bluuebunny/crossref_metadata_2025 huggingface dataset:
A 16-bit Coherent Ising Machine for One-Dimensional Ring and Cubic Graph Problems
Authors: Takata Kenta , Marandi Alireza , Hamerly Ryan , Haribara Yoshitaka , Maruo Daiki , Tamate Shuhei , Sakaguchi Hiromasa , Utsunomiya Shoko , Yamamoto Yoshihisa
Published: September 2016

Many tasks in our modern life, such as planning an efficient travel, image processing and optimizing integrated circuit design, are modeled as complex combinatorial optimization problems with binary variables. Such problems can be mapped to finding a ground state of the Ising Hamiltonian, thus various physical systems have been studied to emulate and solve this Ising problem. Recently, networks of mutually injected optical oscillators, called coherent Ising machines, have been developed as promising solvers for the problem, benefiting from programmability, scalability and room temperature operation. Here, we report a 16-bit coherent Ising machine based on a network of time-division-multiplexed femtosecond degenerate optical parametric oscillators. The system experimentally gives more than 99.6% of success rates for one-dimensional Ising ring and nondeterministic polynomial-time (NP) hard instances. The experimental and numerical results indicate that gradual pumping of the network combined with multiple spectral and temporal modes of the femtosecond pulses can improve the computational performance of the Ising machine, offering a new path for tackling larger and more complex instances.
Large Area Fabrication of Semiconducting Phosphorene by Langmuir-Blodgett Assembly
Authors: Kaur Harneet , Yadav Sandeep , Srivastava Avanish. K. , Singh Nidhi , Schneider Jörg J. , Sinha Om. P. , Agrawal Ved V. , Srivastava Ritu
Published: September 2016

Phosphorene is a recently new member of the family of two dimensional (2D) inorganic materials. Besides its synthesis it is of utmost importance to deposit this material as thin film in a way that represents a general applicability for 2D materials. Although a considerable number of solvent based methodologies have been developed for exfoliating black phosphorus, so far there are no reports on controlled organization of these exfoliated nanosheets on substrates. Here, for the first time to the best of our knowledge, a mixture of N-methyl-2-pyrrolidone and deoxygenated water is employed as a subphase in Langmuir-Blodgett trough for assembling the nanosheets followed by their deposition on substrates and studied its field-effect transistor characteristics. Electron microscopy reveals the presence of densely aligned, crystalline, ultra-thin sheets of pristine phosphorene having lateral dimensions larger than hundred of microns. Furthermore, these assembled nanosheets retain their electronic properties and show a high current modulation of 104 at room temperature in field-effect transistor devices. The proposed technique provides semiconducting phosphorene thin films that are amenable for large area applications.
Correction: Corrigendum: How Tissue Mechanical Properties Affect Enteric Neural Crest Cell Migration
Authors: Chevalier N. R. , Gazquez E. , Bidault L. , Guilbert T. , Vias C. , Vian E. , Watanabe Y. , Muller L. , Germain S. , Bondurand N. , Dufour S. , Fleury V.
Published: September 2016

Scientific Reports 6: Article number: 20927; published online: 18 February 2016; updated: 23 September 2016 The original version of this Article contained a typographical error in the spelling of the author E. Gazquez, which was incorrectly given as E. Gazguez. This has now been corrected in the PDFand HTML versions of the Article.
The brain, obesity and addiction: an EEG neuroimaging study
Authors: De Ridder Dirk , Manning Patrick , Leong Sook Ling , Ross Samantha , Sutherland Wayne , Horwath Caroline , Vanneste Sven
Published: September 2016

Obesity is among the greatest challenges facing healthcare systems with 20% of the world’s population afflicted. Great controversy exists whether obesity can be regarded as an addictive disorder or not. Recently the Yale Food Addiction Scale questionnaire has been developed as a tool to identify individuals with traits of addiction towards food. Using clinical and source localized EEG data we dichotomize obesity. Brain activity in food-addicted and non-food-addicted obese people is compared to alcohol-addicted and non-addicted lean controls. We show that food addiction shares common neural brain activity with alcohol addiction. This ‘addiction neural brain activity’ consists of the dorsal and pregenual anterior cingulate cortex, parahippocampal area and precuneus. Furthermore, common neural obesity neural brain activity exists as well. The ‘obesity neural brain activity’ consists of dorsal and pregenual anterior cingulate cortex, posterior cingulate extending into the precuneus/cuneus as well as the parahippocampal and inferior parietal area. However food-addicted differ from non-food-addicted obese people by opposite activity in the anterior cingulate gyrus. This food addiction and non-food-addiction obesity dichotomy demonstrates there is at least 2 different kinds of obesity with overlapping network activity, but different in anterior cingulate cortex activity.
Enhanced superconductivity in aluminum-based hyperbolic metamaterials
Authors: Smolyaninova Vera N. , Jensen Christopher , Zimmerman William , Prestigiacomo Joseph C. , Osofsky Michael S. , Kim Heungsoo , Bassim Nabil , Xing Zhen , Qazilbash Mumtaz M. , Smolyaninov Igor I.
Published: September 2016

One of the most important goals of condensed matter physics is materials by design, i.e. the ability to reliably predict and design materials with a set of desired properties. A striking example is the deterministic enhancement of the superconducting properties of materials. Recent experiments have demonstrated that the metamaterial approach is capable of achieving this goal, such as tripling the critical temperature TC in Al-Al2O3 epsilon near zero (ENZ) core-shell metamaterial superconductors. Here, we demonstrate that an Al/Al2O3 hyperbolic metamaterial geometry is capable of a similar TC enhancement, while having superior transport and magnetic properties compared to the core-shell metamaterial superconductors.
A novel animal model for skin flap prelamination with biomaterials
Authors: Zhou Xianyu , Luo Xusong , Liu Fei , Gu Chuan , Wang Xi , Yang Qun , Qian Yunliang , Yang Jun
Published: September 2016

