bluuebunny/crossref_metadata_2025 huggingface dataset:
Catalytic property of poly(ethylene terephthalate-co-isophthalate) synthesized with a novel Sb/Al bimetallic compound catalyst
Authors: Zhang Fuchen , Kang Hongjun , Bai Yongping , Jiang Bo , Huang Yudong , Liu Li
Published: July 2016

Our study investigated the hydrolysis of aluminum subacetate, and poly(ethylene terephthalate-co-isophthalate) was synthesized by using a compound catalyst made of its hydrolysate, γ-AlOOH, with ethylene glycol stibium.
Biosourced, highly porous, carbon xerogel microspheres
Authors: Grishechko L. I. , Amaral-Labat G. , Fierro V. , Szczurek A. , Kuznetsov B. N. , Celzard A.
Published: July 2016

The first tannin-based carbon xerogel microspheres were prepared and characterised.
A concave microwell array fabricated using the ommatidium of the common fruit fly for efficient cell culture
Authors: Shravage Bhupendra , Ramteke Shefali , Kulkarni Prasad , Bodas Dhananjay
Published: July 2016

Top left: SEM of compound eye ofDrosophila melanogasterreplica in PDMS. Bottom left: SEM of MCF-7 cell grown in the micro well. Bottom right: confocal of the MCF-7 cells grown for 72 h.
In situ sonochemical synthesis of luminescent Sn@C-dots and a hybrid Sn@C-dots@Sn anode for lithium-ion batteries
Authors: Kumar Vijay Bhooshan , Tang Jialiang , Lee Kay Jangweon , Pol Vilas G. , Gedanken Aharon
Published: July 2016

A facile sonochemical approach is employed for the in situ formation of Sn@C-dots via ultrasonic irradiation of polyethylene glycol (PEG) as a solvent with molten tin and its decomposition.
Tailoring lipid digestion profiles using combined delivery systems: mixtures of nanoemulsions and filled hydrogel beads
Authors: Zhang Zipei , Zhang Ruojie , Zou Liqiang , McClements David Julian
Published: July 2016

Schematic diagram of the filled hydrogel beads fabrication and its in vitro digestion fate.
Dramatic visible light photocatalytic degradation due to the synergetic effects of TiO2 and PDA nanospheres
Authors: Zhou Xiaosong , Jin Bei , Luo Jin , Xu Xuyao , Zhang Lingling , Li Jiajia , Guan Haojian
Published: July 2016

Dramatic visible light photocatalytic activity was obtained for the degradation of methyl orange using TiO2 photocatalysts modified with polydopamine (PDA) nanospheres.
Synthesis and characterization of imidazolium poly(azolyl)borate ionic liquids and their potential application in SO2 absorption
Authors: Zhang Y. , Lu D. , Zhang J.-J. , Wu C.
Published: July 2016

New imidazolium poly(azolyl)borate ionic liquids (ILs) were synthesized by salt metathesis, and they can absorb SO2 through multi-site interactions at 20 °C, 0.1 MPa SO2 with the highest SO2 capacity of 5.8 mol mol−1 of IL and 1.05 g g−1 of IL.
The peculiar roles of chloride electrolytes in BDD anode cells
Authors: Zhang Chunyong , Du Xiaoming , Zhang Zhefeng , Fu Degang
Published: July 2016

UV-vis spectra changes of phenol in NaCl media (of different initial concentrations) during the electrocatalytic oxidation on a BDD anode.
Using γ-Fe2O3 to tune the electromagnetic properties of three-dimensional (3D) polypyrrole (PPy) and its broadband electromagnetic absorber
Authors: Jiang Wanchun , Sun Mengxiao , Zhang Kun , Dai Xiaoqing , Xia Yilu , Wang Derong , Xie Aming , Wu Fan
Published: July 2016

Electromagnetism such as gravity can be considered an omnipresent force, which plays an important role in the functional activities of organisms.
Influence of natural water composition on reactivity of quicklime derived from Ca-rich and Mg-rich limestone: implications for sustainability of lime manufacturing through geochemical modeling
Authors: Leontakianakos G. , Baziotis I. , Stathopoulos V. N. , Kypritidou Z. , Profitis L. , Chatzitheodoridis E. , Tsimas S.
Published: July 2016

We studied the effects of water quality on the hydration of quicklimes prepared from calcitic limestone and dolomitic limestone during calcination at 1050 °C.
A new hard phase and physical properties of Tc2C predicted from first principles
Authors: Zhang Gangtai , Zhao Yaru , Bai Tingting , Wei Qun , Yuan Yuquan
Published: July 2016

Using the first principles particle swarm optimization algorithm for crystal structural prediction, we have predicted a hexagonalP63/mmcstructure of Tc2C.
Delavatine A, a structurally unusual cyclopenta[de]isoquinoline alkaloid from Incarvillea delavayi
Authors: Zhang Zhongyin , Yang Fan , Fu Jian-Jun , Shen Yun-Heng , He Weiwei , Zhang Wei-Dong
Published: July 2016

Delavatine A, a cytotoxic alkaloid with a unique cyclopenta[de]isoquinoline core, was isolated from I. delavayi.
Strategies for formulation development of andrographolide
Authors: Pawar Atmaram , Rajalakshmi S. , Mehta Piyush , Shaikh Karimunnisa , Bothiraja Chellampillai
Published: July 2016

This review is the comprehensive account of the pharmaceutical aspects of andrographolide with special emphasis on its delivery that have take place over the century.
Ultrathin polymer gel-infiltrated monolayer colloidal crystal films for rapid colorimetric chemical sensing
Authors: Yu Shimo , Han Zhiming , Jiao Xiuling , Chen Dairong , Li Cheng
Published: July 2016

