in AlN
Authors: Bowes Preston C. , Wu Yifeng , Baker Jonathon N. , Harris Joshua S. , Irving Douglas L.
Published: July 2019

One barrier to developing quantum information systems based on impurity point defects is that the desirable spin states of the defects are often unstable for Fermi levels obtained at increased impurity concentrations. The space charge induced band bending near the interface of Si/Mg aluminum nitride (AlN) homojunction is investigated computationally as a method to control the concentration, spin state, and position of such point defects. This is done by solving Poisson's equation with the charge density described by a grand canonical defect chemistry model informed by hybrid-functional density functional theory (DFT) calculations. Previous experimental works have found unintentional carbon and oxygen impurities pervade AlN homojunctions. First principles calculations have predicted the neutral complex between an aluminum vacancy and oxygen impurity on a neighboring nitrogen site (vAl-1ON)0 has a spin triplet configuration, which is stable in a region when the Fermi level is below midgap. From defect equilibrium simulations considering 602 possible defects, vAl-1ON was found to be unstable on the Mg-doped side of the homojunction and isolated oxygen impurities are preferred. On the Si-doped side, vAl-1ON forms but as (vAl-1ON)–2, not (vAl-1ON)0. This makes vAl-1ON a prototypical test case for the proposed strategy. Simulations of the Si/Mg:AlN homojunction showed (vAl-1ON)0 is stabilized within 6 nm of the interface in the Si-doped portion. This result indicates space charge induced band bending enables control over the concentration, spin state, and position of point defects, which is critical to realizing point defect based quantum information systems.
A cryogenic radio-frequency ion trap for quantum logic spectroscopy of highly charged ions
Authors: Leopold T. , King S. A. , Micke P. , Bautista-Salvador A. , Heip J. C. , Ospelkaus C. , Crespo López-Urrutia J. R. , Schmidt P. O.
Published: July 2019

A cryogenic radio-frequency ion trap system designed for quantum logic spectroscopy of highly charged ions (HCI) is presented. It includes a segmented linear Paul trap, an in-vacuum imaging lens, and a helical resonator. We demonstrate ground state cooling of all three modes of motion of a single 9Be+ ion and determine their heating rates as well as excess axial micromotion. The trap shows one of the lowest levels of electric field noise published to date. We investigate the magnetic-field noise suppression in cryogenic shields made from segmented copper, the resulting magnetic field stability at the ion position and the resulting coherence time. Using this trap in conjunction with an electron beam ion trap and a deceleration beamline, we have been able to trap single highly charged Ar13+ (Ar XIV) ions concurrently with single Be+ ions, a key prerequisite for the first quantum logic spectroscopy of a HCI. This major stepping stone allows us to push highly-charged-ion spectroscopic precision from the gigahertz to the hertz level and below.
A behavior tracking algorithm based on gradient vector flow and linear discriminant analysis
Authors: Wang Yanni , Fan Qingyang , Zhou Junni
Published: July 2019

Aiming at the problem of scarcity in traditional tracking algorithms in order to track behavior more rapidly and accurately, a behavior tracking algorithm based on linear discriminant analysis combined with the gradient vector flow is presented. First, the gradient vector flow is calculated in the reference coordinate system, the appropriate curve parameters are set, and the position of the behavior is determined. Then, the discreteness is calculated within the range of behavior, the discriminant function is defined, and the maximum value and the best eigenvector are obtained. Last, the behavior is detected when the value of the dispersion degree is less than the set threshold. The new algorithm is not affected by background changes. Compared with existing algorithms, the simulation results show that the method is easy to realize and has a more stable tracking effect.
CFD analysis for the performance of micro-vortex generator on aerofoil and vertical axis turbine
Authors: Yan Yan , Avital Eldad , Williams John , Cui Jiahuan
Published: July 2019