Several animal models of skin flap construction were reported using biomaterials in a way similar to prefabrication. However, there are few animal model using biomaterials similar to prelamination, another main way of clinical skin flap construction that has been proved to be reliable. Can biomaterials be added in skin flap prelamination to reduce the use of autogenous tissues? Beside individual clinical attempts, animal model is needed for randomized controlled trial to objectively evaluate the feasibility and further investigation. Combining human Acellular Dermal Matrix (hADM) and autologous skin graft, we prelaminated flaps based on inguinal fascia. One, two, three and four weeks later, hADM exhibited a sound revascularization and host cell infiltration. Prelaminated skin flaps were then raised and microsurgically transplanted back to groin region. Except for flaps after one week of prelamination, flaps from other subgroups successfully reconstructed defects. After six to sixteen weeks of transplantation, hADM was proved to being able to maintain its original structure, having a wealth of host tissue cells and achieving full revascularization.To our knowledge, this is the first animal model of prelaminating skin flap with biomaterials. Success of this animal model indicates that novel flap prelamination with biomaterials is feasible.
Promoting oxygen vacancy formation and p-type conductivity in SrTiO3via alkali metal doping: a first principles study
Authors: Triggiani Leonardo , Muñoz-García Ana B. , Agostiano Angela , Pavone Michele
Published: September 2016

DFT calculations suggest the potential use of Na- and K-doped SrTiO3as new materials in nano-heterogeneous electrodes for solid oxide electrochemical cells.
Evaluation of bis-cyclometalated alkynylgold(iii) sensitizers for water photoreduction to hydrogen
Authors: Yu Zhen-Tao , Liu Xiao-Le , Yuan Yong-Jun , Li Yong-Hui , Chen Guang-Hui , Zou Zhi-Gang
Published: September 2016

Gold(iii) acetylide complexes actively catalyzed the light-driven evolution of hydrogen in water when using [Co(2,2′-bipyridine)3]Cl2 or [Rh(4,4′-di-tert-butyl-2,2′-bipyridine)3](PF6)3 as a H2-evolved catalyst.
Three and four coordinate Fe carbodiphosphorane complexes
Authors: Pranckevicius Conor , Iovan Diana A. , Stephan Douglas W.
Published: September 2016

Carbodiposphoranes (CDPs) are a family of divalent carbon ligands that are known for their exceptional electron donor properties. Herein, three coordinate Fe complexes of such ligands are reported.
Cleavage of the lignin β-O-4 ether bond via a dehydroxylation–hydrogenation strategy over a NiMo sulfide catalyst
Authors: Zhang Chaofeng , Lu Jianmin , Zhang Xiaochen , MacArthur Katherine , Heggen Marc , Li Hongji , Wang Feng
Published: September 2016

Herein, we present an efficient dehydroxylation–hydrogenation strategy for the lignin β-O-4 model compounds’ transformation over a NiMo sulfide catalyst.
Correction: A sustainable lignocellulosic biodiesel production integrating solar- and bio-power generation
Authors: Zanotti Michael , Ruan Zhenhua , Bustamante Mauricio , Liu Yan , Liao Wei
Published: September 2016

Correction for ‘A sustainable lignocellulosic biodiesel production integrating solar- and bio-power generation’ by Michael Zanotti, et al., Green Chem., 2016, 18, 5059–5068.
Synthesis and pharmacological evaluation of conformationally restricted κ-opioid receptor agonists
Authors: Wenker Yvonne , Soeberdt Michael , Daniliuc Constantin , Ständer Sonja , Schepmann Dirk , Wünsch Bernhard
Published: September 2016

Additional N- and O-atoms in the bicyclic scaffold increase polarity and allow fine tuning of pharmacodynamic and pharmacokinetic properties of novel κ agonists.
Allylboration as a versatile tool for the in situ post-polymerization functionalization of 1,4-cis-poly(butadiene)
Authors: Leicht Hannes , Huber Steffen , Göttker-Schnetmann Inigo , Mecking Stefan
Published: September 2016

Allylboration is a versatile and robust tool for the one-pot, catalyst free post-polymerization functionalization of novel borylated 1,4-cis-poly(butadiene) from insertion copolymerization.
Dilute manganese-doped ZnO nanowires for high photoelectrical performance
Authors: Chen Wei-Hao , Su Chih-Chuan , Hsieh Hui-Huang , Chang Meng-Fan , Ho Mon-Shu
Published: September 2016

This study developed dilute manganese-doped ZnO (D-(Zn,Mn)O) nanowires using a low temperature hydrothermal method.
Facile preparation of a novel SnO2@UiO-66/rGO hybrid with enhanced photocatalytic activity under visible light irradiation
Authors: Zhao Xiaohua , Liu Xiang , Zhang Zhenya , Liu Xin , Zhang Wei
Published: September 2016

An effective ternary composite of SnO2@UiO-66/rGO was designed and synthesized.
Biodegradable pH-sensitive polyurethane micelles with different polyethylene glycol (PEG) locations for anti-cancer drug carrier applications
Authors: Yao Yongchao , Xu Deqiu , Liu Chang , Guan Yayuan , Zhang Jiya , Su Yuling , Zhao Lili , Meng Fancui , Luo Jianbin
Published: September 2016