The ultrathin polymer gel-infiltrated monolayer colloidal crystal film shows rapid, linear, reversible, and colorimetric responses to pH variations.
Propene adsorption on gold–palladium nanoalloys supported on bundle nanotubes
Authors: Akbarzadeh Hamed , Abbaspour Mohsen , Khomarian Elham
Published: July 2016

Propene adsorption on (Pd–Au)N nanoalloys supported on carbon nanotube (CNT) bundles has been investigated using molecular dynamics (MD) simulations at 300 K.
Interaction between bile salt sodium glycodeoxycholate and PEO–PPO–PEO triblock copolymers in aqueous solution
Authors: Bayati S. , Anderberg Haglund C. , Pavel N. V. , Galantini L. , Schillén K.
Published: July 2016

Bile salts can associate to PEO–PPO–PEO block copolymer micelles and disintegrate them depending on the relative block length and molecular weight of the copolymers and bile salt/copolymer molar ratio.
Mechanically-induced reverse phase transformation of MoS2from stable 2H to metastable 1T and its memristive behavior
Authors: Cheng Peifu , Sun Kai , Hu Yun Hang
Published: July 2016

The reverse phase transformation of MoS2from stable 2H to metastable 1T could be mechanically induced by ball-milling. Furthermore, the mechanically generated 1T MoS2exhibited memristive behavior.
Methane decomposition over unsupported mesoporous nickel ferrites: effect of reaction temperature on the catalytic activity and properties of the produced nanocarbon
Authors: Pudukudy Manoj , Yaakob Zahira , Takriff Mohd Sobri
Published: July 2016

Unsupported mesoporous nickel ferrites were successfully synthesized via a facile co-precipitation method and used for the thermocatalytic decomposition of methane into hydrogen and nanocarbon at various reaction temperatures.
Simple piezoelectric ceramic generator-based electrospinning apparatus
Authors: Duan Xiao-Peng , Yan Xu , Zhang Bin , Zhang Zhi-Guang , Yu Miao , Zhang Hong-Di , Yang Da-Peng , Long Yun-Ze
Published: July 2016

A new simple e-spinning setup using a piezoelectric ceramic (PZT) generator as high voltage supply was designed and its performance on electrospinning several polymers was investigated.
Thioxanthone based one-component polymerizable visible light photoinitiator for free radical polymerization
Authors: Wu Qingqing , Wang Xiaoling , Xiong Ying , Yang Jianjing , Tang Hongding
Published: July 2016

A thioxanthone based one-component polymerizable visible light photoinitiator with a high photopolymerization activity and very good migration stability was designed and prepared.
Anion assisted supramolecular self-assemblies of succinate and malate adducts: crystal structures and theoretical modelling
Authors: Padmavathy R. , Karthikeyan N. , Sathya D. , Jagan R. , Mohan Kumar R. , Sivakumar K.
Published: July 2016

A series of five dicarboxylic acid complexes of succinic acid and malic acid with various substituted amines have been synthesized and structurally analyzed; also the supramolecular organizations within their crystalline solids have been studied.
Thermalized connectivity networks of jammed packings
Authors: Buss Clemens , Heussinger Claus , Hallatschek Oskar
Published: July 2016

The elastic properties of harmonic contact networks near isostaticity exhibit critical behavior upon heating.
A novel method for the synthesis of 1,2-benzisoxazoline-3-one and its application to hypochlorite recognition
Authors: Yang Yutao , Huo Fangjun , Yin Caixia , Xu Ming , Hu Ying , Chao Jianbin , Zhang Yongbin , Glass Timothy E. , Yoon Juyoung
Published: July 2016

The reaction of salicylhydroxamic acid with hypochlorite produces 1,2-benzisoxazoline-3-one, a heterocycle that contains a fluorophore.
Inflammation in low back pain may be detected from the peripheral blood: suggestions for biomarker
Authors: Li Yong , Liu Jun , Liu Zong-zhi , Duan Da-peng
Published: July 2016

Biomarker for prediction of development of low back pain, and disease progression in chronic conditions are virtually non-existent. In the present study, we examined evidence of inflammation in the peripheral blood and demonstrated significant changes in neuroinflammation markers in subjects with chronic low back pain in comparison with control subjects. The present study was performed using peripheral blood from subjects with chronic low back pain and age-matched control subjects. Western blotting, real-time RT-PCR, cell culture and in vitro assays were incorporated to perform the current study. We obtained evidence that the balance between proinflammatory and anti-inflammatory cytokines is misaligned, with decrease in interleukin-10 (IL-10) expression and increase in interleukin-6 (IL-6) expression. Furthermore, we demonstrated increase in CD16 monocyte expression. Cells were cultured under differential conditions to generate M1/M2 macrophages. In the macrophages, opioid secretory capacity was shown to be diminished. Finally, Dragon (repulsive guidance molecule b, RGMb) expression was shown diminished in M1 macrophages, which serves as a key transcriptional inhibitor of IL-6 expression. These biochemical and cellular alterations in chronic low back pain can serve as potential biomarkers for assessing disease initiation, intensity and progression.
Studie zum Fixkostendegressionsabschlag: FKDA vernichtet Betriebsergebnisse
Authors: Mau Jens
Published: July 2016

Der Fixkostendegressionsabschlag (FKDA) wirft seine Schatten voraus. Im Januar 2017 soll er den Mehrleistungsabschlag ablösen und Fallzahlsteigerungen eindämmen. Erstmals beschäftigt sich jetzt eine Studie mit den Folgen für die Betriebsergebnisse der Kliniken.
Beraterstudie: McKinsey auf Platz eins
Authors: Kucera Martin
Published: July 2016