A numerical study was performed to investigate the effects of Microvortex Generators (MVGs) on the aerodynamic performance of the NACA 0018 airfoil and an H-type Darrieus wind turbine. MVGs can delay stall, which may occur for a sustained duration during turbine operation. The flow fields around a single airfoil and the Vertical Axis Wind Turbine (VAWT) rotor are investigated. The purpose of the present work is to determine the best configuration of MVGs. In total, eight different configurations are studied. The results show that MVGs have significantly enhanced the lift of the airfoil near the stall and improve the stall margin. The improved airfoil design with MVGs installed at 20% chord length and 16° to the inlet flow with a rectangle shape has the maximum lift and stall angle. In addition, adding MVGs of the same configuration can significantly improve the power coefficient of the VAWT at a high tip speed ratio, where it typically gives low power production. The flow separation is suppressed in the azimuth angle ranging from 120° to 135°, where the power output increase is observed showing a potential impact for VAWT design.
Phase and amplitude modulation with acoustic holograms
Authors: Brown Michael D.
Published: July 2019

Acoustic holograms are a low cost method for generating arbitrary diffraction limited pressure distributions in 3 dimensions. However, at present, the creation of complex fields using this approach is limited by the inability of these holograms to independently modulate both the phase and amplitude of an incident wave. In this work, it is shown that this limitation can be circumvented by using two phase holograms, designed using an iterative Fourier transform algorithm, to form the phase conjugate of a back-propagated target pattern over a predefined surface. An experimental test-case, designed to generate the letters “UCL” with the uniform amplitude and phase, is prepared to demonstrate the feasibility of this technique. Field measurements from this sample show that the modulation of both the phase and amplitude of the acoustic field can be achieved with this approach.
Solitary states and solitary state chimera in neural networks
Authors: Rybalova E. , Anishchenko V. S. , Strelkova G. I. , Zakharova A.
Published: July 2019

We investigate solitary states and solitary state chimeras in a ring of nonlocally coupled systems represented by FitzHugh-Nagumo neurons in the oscillatory regime. We perform a systematic study of solitary states in this network. In particular, we explore the phase space structure, calculate basins of attraction, analyze the region of existence of solitary states in the system’s parameter space, and investigate how the number of solitary nodes in the network depends on the coupling parameters. We report for the first time the occurrence of solitary state chimera in networks of coupled time-continuous neural systems. Our results disclose distinctive features characteristic of solitary states in the FitzHugh-Nagumo model, such as the flat mean phase velocity profile. On the other hand, we show that the mechanism of solitary states’ formation in the FitzHugh-Nagumo model similar to chaotic maps and the Kuramoto model with inertia is related to the appearance of bistability in the system for certain values of coupling parameters. This indicates a general, probably a universal desynchronization scenario via solitary states in networks of very different nature.
New design strategy for acoustic holograms demonstrates potential for biomedical applications
Authors: Mandel Savannah
Published: July 2019

The inability of acoustic holograms to independently modulate both phase and amplitude of incident waves is circumvented by multiple phase holograms designed using an iterative Fourier transform algorithm.
Metal-organic frameworks derived Ag-CoSO4 nanohybrids as efficient electrocatalyst for oxygen evolution reaction
Authors: Li Meng-si , Lin Zhi-yu , Chen Qian-wang
Published: July 2019

Cobalt-based nanomaterials have been intensively explored as one of the most promising noble-metal-free oxygen evolution reaction (OER) electrocatalysts. However, most of their performances are still inferior to state-of-the-art precious metals especially for Ru and Ir. Herein, we apply a continuous ion exchange method and further hydrothermal treatment to synthesize the flake-like Ag-CoSO4 nanohybrids beginning from Co-BTC (BTC: benzene-1,3,5-tricarboxylic acid) metal-organic frameworks precursor. The catalyst exhibits superior OER performance under the alkaline electrolyte solution (a low overpotential of 282 mV at 10 mA/cm2 in 1 mol/L KOH), which is even better than RuO2 due to the improved conduc­tivity and rapid electrons transfer process via introducing small amount of Ag. The existence of Ag in the hybrids is beneficial for increasing the Co(IV) concentration, thus promoting the *OOH intermediate formation process. Besides, due to the very low requirement of Ag content (lower than 1 atom%), the cost of the catalyst is also limited. This work provides a new insight for designing of inexpensive OER catalysts with high performance and low cost.
Density functional theory and electrochemistry studies on LiFexMn1−xPO4 solid solutions
Authors: Wang Kang-ping , Shen Tao-tao , Chen Dong-ming , Wang Wen-lou
Published: July 2019