Biodegradable pH sensitive polyurethane micelles with a dense brush like coating of PEG were prepared. The PTX-loaded PEG-g-PU-3 micelles exhibited potent cytotoxicity against H460 cancer cells compared to PEG-b-PU-3 and PEG-c-PU-3 micelles.
Graphitic carbon nitride nanosheets with tunable optical properties and their superoxide dismutase mimetic ability
Authors: Ren Xiangling , Meng Xianwei , Ren Jun , Tang Fangqiong
Published: September 2016

Graphitic carbon nitride nanosheets with tunable optical properties are synthesized through a solid-phase method and possess intrinsic superoxide dismutase-like activity.
Ambient air-processed mixed-ion perovskites for high-efficiency solar cells
Authors: Sveinbjörnsson Kári , Aitola Kerttu , Zhang Jinbao , Johansson Malin B. , Zhang Xiaoliang , Correa-Baena Juan-Pablo , Hagfeldt Anders , Boschloo Gerrit , Johansson Erik M. J.
Published: September 2016

A mixed-ion (FAPbI3)1−x(MAPbBr3)x perovskite solar cell was prepared under ambient conditions with an average efficiency of 17.6%.
Small magnetic Co-doped NiZn ferrite/graphene nanocomposites and their dual-region microwave absorption performance
Authors: Liu Peijiang , Yao Zhengjun , Zhou Jintang , Yang Zhihong , Kong Ling Bing
Published: September 2016

In this study, novel Co-doped Ni–Zn ferrite/graphene nanocomposites were synthesized, which exhibited tunable microwave absorption capability, with dual-region absorption performance that can be well attributed to the synergistic effect of both dielectric and magnetic losses.
The role of Drp1 adaptor proteins MiD49 and MiD51 in mitochondrial fission: implications for human disease
Authors: Atkins Kathleen , Dasgupta Asish , Chen Kuang-Hueih , Mewburn Jeff , Archer Stephen L.
Published: September 2016

Mitochondrial morphology is governed by the balance of mitochondrial fusion, mediated by mitofusins and optic atrophy 1 (OPA1), and fission, mediated by dynamin-related protein 1 (Drp1). Disordered mitochondrial dynamics alters metabolism, proliferation, apoptosis and mitophagy, contributing to human diseases, including neurodegenerative syndromes, pulmonary arterial hypertension (PAH), cancer and ischemia/reperfusion injury. Post-translational regulation of Drp1 (by phosphorylation and SUMOylation) is an established means of modulating Drp1 activation and translocation to the outer mitochondrial membrane (OMM). This review focuses on Drp1 adaptor proteins that also regulate fission. The proteins include fission 1 (Fis1), mitochondrial fission factor (Mff) and mitochondrial dynamics proteins of 49 kDa and 51 kDa (MiD49, MiD51). Heterologous MiD overexpression sequesters inactive Drp1 on the OMM, promoting fusion; conversely, increased endogenous MiD creates focused Drp1 multimers that optimize OMM scission. The triggers that activate MiD-bound Drp1 in disease states are unknown; however, MiD51 has a unique capacity for ADP binding at its nucleotidyltransferase domain. Without ADP, MiD51 inhibits Drp1, whereas ADP promotes MiD51-mediated fission, suggesting a link between metabolism and fission. Confusion over whether MiDs mediate fusion (by sequestering inactive Drp1) or fission (by guiding Drp1 assembly) relates to a failure to consider cell types used and to distinguish endogenous compared with heterologous changes in expression. We speculate that endogenous MiDs serve as Drp1-binding partners that are dysregulated in disease states and may be important targets for inhibiting cell proliferation and ischemia/reperfusion injury. Moreover, it appears that the composition of the fission apparatus varies between disease states and amongst individuals. MiDs may be important targets for inhibiting cell proliferation and attenuating ischemia/reperfusion injury.
Calculating vibrational spectra of molecules using tensor train decomposition
Authors: Rakhuba Maxim , Oseledets Ivan
Published: September 2016

We propose a new algorithm for calculation of vibrational spectra of molecules using tensor train decomposition. Under the assumption that eigenfunctions lie on a low-parametric manifold of low-rank tensors we suggest using well-known iterative methods that utilize matrix inversion (locally optimal block preconditioned conjugate gradient method, inverse iteration) and solve corresponding linear systems inexactly along this manifold. As an application, we accurately compute vibrational spectra (84 states) of acetonitrile molecule CH3CN on a laptop in one hour using only 100 MB of memory to represent all computed eigenfunctions.
Electronic spectrum of jet cooled SiCN
Authors: Fukushima Masaru , Ishiwata Takashi
Published: September 2016

We have generated SiCN in a supersonic free expansion, and measured the laser induced fluorescence (LIF) spectrum. Prior to the experiments, ab initio calculations were carried out to obtain the information necessary for searching for the LIF signals. In addition to the X̃ 2Π state, the optimized structures of three excited states, 2Δ, 2Σ+, and 2Σ−, have been obtained. Guided by the predictions, the LIF excitation spectrum of SiCN was observed in the UV region. The rotational structure of the 000 band with the origin, 29 261.639 cm−1, indicated that the electronic transition is Ã 2Δ–X̃ 2Π. The spin-orbit (SO) constants of the X̃ 2Π and Ã 2Δ states were determined to be 140.824 and 4.944 cm−1, respectively. In the Ã 2Δ state, the Fermi resonance between the (0, 20, 0) 2Δ and (0, 00, 1) 2Δ vibronic levels was identified. The molecular constants of the X̃ 2Π state were determined through the simultaneous analysis of the combination differences derived from the present LIF data with the previously reported rotational transitions. The spectroscopic parameters of the Ã 2Δ state were also obtained from the analysis where the constants of the X̃ 2Π state, derived above, were fixed at those values.
Chimera and chimera-like states in populations of nonlocally coupled homogeneous and heterogeneous chemical oscillators
Authors: Nkomo Simbarashe , Tinsley Mark R. , Showalter Kenneth
Published: September 2016