Spitzenreiter: Beraterkollegen bewerten McKinsey, BCG und Roland Berger besonders gut – Ihre Kunden sehen dagegen neben McKinsey HC&S AG, IMS Health, KPMG, Loquenz und WMC Healthcare an der Spitze.
Ein Tag im Jahr 2002: Sommerfeste mit Pfeifenrauch und Möllemann
Authors: Calmer Bernhard
Published: July 2016

Die kma war von Anfang an nicht nur ein Publikationsorgan, eine monatliche Zeitschrift, sondern immer auch ein Netzwerk der Gesundheitswirtschaft. Ein gutes Beispiel dafür sind die legendären Sommerfeste in Wegscheid.
Aus dem Leben eines Chefredakteurs: Fruchtbare Diskussionen mit Murzin und Hirz
Authors: Preusker Uwe K.
Published: July 2016

Die kma hat in ihren 20 Jahren rund ein halbes Dutzend Chefredakteure erlebt. Einer von ihnen soll an dieser Stelle zu Wort kommen: Uwe Preusker. Er folgte auf Dietmar Haake und Gunter Murzin. Sein Nachfolger wurde 2003 Ulrich Glatzer, 2008 übernahmen Ingrid Mühlnikel und Claudia Dirks, 2014 Kirsten Gaede.
Radiologie: Anteil der Therapie wächst
Authors: Teichgräber Ulf
Published: July 2016

Längst ist die Radiologie kein rein diagnostisches Fach mehr: Der diagnostische Anteil der interventionell-radiologischen Verfahren liegt inzwischen bei weniger als 30 Prozent. In der täglichen Arbeit von Radiologen der Uniklinik Jena spielt dagegen die Therapie eine immer größere Rolle, etwa durch den verstärkten Einsatz von mikrotherapeutischen Eingriffen.
Outsourcingmarkt: Konzentration auf das Kerngeschäft
Authors: Kucera Martin
Published: July 2016

Um am Markt bestehen zu können, müssen Kliniken Kosten sparen. Die große Mehrheit versucht derzeit, die wirtschaftliche Situation durch Restrukturierungen zu verbessern. Die externen Dienstleister rechnen damit, dass Krankenhäuser deshalb bald wieder mehr Leistungen outsourcen werden.
Wirkprinzipprüfung: Kontrollierter Dominoeffekt
Authors: Thalmayr Maria
Published: July 2016

Brandmeldeanlagen müssen im Ernstfall Kettenreaktionen verschiedenster Vorgänge auslösen: Aufzüge in die Ruheposition fahren, Brandabschnittstüren schließen, Alarmierungsanlagen aktivieren, … Mit einer Wirkprinzipprüfung gilt es künftig durch Prüfsachverständige nachzuweisen, dass dieses sicherheitstechnische Zusammenspiel funktioniert.
Versorgungsstärkungsgesetz: Das Versorgungsstärkungsgesetz als Herausforderung verstehen
Authors: Spitzer Stefan G.
Published: July 2016

Vor einem Jahr ist das Versorgungsstärkungsgesetz in Kraft getreten. Nun liegt es an den Kassen und Leistungserbringern, sich an neuen Projekten über innovative integrierende Versorgungslösungen zu beteiligen.
Krankenhausstrukturgesetz: Vor der Reform kommt die digitale Revolution
Authors: Ekkernkamp Axel
Published: July 2016

Viele Diskussionen unter Klinikmanagern drehen sich derzeit um das Thema Krankenhaustrukturgesetz. Wie sind Maßnahmen umzusetzen, wie sind sie finanzierbar, wie ist die Qualität zu halten oder möglichst weiter zu verbessern? Wir sind da sicherlich schon auf einem ganz guten Weg, so ist zum Beispiel sehr zu begrüßen, dass sich inzwischen rund 500 Krankenhäuser unter dem Dach der Stiftung Initiative Qualitätskliniken (SIQ!) zusammengefunden haben. Nur: Alle Reformbemühungen und auch alle Reformfortschritte behandeln die üblichen, uns teilweise seit Jahren bekannten Punkte wie Sektoren, Mengen, Qualität, Versorgung im ländlichen Raum und ähnliches. Mich treibt die Sorge um, dass dabei ein wesentlicher Aspekt aus dem Blickfeld gerät: Rahmenbedingungen für eine völlig veränderte, nämlich digitale (Gesundheits-)Welt vorzubereiten – wenn nicht gar zu schaffen.
Mushroom-type structures with the wires connected through diodes: Theory and applications
Authors: Forouzmand Ali , Kaipa Chandra S. R. , Yakovlev Alexander B.
Published: July 2016

In this paper, we establish a general formalism to quantify the interaction of electromagnetic waves with mushroom-type structures (high impedance surface and bi-layer) with diodes inserted along the direction of the wires. The analysis is carried out using the nonlocal homogenization model for the mushroom structure with the generalized additional boundary conditions at the connection of the wires to diodes. We calculate numerically the magnitude and phase of the reflected/transmitted fields in the presence of an ideal and realistic PIN diodes. It is observed that the reflection/transmission characteristics of the mushroom-type structures can be controlled by tuning the working states of the integrated PIN diodes. We realize a structure with a multi-diode switch to minimize the undesired transmission for a particular incident angle. In addition, a dual-band subwavelength imaging lens is designed based on the resonant amplification of evanescent waves, wherein the operating frequency can be tuned by changing the states of the PIN diodes. The analytical results are verified with the full-wave electromagnetic solver CST Microwave Studio, showing a good agreement.
Unfolding homoclinic connections formed by corner intersections in piecewise-smooth maps
Authors: Simpson D. J. W.
Published: July 2016