The thermodynamic stability and lithiated/delithiated potentials of LiFexMn1−xPO4 were studied with density functional theorical calculations. The results show that the formation free energy of the LiFexMn1−xPO4 solid solution is slightly higher than that of the phase-separated mixture of LiFePO4 and LiMnPO4, and the two forms may co-exist in the actual LiFexMn1−xPO4 materials. The calculation manifests that the lithiated/delithiated potentials of LiFexMn1−xPO4 solid solutions vary via the Mn/Fe ratio and the spatial ar-rangements of the transition metalions, and the result is used to explain the shape of capacity-voltage curves. Experimentally, we have synthesized the LiFexMn1−xPO4 materials by solid-phase reaction method. The existence of the LiFexMn1−xPO4 solid solution is thought to be responsible for the appearance of additional capacity-voltage plateau observed in the experiment.
Ultraviolet photodissociation dynamics of DNCO + hν → D + NCO: Two competitive pathways
Authors: Su Shu , Chen Zhen , Chen Zhi-chao , Wu Guo-rong , Dai Dong-xu , Yuan Kai-jun , Yang Xue-ming
Published: July 2019

Photodissociation dynamics of DNCO + hν → D + NCO at photolysis wavelengths between 200 and 235 nm have been studied using the D-atom Rydberg tagging time-of-flight technique. Product translational energy distributions and angular distributions have been determined. Nearly statistical distribution of the product translational energy with nearly isotropic angular distribution was observed at 210–235 nm, which may come from the predissociation pathway of internal conversion from S1 to S0 state followed by decomposition on S0 surface. At shorter photolysis wavelengths, in addition to the statistical distribution, another feature with anisotropic angular distribution appears at high translational energy region, which can be attributed to direct dissociation on S1 surface. Compared with HNCO, the direct dissociation pathway for DNCO photodissociation opens at higher excitation energy. According to our assignment of the NCO internal energy distribution, dominantly bending and a little stretching excited NCO was produced via both dissociation pathways.
Photocatalytic dissociation of CH3OH on ZnO(0001) surface
Authors: Liang Peng-xiao , Xu Fei , Li Zhen-xing , Luan Zhi-wen , Wang Xing-an , Guo Qing , Yang Xue-ming
Published: July 2019

Photocatalysis of CH3OH on the ZnO(0001) surface has been investigated by using temperature-programmed desorption (TPD) method with a 266 nm laser light. TPD results show that part of the CH3OH adsorbed on ZnO(0001) surface are in molecular form, while others are dissociated. The thermal reaction products of H2, CH3·, H2O, CO, CH2O, CO2 and CH3OH have been detected. Experiments with the UV laser light indicate that the irradiation can promote the dissociation of CH3OH/CH3O· to form CH2O, which can be future converted to HCOO− during heating or illumination. The reaction between CH3OHZn and OHad can form the H2O molecule at the Zn site. Both temperature and illumination promote the desorption of CH3· from CH3O·. The research provides a new insight into the photocatalytic reaction mechanism of CH3OH on ZnO(0001).
Contemplating 1,2,4-Thiadiazole-Inspired Cyclic Peptide Mimics: A Computational Investigation
Authors: Xie Sida , Bernhardt Paul V. , Gahan Lawrence R. , Williams Craig M.
Published: July 2019

Marine derived cyclic peptides have inspired chemists for decades as the cavitand architecture can be compared with macrocyclic ligands, and hence easily conceived as mediators of metal-ion transport. Lissoclinamide 5 and ascidiacyclamide are two such cyclic peptides that have received much attention both for their metal ion complexation properties and biological activity; the metal ion binding properties of mimics of these two systems have been reported. Reported herein is a computational study aimed at evaluating the stability, and potential for copper(ii) ion binding by lissoclinamide 5 mimics that substitute the naturally occurring 4-carboxy-1,3-thiazole units for novel valine- and phenylalanine-derived 1,2,4-thiadiazole units. Our results suggest that one lissoclinamide 5 mimic, 1,2,4-thiadiazole (TDA)-lissoclinamide 9, may be capable of forming a complex with one CuII ion, [Cu(9-H)(H2O)]+. A complex with two CuII ions, [Cu2(9-H)(μ-OH)]2+, was also considered. These results set the stage for synthetic and experimental metal binding studies.
Glucose stimulates somatostatin secretion in pancreatic δ-cells by cAMP-dependent intracellular Ca2+ release
Authors: Denwood Geoffrey , Tarasov Andrei , Salehi Albert , Vergari Elisa , Ramracheya Reshma , Takahashi Harumi , Nikolaev Viacheslav O. , Seino Susumo , Gribble Fiona , Reimann Frank , Rorsman Patrik , Zhang Quan
Published: July 2019