Chimera and chimera-like states are characterized in populations of photochemically coupled Belousov–Zhabotinsky (BZ) oscillators. Simple chimeras and chimera states with multiple and traveling phase clusters, phase-slip behavior, and chimera-like states with phase waves are described. Simulations with a realistic model of the discrete BZ system of populations of homogeneous and heterogeneous oscillators are compared with each other and with experimental behavior.
Critical remarks on Sokolov's equation of the dynamics of a radiating electron
Authors: Zot'ev D. B.
Published: September 2016

In the article by Sokolov [J. Exp. Theor. Phys. 109(2), 207 (2009)], the so-called renormalization of the Lorentz-Abraham-Dirac (LAD) equation was proposed. The latter describes the motion of an electron in the electromagnetic field in consideration of the radiation reaction. In many articles of Sokolov and his colleagues, this model is promoted as more appropriate one when an electron is under the effect of a super-strong laser field. In this article, it is shown that such assertions are baseless and the physical importance of this model is vastly overestimated. Sokolov's equation suffers from numerous drawbacks arising from the fact that it represents not modified but distorted LAD. In particular, superluminal paradoxes arise in the framework of this model.
On double wave discontinuities in fluids and plasmas
Authors: Miri Nasrin , Eshraghi Homayoon , Sahihi Taliya
Published: September 2016

Simple waves and double waves as exact solutions of quasilinear hyperbolic equations in hydrodynamics may blow up, and, so, generally, there are points at which these solutions are violated at some definite instants of time. Finding the first instant of time for the violation of a simple wave solution is a known method, while this problem for the double waves is not a well defined and an easy task. Here, a two and a three dimensional double wave solutions are reviewed for some hydrodynamical systems to show that, for the 2-D case for some special solutions, one can find a local minimum for the critical time, while for some other solutions not. For the 3-D case, generically, there is no local minimum for the critical time, but at very special situations, the local minimum critical times may exist. Moreover, the dynamics of critical curves and points are briefly discussed.
The perturbative approach to path integrals: A succinct mathematical treatment
Authors: Nguyen Timothy
Published: September 2016

We study finite-dimensional integrals in a way that elucidates the mathematical meaning behind the formal manipulations of path integrals occurring in quantum field theory. This involves a proper understanding of how Wick’s theorem allows one to evaluate integrals perturbatively, i.e., as a series expansion in a formal parameter irrespective of convergence properties. We establish invariance properties of such a Wick expansion under coordinate changes and the action of a Lie group of symmetries, and we use this to study essential features of path integral manipulations, including coordinate changes, Ward identities, Schwinger-Dyson equations, Faddeev-Popov gauge-fixing, and eliminating fields by their equation of motion. We also discuss the asymptotic nature of the Wick expansion and the implications this has for defining path integrals perturbatively and nonperturbatively.
Can we approach the gas–liquid critical point using slab simulations of two coexisting phases?
Authors: Goujon Florent , Ghoufi Aziz , Malfreyt Patrice , Tildesley Dominic J.
Published: September 2016

In this paper, we demonstrate that it is possible to approach the gas–liquid critical point of the Lennard-Jones fluid by performing simulations in a slab geometry using a cut-off potential. In the slab simulation geometry, it is essential to apply an accurate tail correction to the potential energy, applied during the course of the simulation, to study the properties of states close to the critical point. Using the Janeček slab-based method developed for two-phase Monte Carlo simulations [J. Janec̆ek, J. Chem. Phys. 131, 6264 (2006)], the coexisting densities and surface tension in the critical region are reported as a function of the cutoff distance in the intermolecular potential. The results obtained using slab simulations are compared with those obtained using grand canonical Monte Carlo simulations of isotropic systems and the finite-size scaling techniques. There is a good agreement between these two approaches. The two-phase simulations can be used in approaching the critical point for temperatures up to 0.97 TC∗ (T∗ = 1.26). The critical-point exponents describing the dependence of the density, surface tension, and interfacial thickness on the temperature are calculated near the critical point.
Mechanisms of site-specific photochemistry following core-shell ionization of chemically inequivalent carbon atoms in acetaldehyde (ethanal)
Authors: Zagorodskikh Sergey , Eland John H. D. , Zhaunerchyk Vitali , Mucke Melanie , Squibb Richard J. , Linusson Per , Feifel Raimund
Published: September 2016

Site-specific fragmentation upon 1s photoionisation of acetaldehyde has been studied using synchrotron radiation and a multi-electron-ion coincidence technique based on a magnetic bottle. Experimental evidence is presented that bond rupture occurs with highest probability in the vicinity of the initial charge localisation and possible mechanisms are discussed. We find that a significant contribution to site-specific photochemistry is made by different fragmentation patterns of individual quantum states populated at identical ionisation energies.
High-k ZrO2/Al2O3 bilayer on hydrogenated diamond: Band configuration, breakdown field, and electrical properties of field-effect transistors
Authors: Liu J. W. , Liao M. Y. , Imura M. , Koide Y.
Published: September 2016