The stable and unstable manifolds of an invariant set of a piecewise-smooth map are themselves piecewise-smooth. Consequently, as parameters of a piecewise-smooth map are varied, an invariant set can develop a homoclinic connection when its stable manifold intersects a non-differentiable point of its unstable manifold (or vice-versa). This is a codimension-one bifurcation analogous to a homoclinic tangency of a smooth map, referred to here as a homoclinic corner. This paper presents an unfolding of generic homoclinic corners for saddle fixed points of planar piecewise-smooth continuous maps. It is shown that a sequence of border-collision bifurcations limits to a homoclinic corner and that all nearby periodic solutions are unstable.
Speeding up local correlation methods: System-inherent domains
Authors: Kats Daniel
Published: July 2016

A new approach to determine local virtual space in correlated calculations is presented. It restricts the virtual space in a pair-specific manner on the basis of a preceding approximate calculation adapting automatically to the locality of the studied problem. The resulting pair system-inherent domains are considerably smaller than the starting domains, without significant loss in the accuracy. Utilization of such domains speeds up integral transformations and evaluations of the residual and reduces memory requirements. The system-inherent domains are especially suitable in cases which require high accuracy, e.g., in generation of pair-natural orbitals, or for which standard domains are problematic, e.g., excited-state calculations.
Analysis of homogeneous/non-homogeneous nanofluid models accounting for nanofluid-surface interactions
Authors: Ahmad R.
Published: July 2016

This article reports an unbiased analysis for the water based rod shaped alumina nanoparticles by considering both the homogeneous and non-homogeneous nanofluid models over the coupled nanofluid-surface interface. The mechanics of the surface are found for both the homogeneous and non-homogeneous models, which were ignored in previous studies. The viscosity and thermal conductivity data are implemented from the international nanofluid property benchmark exercise. All the simulations are being done by using the experimentally verified results. By considering the homogeneous and non-homogeneous models, the precise movement of the alumina nanoparticles over the surface has been observed by solving the corresponding system of differential equations. For the non-homogeneous model, a uniform temperature and nanofluid volume fraction are assumed at the surface, and the flux of the alumina nanoparticle is taken as zero. The assumption of zero nanoparticle flux at the surface makes the non-homogeneous model physically more realistic. The differences of all profiles for both the homogeneous and nonhomogeneous models are insignificant, and this is due to small deviations in the values of the Brownian motion and thermophoresis parameters.
Asymmetrical phase separation and gelation in binary mixtures of oppositely charged colloids
Authors: Zong Yiwu , Yuan Guangcui , Han Charles C.
Published: July 2016

Two types of colloidal particles, which are nearly the same in chemical composition but carry opposite surface charges, are mixed in water. Depending on the relative proportion of the oppositely charged particles, the process of aggregation leads to the formation of discrete clusters of various sizes in dilute dispersions, and to the development of particle gel networks in more concentrated systems. Due to the significant difference in the absolute values of surface charges (negative particle: −48 mV, positive particle: +24 mV), the phase separation and the gelation behaviors are asymmetric with respect to the mixing ratio. Mixtures with excess negative particles are more stable, while mixtures with excess positive particles are easily affected by phase separation. The hetero-aggregation triggered by the addition of microscopically large macro-ions is similar to what is often observed in a mono-component charged colloidal system, i.e., phase separation occurs through addition of small electrolyte ions. Within the concentration region investigated here, it is clear that the gel line is buried inside the phase separation region. Gelation occurs only when the number and size of the clusters are large and big enough to connect up into a space-spanning network. Our results indicate that, in this binary mixture of oppositely charged colloids, although the interaction between unlike species is attractive and that between like species is repulsive, the onset of gelation is in fact governed by the equilibrium phase separation, as in the case of purely attractive systems with short-range isotropic interaction.
Breakup modes of fluid drops in confined shear flows
Authors: Barai Nilkamal , Mandal Nibir
Published: July 2016

Using a conservative level set method we investigate the deformation behavior of isolated spherical fluid drops in a fluid channel subjected to simple shear flows, accounting the following three non-dimensional parameters: (1) degree of confinement (Wc = 2a/h, where a is the drop radius and h is the channel thickness); (2) viscosity ratio between the two fluids (λ = μd/μm, where μd is the drop viscosity and μm is the matrix viscosity); and (3) capillary number (Ca). For a given Wc, a drop steadily deforms to attain a stable geometry (Taylor number and inclination of its long axis to the shear direction) when Ca < 0.3. For Ca > 0.3, the deformation behavior turns to be unsteady, leading to oscillatory variations of both its shape and orientation with progressive shear. This kind of unsteady deformation also occurs in a condition of high viscosity ratios (λ > 2). Here we present a detailed parametric analysis of the drop geometry with increasing shear as a function of Wc, Ca, and λ. Under a threshold condition, deforming drops become unstable, resulting in their breakup into smaller droplets. We recognize three principal modes of breakup: Mode I (mid-point pinching), Mode II (edge breakup), and Mode III (homogeneous breakup). Each of these modes is shown to be most effective in the specific field defined by Ca and λ. Our study also demonstrates the role of channel confinement (Wc) in controlling the transition of Mode I to III. Finally, we discuss implications of the three modes in determining characteristic drop size distributions in multiphase flows.
Improved scaling of temperature-accelerated dynamics using localization
Authors: Shim Yunsic , Amar Jacques G.
Published: July 2016