Somatostatin secretion from pancreatic islet δ-cells is stimulated by elevated glucose levels, but the underlying mechanisms have only partially been elucidated. Here we show that glucose-induced somatostatin secretion (GISS) involves both membrane potential-dependent and -independent pathways. Although glucose-induced electrical activity triggers somatostatin release, the sugar also stimulates GISS via a cAMP-dependent stimulation of CICR and exocytosis of somatostatin. The latter effect is more quantitatively important and in mouse islets depolarized by 70 mM extracellular K+, increasing glucose from 1 mM to 20 mM produced an ∼3.5-fold stimulation of somatostatin secretion, an effect that was mimicked by the application of the adenylyl cyclase activator forskolin. Inhibiting cAMP-dependent pathways with PKI or ESI-05, which inhibit PKA and exchange protein directly activated by cAMP 2 (Epac2), respectively, reduced glucose/forskolin-induced somatostatin secretion. Ryanodine produced a similar effect that was not additive to that of the PKA or Epac2 inhibitors. Intracellular application of cAMP produced a concentration-dependent stimulation of somatostatin exocytosis and elevation of cytoplasmic Ca2+ ([Ca2+]i). Both effects were inhibited by ESI-05 and thapsigargin (an inhibitor of SERCA). By contrast, inhibition of PKA suppressed δ-cell exocytosis without affecting [Ca2+]i. Simultaneous recordings of electrical activity and [Ca2+]i in δ-cells expressing the genetically encoded Ca2+ indicator GCaMP3 revealed that the majority of glucose-induced [Ca2+]i spikes did not correlate with δ-cell electrical activity but instead reflected Ca2+ release from the ER. These spontaneous [Ca2+]i spikes are resistant to PKI but sensitive to ESI-05 or thapsigargin. We propose that cAMP links an increase in plasma glucose to stimulation of somatostatin secretion by promoting CICR, thus evoking exocytosis of somatostatin-containing secretory vesicles in the δ-cell.
Simulation Analysis on the Blade Airfoil of Small Wind Turbine
Authors: Zongheng Hong , Tao Yu , Guanyu Chen , Xiangrui Li , Yu Hong
Published: July 2019

The selection of the blade airfoil of wind turbine has a crucial impact on the overall efficiency of wind turbine and wind energy utilization. Aiming at the small 300W household wind turbine on the market, based on its known design parameters and using the software of Profili and SolidWorks, the 3D solid modeling of the blade has been achieved in three common airfoils (NACA4412, NACA0009 and NACA 23012). Then, by using the Fluent module of the finite element analysis software ANSYS, the actual working environment of the blade is simulated. The results show that the blades under the NACA0009 airfoil can produce a relatively maximum axial torque of 3.7808 Nm. Finally, based on the above research method, the new airfoil Icarus was discovered by improving the existing airfoil, which has a relatively low manufacturing cost, and the average pressure difference per unit area of the blade is 4.95% higher than that of the NACA0009 airfoil. This research can provide reference for the improvement of airfoil of small wind turbines, which has certain practical significance and practical value.
Structures prediction of Plasmodium Falciparum Signal Peptide Peptidase (PfSPP) and identification of binding Site
Authors: Priambodo G , Kartono A , Batubara I , T Wahyudi S
Published: July 2019

Malaria is a tropical parasitic disease caused by mosquitoes. Plasmodium falciparum is the species that causes the most human deaths compared to other species. Plasmodium which infects red blood cells will causes pathology and clinical manifestations in malaria sufferers. Plasmodium falciparum Signal Peptide Peptidase (PfSPP) is an important enzyme to infect red blood. I-TASSER (Iterative Threading ASSEmbly Refinement) has been used to predict the 3D structure of the PfSPP enzyme by modeling using proteins in databases. Based on data analysis such as Ramachandran plot, G-Factor, RMSD, Radius of gyration, and NAMD energy, model 5 is the best model of all I-TASSER structure prediction models. AutoLigand was used to predict the binding sites on this model and obtained 5 binding sites points with lowest free energy on each fill point. Binding sites 3, 4 and 5 have the largest volumes 345 Å3, 372 Å3, and 395 Å3 respectively so that they have potential to bind with both ligand mefloquine and primaquine with volume 330 Å3 and 333 Å3 respectively. Three binding sites have the potential to inhibit PfSPP so it cannot function properly and stop the invasion of the parasite’s merozoite to other erythrocytes.
Effect of harvest timing and length of storage time on glucomannan content in porang tubers
Authors: Nurlela  , Ariesta N , Santosa E , Muhandri T
Published: July 2019