A band configuration of a high-k ZrO2/Al2O3 bilayer on hydrogenated diamond (H-diamond), a breakdown field (EB) of the ZrO2/Al2O3 bilayer, and an effect of gate-drain distance (dG-D) on electrical properties of ZrO2/Al2O3/H-diamond metal-insulator-semiconductor field-effect transistors (MISFETs) have been investigated. The Al2O3 and ZrO2 layers are successively deposited on H-diamond by atomic layer deposition (ALD) and sputtering-deposition (SD) techniques, respectively. The thin ALD-Al2O3 buffer layer with 4.0 nm thickness plays a role in protecting the H-diamond surface from being damaged by the plasma discharge during SD-ZrO2 deposition. The ZrO2/Al2O3 heterojunction has a type I band structure with valence and conduction band offsets of 0.6 ± 0.2 and 1.0 ± 0.2 eV, respectively. The valence band offset between ZrO2 and H-diamond is deduced to be 2.3 ± 0.2 eV. The EB of the ZrO2/Al2O3 bilayer is measured to be 5.2 MV cm−1, which is larger than that of the single ZrO2 layer due to the existence of the ALD-Al2O3 buffer layer. The dependence of dG-D on drain-source current maximum (IDS,max), on-resistance (RON), threshold voltage (VTH), and extrinsic transconductance maximum (gm,max) of the MISFETs has been investigated. With increasing dG-D from 4 to 18 μm, the absolute IDS,max decreases from 72.7 to 40.1 mA mm−1, and the RON increases linearly from 83.3 ± 5 to 158.7 ± 5 Ω mm. Variation of VTH values of around 1.0 V is observed, and the gm,max is in the range between 8.0 ± 0.1 and 13.1 ± 0.1 mS mm−1.
The effect of vacuum ultraviolet irradiation on the time-dependent dielectric breakdown of organosilicate dielectrics
Authors: Pei D. , Xue P. , Li W. , Guo X. , Lin Y. H. , Fung H. S. , Chen C. C. , Nishi Y. , Shohet J. L.
Published: September 2016

In this work, the effect of vacuum ultraviolet (VUV) exposure on the time-dependent dielectric breakdown (TDDB) properties of porous low-k films was investigated. Synchrotron irradiation was used to simulate the VUV photon irradiation from processing plasmas without any particle flux. The synchrotron flux varies with the wavelength, so the irradiation time was chosen to produce the same fluence at various photon energies. The deterioration of TDDB and generation of negative mobile charge were observed in the film after exposure to the VUV photons with 9 eV or higher energy. These effects were not observed in the films exposed with 7-eV photon energies or less. The creation of paramagnetic defects was observed with the ESR measurement and believed to be the reason for TDDB degradation. Depletion of carbon and breakage and rearrangement of the Si-O-Si structure were observed and believed to be the reason for mobile charge generation and the change in TDDB, chemical, and mechanical properties.
Geometries of low spin states of multi-centre transition metal complexes through extended broken symmetry variational Monte Carlo
Authors: Barborini Matteo , Guidoni Leonardo
Published: September 2016

The correct description of the ground state electronic and geometrical properties of multi-centre transition metal complexes necessitates of a high-level description of both dynamical and static correlation effects. In di-metallic complexes, the ground state low spin properties can be computed starting from single-determinants High-Spin (HS) and Broken Symmetry (BS) states by reconstructing an approximated low spin potential energy surface through the extended broken symmetry approach, based on the Heisenberg Hamiltonian. In the present work, we first apply this approach within the variational Monte Carlo method to tackle the geometry optimization of a Fe2S2(SH)42− model complex. To describe the HS and BS wavefunctions, we use a fully optimized unrestricted single determinant with a correlated Jastrow factor able to recover a large amount of dynamical correlation. We compared our results with those obtained by density functional theory and other multiconfigurational approaches, discussing the role of the nodal surface on the structural parameters.
First-principles-based simulation of interlayer water and alkali metal ions in weathered biotite
Authors: Ikeda Takashi
Published: September 2016

We performed first-principles-based simulations of weathered biotites (WBs) including alkali metal ions to investigate the adsorption states of interlayer cations and the cation/water distribution in their interlayer. Our simulations suggest that the inclusion of Fe3+ ions in octahedral sheets of WBs alters significantly the vibrational states, the adsorption states of alkali ions, and the cation/water distribution in our WBs. The Al–O bond cleavage suggested to occur in Fe3+-rich regions of WBs upon the H2O adsorption on Al3+ in tetrahedral sheets enhances greatly the dipole moment of adsorbed H2O molecules, thus enhancing the preference for aggregating inner-sphere complexes of heavy alkali ions particularly Cs+.
A simulation of gas flow: The dependence of the tangential momentum accommodation coefficient on molecular mass
Authors: Lim William W. , Suaning Gregg J. , McKenzie David R.
Published: September 2016

The tangential momentum accommodation coefficient (TMAC) influences the rate of pressure driven flow of a gas in a channel. The manner in which TMAC depends on the molecular mass is of importance as it influences the extent to which gas flow rates are affected by their mass, but there are conflicting opinions in the literature concerning the extent and even the sign of this dependence. We simulate the flow of the noble gases He, Ne, Ar, Kr, and Xe using molecular dynamics with Lennard-Jones potentials. The interaction with the wall is made realistic by simulating five layers of mobile atoms and allowing for adsorbed gas on the wall. With increasing mass of the gas, the TMAC exhibits asymptotic behaviour in approaching the value assumed to apply for an entrapped atom. Either increasing or decreasing TMAC with respect to an increasing molecular mass is produced, depending on the assumed TMAC of an entrapped atom. This resolves a conflict in the literature, where both increasing and decreasing trends are observed with mass.
Microvessel manifold for perfusion and media exchange in three-dimensional cell cultures
Authors: Roberts Steven A. , DiVito Kyle A. , Ligler Frances S. , Adams André A. , Daniele Michael A.
Published: September 2016