While temperature-accelerated dynamics (TAD) is a powerful method for carrying out non-equilibrium simulations of systems over extended time scales, the computational cost of serial TAD increases approximately as N3 where N is the number of atoms. In addition, although a parallel TAD method based on domain decomposition [Y. Shim et al., Phys. Rev. B 76, 205439 (2007)] has been shown to provide significantly improved scaling, the dynamics in such an approach is only approximate while the size of activated events is limited by the spatial decomposition size. Accordingly, it is of interest to develop methods to improve the scaling of serial TAD. As a first step in understanding the factors which determine the scaling behavior, we first present results for the overall scaling of serial TAD and its components, which were obtained from simulations of Ag/Ag(100) growth and Ag/Ag(100) annealing, and compare with theoretical predictions. We then discuss two methods based on localization which may be used to address two of the primary “bottlenecks” to the scaling of serial TAD with system size. By implementing both of these methods, we find that for intermediate system-sizes, the scaling is improved by almost a factor of N1/2. Some additional possible methods to improve the scaling of TAD are also discussed.
Thin film based plasmon nanorulers
Authors: Taylor Alexander D. , Lu Chang , Geyer Scott , Carroll D. L.
Published: July 2016

In this work, isolated metal nanoparticles are supported on a dielectric thin film that is placed on a conducting plane. The optical scattering characteristics of these metal nanoparticles are directly correlated with the localized surface plasmon states of the nanoparticle—image particle dimer, formed in the conducting plane below. Quantification of plasmon resonance shifts can be directly correlated with the application of the plasmon nanoruler equation. This simple geometry shows that direct optical techniques can be used to resolve thickness variations in dielectrics of only a few nanometers.
Defect analysis by transmission electron microscopy of epitaxial Al-doped ZnO films grown on (0001) ZnO and a-sapphire by RF magnetron sputtering
Authors: Rengachari Mythili , Bikowski André , Ellmer Klaus
Published: July 2016

Microstructural investigations by cross section Transmission Electron Microscopy have been carried out on Al-doped ZnO films epitaxially grown on (0001) ZnO and a-sapphire by RF magnetron sputtering, since it is known that crystallographic defects influence the physical properties of ZnO films. Threading dislocations and basal stacking faults were the predominant defects observed in these films, which were dependent on the type of the substrate and its orientation. The orientational relationship between the ZnO:Al film and the a-sapphire was determined to be (112¯0)sapphire||(0001)ZnO:Al and [0001]sapphire||[112¯0]ZnO:Al. The density of dislocations in the heteroepitaxial film of ZnO:Al on a-sapphire was higher than that of the homoepitaxial film of ZnO:Al on undoped ZnO, due to the difference in the lattice mismatch, which also affected the crystallinity of the film.
Effects of oxygen partial pressure, deposition temperature, and annealing on the optical response of CdS:O thin films as studied by spectroscopic ellipsometry
Authors: Junda Maxwell M. , Grice Corey R. , Subedi Indra , Yan Yanfa , Podraza Nikolas J.
Published: July 2016

Ex-situ spectroscopic ellipsometry measurements are made on radio frequency magnetron sputtered oxygenated cadmium sulfide (CdS:O) thin films. Films are deposited onto glass substrates at room temperature and at 270 °C with varying oxygen to total gas flow ratios in the sputtering ambient. Ellipsometric spectra from 0.74 to 5.89 eV are collected before and after annealing at 607 °C to simulate the thermal processes during close-space sublimation of overlying cadmium telluride in that solar cell configuration. Complex dielectric function (ε = ε1 + iε2) spectra are extracted for films as a function of oxygen gas flow ratio, deposition temperature, and post-deposition annealing using a parametric model accounting for critical point transitions and an Urbach tail for sub-band gap absorption. The results suggest an inverse relationship between degree of crystallinity and oxygen gas flow ratio, whereas annealing is shown to increase crystallinity in all samples. Direct band gap energies are determined from the parametric modeling of ε and linear extrapolations of the square of the absorption coefficient. As-deposited samples feature a range of band gap energies whereas annealing is shown to result in gap energies ranging only from 2.40 to 2.45 eV, which is close to typical band gaps for pure cadmium sulfide.
Hydrodynamic interaction between particles near elastic interfaces
Authors: Daddi-Moussa-Ider Abdallah , Gekle Stephan
Published: July 2016

We present an analytical calculation of the hydrodynamic interaction between two spherical particles near an elastic interface such as a cell membrane. The theory predicts the frequency dependent self- and pair-mobilities accounting for the finite particle size up to the 5th order in the ratio between particle diameter and wall distance as well as between diameter and interparticle distance. We find that particle motion towards a membrane with pure bending resistance always leads to mutual repulsion similar as in the well-known case of a hard-wall. In the vicinity of a membrane with shearing resistance, however, we observe an attractive interaction in a certain parameter range which is in contrast to the behavior near a hard wall. This attraction might facilitate surface chemical reactions. Furthermore, we show that there exists a frequency range in which the pair-mobility for perpendicular motion exceeds its bulk value, leading to short-lived superdiffusive behavior. Using the analytical particle mobilities we compute collective and relative diffusion coefficients. The appropriateness of the approximations in our analytical results is demonstrated by corresponding boundary integral simulations which are in excellent agreement with the theoretical predictions.
Laplace-transformed atomic orbital-based Møller–Plesset perturbation theory for relativistic two-component Hamiltonians
Authors: Helmich-Paris Benjamin , Repisky Michal , Visscher Lucas
Published: July 2016