Amorphophallus muelleri Blume synonym of A. oncophyllus (porang) is one of the species of porang that grows in Indonesia, especially in East Java. It has a high economic value because the tubers contain glucomannan. Earlier work reported that harvest timing and length of storage affected secondary metabolite containing on plants. The study objective was to determine the glucomannan content of porang at 1, 2 months before dormant, at dormant and length of storage time (1 and 2 months after dormant) at room temperature. Glucomannan was isolated from fresh tubers to easier removal of the impurities and obtain the high purity of glucomannan. The highest obtained glucomannan was determined its functional groups using Fourier Transform Infrared (FTIR). The highest glucomannan content was derived in tubers taken at dormant compared to before and after dormant. FTIR spectra confirmed the presence of functional groups that compose the glucomannan compound.
Phycoremediation of anaerobic digested dairy manure wastewater using Chlorella vulgaris
Authors: Taufikurahman T , Istiqomah I N
Published: July 2019

Microalgae have been used in a process of pollutants removal from wastewater, a process known as phycoremediation. In this study we used Chlorella vulgaris to remediate anaerobically digested dairy manure wastewater (ADDMW) which contained a high concentration of nitrogen and phosphor. The light intensity of 50, 100 μmol/m2s and sunlight were applied to the microalgal culture. Percentage of reduction in ammonium and orthophosphate content in the media were measured. Protein content in microalgal biomass was measured using hot-TCA method. At the light intensity of 100 μmol/m2s, microalgal productivity in biomass reached its high level i.e. 0.149 ± 0.03 gL−1d−1 with its protein content 10.74 ± 0.63%. However, the highest specific growth rate (0.343 ± 0.034 d−1) with the shortest doubling time (2.028 ± 0,141 d) were reached under sunlight conditions. The reduction rate of ammonium and orthophosphate content in the medium were 36-48 mgL−1h−1 and 5-6.62 mgL−1h−1 respectively in a culture which was inoculated with C. vulgaris. C. vulgaris can be used as phycoremediator for ammonium and orthophosphate, and ADDMW medium can supply C. vulgaris with appropriate nutrients. Moreover, light intensities of 50 and 100 μmol/m2s can be used in the indoor culture of microalgae.
Cellulolytic and Xylanolytic Actinomycetes selection to degrade Lignocellulosic biomass of Robusta coffee pulp (Coffea canephora)
Authors: Putri E , Rukayadi Y , Sunarti T C , Meryandini A
Published: July 2019

Actinomycetes are bacteria that have a high ability to produce hydrolytic enzymes that can be applied to degrade coffee pulp which contains lignocellulose components. Coffee pulp is residues from a coffee industry that can be used as substrates in the solid state fermentation process. In this study, cellulase and xylanase activity from actinomycetes isolates were investigated. Screening of these enzymes activity was using agar medium supplemented with 1% carboxymethylcellulose (CMC) and xylan from beechwood as substrate. Production of clear zones surrounding isolates on CMC and xylan agar medium was considered as indicative of extracellular cellulase and xylanase activity. The size of a transparent zone diameter was considered as proportional to the level of cellulase and xylanase production. Congo red 0,1% was used for staining. Selected actinomycetes isolates were continued to growth investigation on agar medium supplemented with 1% coffee pulp. The clear zone formed around isolates indicated that the isolate had the ability to degrade the lignocellulose component in the coffee pulp. The results show that of the 99 actinomycetes isolates tested on agar medium supplemented with 0.1% CMC and xylan, 16 isolates showed cellulase activity (cellulase index ≥ 2), 20 isolates showed xylanase activity (xylanase index ≥ 1), and 5 isolates showed both activities. Ten isolates have the ability to grow and produce a clear zone on the coffee pulp agar medium with cellulase and xylanase activity. Among these ten tested isolates; HJ4.5b, P2b(b).3, P2b(b).4, and P2b(b).18 are the most potential isolates that can be continued for further research on fermentation coffee cherries.
Influence of urea fertilizer applied with polyacrylate polymer, zeolite and Mimba on growth maize
Authors: Sofia A R B , Hala Y , Makkulawu A T , Hiola S F , Karim H , Iriany R N , Sjahril R , Jumadi O
Published: July 2019