Integrating a perfusable microvasculature system in vitro is a substantial challenge for “on-chip” tissue models. We have developed an inclusive on-chip platform that is capable of maintaining laminar flow through porous biosynthetic microvessels. The biomimetic microfluidic device is able to deliver and generate a steady perfusion of media containing small-molecule nutrients, drugs, and gases in three-dimensional cell cultures, while replicating flow-induced mechanical stimuli. Here, we characterize the diffusion of small molecules from the perfusate, across the microvessel wall, and into the matrix of a 3D cell culture.
Wave energy conversion of oscillating water column devices including air compressibility
Authors: Sheng Wanan , Lewis Anthony
Published: September 2016

This paper presents an investigation on air compressibility in the air chamber and its effects on the power conversion of oscillating water column (OWC) devices. As it is well known that for practical OWC plants, their air chambers may be large enough for accommodating significant air compressibility, the “spring effect,” an effect that is frequently and simply regarded to store and release energy during the reciprocating process of a wave cycle. Its insight effects on the device's performance and power conversion, however, have not been studied in detail. This research will investigate the phenomena with a special focus on the effects of air compressibility on wave energy conversion. Air compressibility itself is a complicated nonlinear process in nature, but it can be linearised for numerical simulations under certain assumptions for frequency domain analysis. In this research work, air compressibility in the OWC devices is first linearised and further coupled with the hydrodynamics of the OWC. It is able to show mathematically that in frequency-domain, air compressibility can increase the spring coefficients of both the water body motion and the device motion (if it is a floating device), and enhance the coupling effects between the water body and the structure. Corresponding to these changes, the OWC performance, the capture power, and the optimised Power Take-off (PTO) damping coefficient in the wave energy conversion can be all modified due to air compressibility. To validate the frequency-domain results and understand the problems better, the more accurate time-domain simulations with fewer assumptions have been used for comparison. It is shown that air compressibility may significantly change the dynamic responses and the capacity of converting wave energy of the OWC devices if the air chamber is very large.
A novel fast mutable duty (FMD) MPPT technique for solar PV system with reduced searching area
Authors: Husain Mohammed Aslam , Jain Abhinandan , Tariq Abu
Published: September 2016

In this paper, a novel maximum power point (MPP) tracking technique for photovoltaic system (PV) with fast convergence speed and reduced range for the MPP search operation is presented. The characteristic of this method is the limited searching area/range for the tracking. The adaptable variable duty step used in the proposed method instantaneously brings the operating point close to the MPP, thus bounding the searching area. The value of duty gets updated according to the panel temperature and irradiance, and the operating point always remains close to the MPP. By bounding the search operation, the overall tracking speed and efficiency of the tracking increase. Further enhancement of the tracking speed is obtained by varying the step size of duty ratio of the DC-DC converter used; this is done in such a manner that the size of variable duty step is large for the points far away from MPP and becomes very small at or near MPP. The projected tracking algorithm is compared with conventional Perturb and Observe MPPT method in diverse irradiance and temperature conditions, and evaluation of the proposed tracking method is reported. Finally, field performance of the proposed method has been done by using a 250 W PV system. Arduino Uno microcontroller board is used for controlling the duty of the DC-DC converter. Results obtained from the hardware implementation have been presented and is concluded that the method has fast tracking capability and better efficiency. To sum up, overall performance of the proposed Fast Mutable Duty MPP Tracking technique is appreciable.
Sensitivity and trend analysis of carbon emissions embodied in China's international trade with input-output technique and nonhomogeneous exponential growth model
Authors: Shang Wei , Pei Guifen , Meng Ming , Niu Dongxiao
Published: September 2016

This paper provides a quantitative analysis of the sensitivity, amount, and the development trend of carbon emissions embodied in China's international trade. With the input-output technique, nonhomogeneous exponential growth model, and carbon transmission-relative data, the following conclusions were drawn: (a) The total (direct and indirect) carbon intensity of each industrial sector was measured. Of all the 27 industrial sectors, Production and Supply of Electric Power and Heat Power ranks first. Because of the large consumption of electric power by nearly all the industrial sectors, encouraging the electric power sectors to utilize non-fossil energy (especially wind and photovoltaics), to improve the generation efficiency, and to import electric power overseas is crucial for decreasing the overall level of China's carbon intensity. (b) The amount of carbon transmission embodied in exports and imports of each industrial sector was also measured. Owing to its enormous international trade values, the sector of Manufacture of Electrical Machinery and Equipment ranks first, with absolute predominance in both exports and imports. Adjusting China's industrial policy to decrease the net export of this sector would significantly reduce the amount of net carbon transmission in the country. (c) The future net carbon transmission of each industrial sector was forecasted. Trend analysis indicates that changes in the overall international trade situation would cause the carbon transmission amount embodied in exports in China to become less than that embodied in imports since 2015.
Saliva protein biomarkers to detect oral squamous cell carcinoma in a high-risk population in Taiwan
Authors: Yu Jau-Song , Chen Yi-Ting , Chiang Wei-Fan , Hsiao Yung-Chin , Chu Lichieh Julie , See Lai-Chu , Wu Chi-Sheng , Tu Hui-Tzu , Chen Hsiao-Wei , Chen Chia-Chun , Liao Wei-Chao , Chang Ya-Ting , Wu Chih-Ching , Lin Che-Yi , Liu Shyun-Yeu , Chiou Shu-Ti , Chia Shu-Li , Chang Kai-Ping , Chien Chih-Yen , Chang Su-Wei , Chang Chee-Jen , Young John D. , Pao Chia C. , Chang Yu-Sun , Hartwell Leland H.
Published: September 2016