We present a formulation of Laplace-transformed atomic orbital-based second-order Møller–Plesset perturbation theory (MP2) energies for two-component Hamiltonians in the Kramers-restricted formalism. This low-order scaling technique can be used to enable correlated relativistic calculations for large molecular systems. We show that the working equations to compute the relativistic MP2 energy differ by merely a change of algebra (quaternion instead of real) from their non-relativistic counterparts. With a proof-of-principle implementation we study the effect of the nuclear charge on the magnitude of half-transformed integrals and show that for light elements spin-free and spin-orbit MP2 energies are almost identical. Furthermore, we investigate the effect of separation of charge distributions on the Coulomb and exchange energy contributions, which show the same long-range decay with the inter-electronic/atomic distance as for non-relativistic MP2. A linearly scaling implementation is possible if the proper distance behavior is introduced to the quaternion Schwarz-type estimates as for non-relativistic MP2.
Maximum efficiency of state-space models of nanoscale energy conversion devices
Authors: Einax Mario , Nitzan Abraham
Published: July 2016

The performance of nano-scale energy conversion devices is studied in the framework of state-space models where a device is described by a graph comprising states and transitions between them represented by nodes and links, respectively. Particular segments of this network represent input (driving) and output processes whose properly chosen flux ratio provides the energy conversion efficiency. Simple cyclical graphs yield Carnot efficiency for the maximum conversion yield. We give general proof that opening a link that separate between the two driving segments always leads to reduced efficiency. We illustrate these general result with simple models of a thermoelectric nanodevice and an organic photovoltaic cell. In the latter an intersecting link of the above type corresponds to non-radiative carriers recombination and the reduced maximum efficiency is manifested as a smaller open-circuit voltage.
Winding angles of long lattice walks
Authors: Hammer Yosi , Kantor Yacov
Published: July 2016

We study the winding angles of random and self-avoiding walks (SAWs) on square and cubic lattices with number of steps N ranging up to 107. We show that the mean square winding angle 〈θ2〉 of random walks converges to the theoretical form when N → ∞. For self-avoiding walks on the square lattice, we show that the ratio 〈θ4〉/〈θ2〉2 converges slowly to the Gaussian value 3. For self-avoiding walks on the cubic lattice, we find that the ratio 〈θ4〉/〈θ2〉2 exhibits non-monotonic dependence on N and reaches a maximum of 3.73(1) for N ≈ 104. We show that to a good approximation, the square winding angle of a self-avoiding walk on the cubic lattice can be obtained from the summation of the square change in the winding angles of lnN independent segments of the walk, where the ith segment contains 2i steps. We find that the square winding angle of the ith segment increases approximately as i0.5, which leads to an increase of the total square winding angle proportional to (lnN)1.5.
Communication: XUV transient absorption spectroscopy of iodomethane and iodobenzene photodissociation
Authors: Drescher L. , Galbraith M. C. E. , Reitsma G. , Dura J. , Zhavoronkov N. , Patchkovskii S. , Vrakking M. J. J. , Mikosch J.
Published: July 2016

Time-resolved extreme ultraviolet (XUV) transient absorption spectroscopy of iodomethane and iodobenzene photodissociation at the iodine pre-N4,5 edge is presented, using femtosecond UV pump pulses and XUV probe pulses from high harmonic generation. For both molecules the molecular core-to-valence absorption lines fade immediately, within the pump-probe time-resolution. Absorption lines converging to the atomic iodine product emerge promptly in CH3I but are time-delayed in C6H5I. We attribute this delay to the initial π → σ* excitation in iodobenzene, which is distant from the iodine reporter atom. We measure a continuous shift in energy of the emerging atomic absorption lines in CH3I, attributed to relaxation of the excited valence shell. An independent particle model is used to rationalize the observed experimental findings.
Ambipolar nonvolatile memory based on a quantum-dot transistor with a nanoscale floating gate
Authors: Che Yongli , Zhang Yating , Cao Xiaolong , Song Xiaoxian , Cao Mingxuan , Dai Haitao , Yang Junbo , Zhang Guizhong , Yao Jianquan
Published: July 2016

Using only solution processing methods, we developed ambipolar quantum-dot (QD) transistor floating-gate memory (FGM) that uses Au nanoparticles as a floating gate. Because of the bipolarity of the active channel of PbSe QDs, the memory could easily trap holes or electrons in the floating gate by programming/erasing (P/E) operations, which could shift the threshold voltage both up and down. As a result, the memory exhibited good programmable memory characteristics: a large memory window (ΔVth ∼ 15 V) and a long retention time (>105 s). The magnitude of ΔVth depended on both P/E voltages and the bias voltage (VDS): ΔVth was a cubic function to VP/E and linearly depended on VDS. Therefore, this FGM based on a QD transistor is a promising alternative to its inorganic counterparts owing to its advantages of bipolarity, high mobility, low cost, and large-area production.
Interfacial diffusion aided deformation during nanoindentation
Authors: Samanta Amit , E Weinan
Published: July 2016

Nanoindentation is commonly used to quantify the mechanical response of material surfaces. Despite its widespread use, a detailed understanding of the deformation mechanisms responsible for plasticity during these experiments has remained elusive. Nanoindentation measurements often show stress values close to a material’s ideal strength which suggests that dislocation nucleation and subsequent dislocation activity dominates the deformation. However, low strain-rate exponents and small activation volumes have also been reported which indicates high temperature sensitivity of the deformation processes. Using an order parameter aided temperature accelerated sampling technique called adiabatic free energy dynamics [J. B. Abrams and M. E. Tuckerman, J. Phys. Chem. B, 112, 15742 (2008)], and molecular dynamics we have probed the diffusive mode of deformation during nanoindentation. Localized processes such as surface vacancy and ad-atom pair formation, vacancy diffusion are found to play an important role during indentation. Our analysis suggests a change in the dominant deformation mode from dislocation mediated plasticity to diffusional flow at high temperatures, slow indentation rates and small indenter tip radii.
The electronic heat capacity of YBa2Cu3O7−δ superconductor
Authors: Singh Anu , Singh Hempal , Indu B. D.
Published: July 2016