This research was carried out to study the growth of maize fertilized with a composite of urea with slow release materials (polyacrylate polymer and zeolite) and nitrification inhibitors, Mimba (Azadirachta indica). Three times repetitions of Randomized Block design was used in this study. The parameters observed included biomass (g), the weight of cobs (g) and the length of cobs (cm). The weight and the length of corn cobs were measured after harvest. The result of the study shows that the growth of maize applied with urea fertilizer composited with polymeric polyacrylate, zeolite and Mimba was significantly different from the negative control (KH2PO4/Mono potassium phosphate) fertilizer and appeared to be significantly better than the positive control (Urea and KH2PO4 fertilizers).
Isolation and molecular identification of Endophytic bacteria from Noni fruits (Morinda citrifolia l.) and their antibacterial activity
Authors: Sogandi  , Nilasari P
Published: July 2019

Endophytic bacteria are microorganisms that exist in the system of plant tissues such as fruits, leaves, twigs, roots and they can form colonies without causing damage to the plant. One potential medicinal plant has endophytic bacteria are Noni fruits (Morinda citrifolia l). This study aimed at isolating endophytic bacterial from Noni fruits (Morinda citrifolia l), screening endophytic bacteria, determining antibacterial activity of potential endophytic bacteria, identifying 16S rRNA of potential endophytic bacteria, and detection of an antibacterial compound using GCMS. Endophytic bacteria were successfully isolated from Noni fruits and disc-diffusion methods were used to screen for antibacterial activity against pathogenic bacteria (Staphylococcus aureus, Escherichia coli, Shigella dysenteriae, and Streptococcus mutans). The result of bacterial activity showed isolate ACP1, ACP2, ACP4, and ACP6 were produced antibacterial compounds. The activity shown with the formation of a clear zone and ACP6 isolate could inhibit four pathogenic bacteria with the highest clear zone. Molecular identification was investigated used PCR amplification 16S rRNA gene. The result showed that the potential isolate ACP6 (Acc. No. MH915674.1) belonging as Enterobacter cloacae with 99 % sequence similarities and according to GCMS analysis, ethyl acetate fraction from secondary metabolite ACP6 contains Pyrazine as a bioactive compound. These findings suggest that the identified strains may contribute to the search for new sources of antibacterial substances.
Optimum scoring scheme to classify villages into urban-rural group
Authors: Manik R P , Herlina  , Wigena A H , Surbakti S R , Sartono B
Published: July 2019

The scoring method has been used by BPS-Statistics Indonesia since the 1980s to classify urban/rural areas. Currently, the 2010 scoring method uses total score 10 as a threshold to classify villages to urban-rural status. If the total score more than or equal 10, the villages are classified as urban, and rural otherwise. Applying the 2010 scoring method on raw data of Pendataan Potensi Desa (PODES) 2008 and 2014 shows 1266 villages change from urban to rural. Therefore, it is necessary to evaluate the determinant of predictors and the criteria of each predictor. The purpose of this research is to show the optimum scoring method from several optimizations that change the predictors and several optimizations that add new predictors. Exploratory Data Analysis (EDA) used to obtain the predictors and scores for each new criterion. In relation to this research problem, optimization is used to get the best results under given constraint. The constraint of the optimization carried out is the assumption that the changes in rural to urban status are increasing, and the changes in urban to rural are not existing. The optimum scoring method obtained from this study is the one excluding cinema (X8), changing the criteria of percentage of households with cable phone (X11) and percentage of households with electricity (X12), replacing predictor hotels (X10) into a starred hotel and adding minimarket as a new predictor. This optimization uses 12 variables with threshold 10. The implication of this study for future research is the use of more advanced statistical methods than EDA to determine the criteria of each predictor.