Significance

Oral squamous cell carcinoma (OSCC) accounts for 90% of oral cancers, and earlier detection efficiently increases the survival rate. Here, we used a comprehensive literature review to select candidates and used LC-multiple reaction monitoring-MS to qualitatively and quantitatively measure target proteins in saliva samples from individuals of the at-risk population in Taiwan. Statistical analysis of the results establishes a four-protein panel sufficient to detect 88.6% of early-stage patients and 91.6% of all patients with 80.4% specificity. This panel can also be used to evaluate the risk of malignant progression from high-risk oral potential malignant disorder. Our study offers a practical foundation for clinical trials examining the ability of this panel to enable early detection of OSCC, risk assessment for cancer development, and treatment monitoring.
Host specificity in parasitic plants—perspectives from
mistletoes
Authors: Okubamichael Desale Y. , Griffiths Megan E. , Ward David
Published: September 2016

Host specificity has been investigated for centuries in mistletoes, viruses, insects, parasitoids, lice and flukes, yet it is poorly understood. Reviewing the numerous studies on mistletoe host specificity may contribute to our understanding of these plants and put into context the dynamics at work in root parasitic plants and animal parasites. The mechanisms that determine host specificity in mistletoes are not as well documented and understood as those in other groups of parasites. To rectify this, we synthesized the available literature and analyzed data compiled from herbaria, published monographs and our own field studies in South Africa. As for other groups of parasites, multiple factors influence mistletoe host specificity. Initially, pollination affects gene flow. Subsequently, seed dispersal vectors (birds and marsupials), host abundance and compatibility (genetic, morphological, physiological and chemical), history and environmental conditions affect the interaction of mistletoes and their hosts and determine host specificity. Mistletoe–host network analyses and a geographic mosaic approach combined with long-term monitoring of reciprocal transplant experiments, genetic analyses of confined mistletoe populations and comparative phylogenetic studies could provide further insights to our understanding of host specificity. Some of these approaches have been used to study animal–plant interactions and could be adopted to test and evaluate host specificity in mistletoes at local and larger geographic scales.
Extremely fast orbital decay of the black hole X-ray binary Nova Muscae 1991
Authors: González Hernández J. I. , Suárez-Andrés L. , Rebolo R. , Casares J.
Published: September 2016

We present new medium-resolution spectroscopic observations of the black hole X-ray binary Nova Muscae 1991 taken with X-Shooter spectrograph installed at the 8.2-m VLT telescope. These observations allow us to measure the time of inferior conjunction of the secondary star with the black hole in this system that, together with previous measurements, yield an orbital period decay of $\skew4\dot{P}=-20.7\pm 12.7$ ms yr−1 (−24.5 ± 15.1 μs per orbital cycle). This is significantly faster than those previously measured in the other black hole X-ray binaries A0620-00 and XTE J1118+480. No standard black hole X-ray binary evolutionary model is able to explain this extremely fast orbital decay. At this rate, the secondary star would reach the event horizon (as given by the Schwarzschild radius of about 32 km) in roughly 2.7 Myr. This result has dramatic implications on the evolution and lifetime of black hole X-ray binaries.
Development of cross-correlation spectrometry and the coherent structures of maser sources
Authors: Takefuji Kazuhiro , Imai Hiroshi , Sekido Mamoru
Published: September 2016

We have developed a new method of data processing for radio telescope observation data to measure time-dependent temporal coherence, and we have named it “cross-correlation spectrometry” (XCS). XCS is an autocorrelation procedure that expands time lags over the integration time and is applied to data obtained from a single-dish observation. The temporal coherence property of received signals is enhanced by XCS. We tested the XCS technique using the data of strong H2O masers in W 3 (H2O), W 49 N, and W 75 N. We obtained the temporal coherent lengths of the maser emission to be 17.95 ± 0.33 μs, 26.89 ± 0.49 μs, and 15.95 ± 0.46 μs for W 3 (H2O), W 49 N, and W 75 N, respectively. These results may indicate the existence of a coherent astrophysical maser.
Teaching Third Year Medical Students Communication and Empathy Skills: Be Explicit and Use Examples
Authors: Toy Eugene , Ownby Allison , Hamburger Marcelle , Hsieh Peggy , Hormann Mark , Butler Patricia
Published: September 2016

BACKGROUND:

Physician communication and interpersonal skills (CIS) are increasingly recognized as important to patient care and patient satisfaction. To enhance our medical students' competence in this area, a 2-hour workshop was developed.

METHODS:

Over two consecutive days, third year medical students participated in a 2 hours workshop on interpersonal and communication skills (40-minute lecture, 80-minute standardized patient [SP] encounters). Lecture content was identical during the 2 days with the exception of two slides relating to empathy: on day 1, the empathy queries and statements were described generally with one example of each, whereas on day 2, five examples of specific questions and statements of empathy were provided. After the lecture, participants were directed to predetermined groups of four students to one SP. Each student was assigned a different patient scenario, and allowed 10 minutes to elicit a history. Standardized CIS assessment forms were filled out by the student interviewer (self-assessment), the other students in the group (peer assessment), and the SP. feedback was given after each students' encounter with the SP within their group.