The contributions due to the point defects or disorder and anharmonicities which play deterministic role in the understanding of electronic heat capacity (EHC) of high temperature superconductors (HTS) have been investigated via electron density of states (EDOS) approach on the basis of quantum dynamical many body theory. The evaluation of EDOS has been carried out with the help of most versatile method of double time temperature dependent electron Green’s functions (GF) via a Hamiltonian (non BCS type) which includes the effects of electrons, phonons, defects, anharmonicity, and electron-phonon interactions which enables to account the effects of cubic anharmonicity besides with both the force constant changes and mass difference caused by the impurities in developing the results for EDOS and EHC. The new results reveal some striking features of EHC of HTS.
On the optimization, and the intensity dependence, of the excitation rate for the absorption of two-photons due to the direct permanent dipole moment excitation mechanism
Authors: Meath William J.
Published: July 2016

A model two-level dipolar molecule, and the rotating wave approximation and perturbation theory, are used to investigate the optimization and the laser intensity dependence of the two-photon excitation rate via the direct permanent dipole mechanism. The rate is proportional to the square of the laser intensity I only for small intensities and times when perturbation theory is applicable. An improvement on perturbation theory is provided by a small time RWA result for the rate which is not proportional to I2; rather it is proportional to the square of an effective intensity Ieff. For each laser intensity the optimum RWA excitation rate as a function of time, for low intensities, is proportional to I, not I2, and for high intensities it is proportional to Ieff. For a given two-photon transition the laser-molecule coupling optimizes for an intensity Imax which, for example, leads to a maximum possible excitation rate as a function of time. The validity of the RWA results of this paper, and the importance of including the effects of virtual excited states, are also discussed briefly.
Infrared spectroscopy of water clusters isolated in methane matrices: Effects of isotope substitution and annealing
Authors: Yamakawa Koichiro , Ehara Namika , Ozawa Nozomi , Arakawa Ichiro
Published: July 2016

Using infrared-active solvents of CH4 and CD4 for matrix isolation, we measured infrared spectra of H2O and D2O clusters at 7 K. The solute-concentration dependence of the spectrum of H2O clusters in a CH4 matrix was investigated and was used for the peak assignment. Annealing procedures were found to promote the size growth of water clusters in methane matrices for all the combinations of (H2O, CH4), (H2O, CD4), (D2O, CH4), and (D2O, CD4). We also monitored the ν3 absorption due to methane to find the annealing-induced structural change only of solid CH4. The matrix effects on the vibrations of the clusters are discussed on the basis of “Tc plots”, where their frequencies are plotted as a function of the square root of the matrix critical temperature, Tc. The obtained plots assure the validity of the assignment of the cluster peaks.
Improving outcomes for Aboriginal and Torres Strait Islander people with cancer requires a systematic approach to understanding patients’ experiences of care
Authors: Green Monica , Cunningham Joan , O'Connell Dianne , Garvey Gail
Published: July 2016

Indigenous Australians experience a greater burden of cancer than other Australians, but there is little systematic information about their experiences of cancer care. Patient-centred care is increasingly recognised as one of the core domains of quality care, alongside clinical effectiveness and patient safety. Qualitative studies have identified significant issues relating to Indigenous patients’ experiences of cancer care, but these data are often insufficient to inform and evaluate health service improvement. We need to establish appropriate methods that will lead to systematic, routinely collected, accurate, population-based data on the experiences of care of Indigenous people with cancer, and determine how best to translate these data into improvements in the delivery of care to this population. Genuine Indigenous leadership and involvement will be necessary, with the whole approach underpinned by the primary aim of improving health outcomes for this population.
Genetic variation in Fe toxicity tolerance is associated with the regulation of translocation and chelation of iron along with antioxidant defence in shoots of rice
Authors: Kabir Ahmad Humayan , Begum Most Champa , Haque Ariful , Amin Ruhul , Swaraz A. M. , Haider Syed Ali , Paul Nishit Kumar , Hossain Mohammad Monzur
Published: July 2016

Excess iron (Fe) is phytotoxic and causes reduced growth and productivity in rice. In this study we elucidated the mechanisms conferring differential tolerance to Fe-toxicity in rice seedlings. Excess Fe caused retardation in roots of both Pokkali and BRRI 51, but it caused no significant changes on growth parameters, Fe accumulation and OsIRT1 expression in shoots of Pokkali only compared with control plants. These results suggest that the Pokkali genotype does have mechanisms in shoots to withstand Fe toxicity. Pokkali maintained membrane stability and total soluble protein in shoots due to Fe toxicity, further confirming its ability to tolerate excess Fe. Furthermore, a significant decrease of Fe-chelate reductase activity and OsFRO1 expression in shoots of Pokkali suggests that limiting Fe accumulation is possibly regulated by Fe-reductase activity. Our extensive expression analysis on the expression pattern of three chelators (OsDMAS1, OsYSL15, OsYSL2 and OsFRDL1) showed no significant changes in expression in shoots of Pokkali due to Fe toxicity, whereas these genes were significantly upregulated under Fe-toxicity in sensitive BRRI 51. These results imply that regulation of Fe chelation in shoots of Pokkali contributes to its tolerance to Fe toxicity. Finally, increased catalase (CAT), peroxidase (POD), glutathione reductase (GR) and superoxide dismutase (SOD), along with elevated ascorbic acid, glutathione, cysteine, methionine and proline in shoots of Pokkali caused by Fe toxicity suggests that strong antioxidant defence protects rice plants from oxidative injury under Fe toxicity. Taking these results together, we propose that genetic variation in Fe-toxicity tolerance in rice is shoot based, and is mainly associated with the regulation of translocation and chelation of Fe together with elevated antioxidant metabolites in shoots.
When is a GP home-visit program financially viable?
Authors: McRae Ian , Pham Mai
Published: July 2016