RESULTS:

A total of 237 students consented to participate in the study. The demographics for day 1 and day 2 students were similar. Day 2 students scored better on the standardized patient CIS average cumulative scores (32.0±5.4 versus 28.3±6.2, P<.001), pass rate (78.0% versus 46.5%, P<.001), and proportion attaining exemplary status (27.6% versus 9.6%, P<.01). There were no differences in mean SP rated CIS scores within the day 1 subgroups or day 2 subgroups.

DISCUSSION:

Explicit and multiple examples of empathy queries and statements may be a key curricular component for teaching medical students and leads to improved communication and empathy scores.
A Perceptual Adaptive Learning Module Results in Improved Fetal Heart Rate Categorization
Authors: Wong Melissa , Krasne Sally
Published: September 2016

BACKGROUND:

No published studies have evaluated the best method of teaching FHR interpretation. The PALM has been shown to improve learning in skills which require pattern recognition.

METHODS:

All subjects underwent a pretest and received a basic FHR physiology lecture. The subjects were then either exposed to the PALM or to additional lecture time reviewing the details of FHR categorization. All subjects then took a posttest, delayed test 6 weeks later, and survey.

RESULTS:

Sixteen subjects completed the PALM module and 19 were assigned to additional lecture. Only the PALM showed significant improvement in accuracy and fluency from the pretest to posttest (accuracy 35% versus 71%, P<.05; fluency 27% versus 65%, P<.05). Both interventions showed significant improvement in accuracy and fluency on the delayed test reflecting learning throughout the rotation. However, the PALM showed a significantly greater improvement as compared to the lecture group in both the posttest (accuracy 71% versus 47%, P<.05; fluency 65% versus 31%, P<.05) and the delayed test (fluency 58% versus 41%, P=.05).

DISCUSSION:

The PALM resulted in more accurate and fluent categorization of FHR tracings compared to traditional lecture methods, and the effect persisted on delayed testing.
A Regional Resident Readiness Course to Facilitate the Transition From Student to Doctor
Authors: Yu Hope , Evans Katherine , Hampton Brittany , Baecher-Lind Laura , Everett Elise
Published: September 2016

BACKGROUND:

Given the variability in fourth year medical student experiences, educators are concerned that students are not equally prepared for internship. RRCs, or “bootcamps,” improve participant confidence and skills. For many medical schools, the low number of students entering Ob/Gyn does not justify investing in resources needed for a RRC. Institutional collaboration allows for resource consolidation, inter-professional education, and teaching innovation.

METHODS:

A 2-week curriculum was designed to meet M1 and CEPA objectives. The RRC included lecture, case- and team-based activities, and simulation training. Enrollees included thirteen fourth-year medical students from three New England medical schools. Before and after the curriculum, students rated their confidence in meeting M1 and CEPA objectives and completed the APGO Knowledge Assessment Test. Quantitative data were analyzed via Wilcoxon Rank-Sum tests (P<.05). Curricular sessions were evaluated on a 10-point Likert scale for speaker engagement, knowledge, and organization, as well as relevance to training.

RESULTS:

Participants were more confident in their capacity to meet M1 and CEPA objectives in 35 of 37 domains. Their confidence in technical abilities improved in 35 of 35 skills. They were more confident in their ability to balance work with personal life, teach students, provide feedback, and deliver hand-offs. The pre- and post-RRC APGO Knowledge Test means were 71±10 (N=12), and 76±7 (N=5), respectively. Qualitative assessment of curricular sessions was consistently positive, averaging >9/10 in all metrics.

DISCUSSION:

In addition to our RRC being successful in terms of multi-institutional collaboration, it also proved highly efficacious in enhancing the knowledge, technical skills, and confidence of participants. Statistical significance in APGO Knowledge Test results may have been achieved with a larger sample size, as M1 and CEPA ratings almost universally improved. Future measurements include polling residency directors regarding performance of residents and collecting confidence and medical knowledge ratings from participants throughout their internship. A multi-institutional RRC provides substantial benefit to medical students transitioning to residency. This has implications for the development of such programs on a national scale.
A Systematic Review of Randomized Controlled Trials in Obstetrics and Gynecology Medical Education
Authors: Dagdag Ariana , Deak Pamela , Huang Sherry , LaCoursiere D. Yvette
Published: September 2016

BACKGROUND:

The volume of Ob-Gyn MedEd research is steadily increasing. Systematic reviews of Ob-Gyn MedEd research are limited and no comprehensive systematic review of RCTs has been completed.

METHODS:

A literature search encompassing Ob-Gyn MedEd RCTs published between January 2000 and July 2015 was performed. MEDLINE database and author references were searched. Inclusion criteria included: obstetrics and gynecology and related subspecialties, and undergraduate and graduate medical education. Abstracts were coded based on topics, study subjects, data collection method, method of randomization, journal type and statistical methodology. Each manuscript was independently assessed by 2 reviewers. PRISMA guidelines were followed for the planning, conduct and reporting of the review.

RESULTS:

Fifty-one abstracts meeting inclusion criteria were evaluated. The most common RCT topics studied were simulation (57%), educator approach (12%), and teaching the clinical sciences (8%). Methods of data collection include use of performance scoring and global rating scales (51%), and surveys, questionnaires, and written testing (33%). Groups studied included residents (59%), medical students (39%), and both (2%). Studies were published in obstetrics and/or gynecology journals (71%), followed by surgery (10%) and medical education (8%).

DISCUSSION:

There are few studies with sufficient commonalities to perform meta-analyses on Ob-Gyn MedEd topics. The data provide a road map for future studies.