Despite a decline in GP home visits in Australia, these services remain an important aspect of healthcare access and delivery for the aged population. Home visits can both provide better care and decrease use of ambulance and emergency department (ED) services. The net costs of providing GP visits are complex, depending on the relative costs of home visits and ED attendances, the number of ED attendances saved by GP visits, and the number of services provided per day by a visiting GP. The Australian Capital Territory government created the General Practice Aged Day Service (GPADS) program in March 2011. Using data and information from this program as a basis, we examine the financial aspects of a daytime home-visit program in the Australian context. Whether or not a program is financially viable depends on a range of parameters; if all factors are aligned a program can generate net savings. While there is no information available on the net health benefits of home visits relative to ED attendance, these differences need not be large for the program to be cost-effective.
Quantifying the origins of life on a planetary scale
Authors: Scharf Caleb , Cronin Leroy
Published: July 2016

Significance

In this paper, we describe an equation to estimate the frequency of planetary “origin of life”-type events that is similar in intent to the Drake Equation but with some key advantages—specifically, our formulation makes an explicit connection between “global” rates for life arising and granular information about a planet. Our approach indicates scenarios where a shared chemical search space with more complex building blocks could be the critical difference between cosmic environments where life is potentially more or less abundant but, more importantly, points to constraints on the search. The possibility of chemical search-space amplification could be a major variance factor in planetary abiogenesis probabilities.
pH-degradable imidazoquinoline-ligated nanogels for lymph node-focused immune activation
Authors: Nuhn Lutz , Vanparijs Nane , De Beuckelaer Ans , Lybaert Lien , Verstraete Glenn , Deswarte Kim , Lienenklaus Stefan , Shukla Nikunj M. , Salyer Alex C. D. , Lambrecht Bart N. , Grooten Johan , David Sunil A. , De Koker Stefaan , De Geest Bruno G.
Published: July 2016

Significance

The newest generation of small-molecule vaccine adjuvants aims at triggering specific receptors expressed by dendritic cells, the working horses of our immune system. Unfortunately, owing to their small size, upon administration these molecules rapidly enter systemic circulation and cause systemic inflammation. We report on a nanotechnology-based solution for this issue by covalent ligation of a potent immunostimulatory small molecule to hydrogel nanoparticles. This approach allows for lymph node-restricted immune activation and avoids systemic dissemination. Importantly, relative to soluble immunostimulatory compound, nanoparticle ligation yields increased immune activation in the draining lymph nodes and results in strongly increased antibody titers and T-cell responses against an admixed vaccine antigen.
Blood sugar level follows perceived time rather than actual time in people with type 2 diabetes
Authors: Park Chanmo , Pagnini Francesco , Reece Andrew , Phillips Deborah , Langer Ellen
Published: July 2016

Significance

We investigated the hypothesis that the perception of time passing can exert a stronger influence on blood glucose level compared with the passage of actual time in people with type 2 diabetes. Our findings suggest that manipulation of participants’ perception of time resulted in blood glucose levels changing in accordance with how much time participants believed had passed, instead of how much time had actually passed. These results are an important example of the influence psychological processes can directly exert on the body. Mindsets and expectations may play an increasingly important role in type 2 diabetes management.
Grasses use an alternatively wired bHLH transcription factor network to establish stomatal identity
Authors: Raissig Michael T. , Abrash Emily , Bettadapur Akhila , Vogel John P. , Bergmann Dominique C.
Published: July 2016

Significance

Plants both control and are controlled by the global climate. Grasses in natural and agricultural systems participate in the exchange of atmospheric CO
2
for biosphere-derived oxygen and water vapor via microscopic epidermal valves (stomata), but how these stomata are made in grasses is unknown. Using genetic screens and targeted genome editing, we identify and characterize master transcriptional regulators of stomatal initiation in the wheat relative
Brachypodium
. Surprisingly, the unique stomatal form and pattern of grasses is regulated by orthologs of
Arabidopsis
stomatal basic helix–loop–helix (bHLH) transcription factors, although the function of individual genes and regulation of their protein products have diverged. This finding suggests that the stomatal core bHLH transcription factors are excellent breeding targets to enhance performance in grasses.
Cook Island artifact geochemistry demonstrates spatial and temporal extent of pre-European interarchipelago voyaging in East Polynesia
Authors: Weisler Marshall I. , Bolhar Robert , Ma Jinlong , St Pierre Emma , Sheppard Peter , Walter Richard K. , Feng Yuexing , Zhao Jian-xin , Kirch Patrick V.
Published: July 2016

Significance

Oceania, the last region settled on Earth, witnessed the greatest maritime migration in human history. Scholars have debated how and when islands were colonized and the role of postsettlement voyaging in maintaining founding colonies and in subsequent diversification of island societies. We geochemically “fingerprinted” exotic stone artifacts from a well-dated archaeological site in the Cook Islands, matching artifacts to their geological sources and demonstrating that the geographical voyaging network extended beyond the Cook Islands to include the Austral, Samoa, and Marquesas archipelagos—up to 2,400 km distant. We further demonstrate that Polynesian interarchipelago voyaging lasted from about AD 1300 to the 1600s, suggesting that long-distance interaction continued to influence the development of social structures in East Polynesia well after initial colonization.