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How many electrons form chemical bonds in the NgBeS (Ng = Ar, Kr, Xe) molecules? Topological study using the electron localisation function (ELF) and electron localisability indicator (ELI-D)

Emilia Makarewicz、Agnieszka J. Gordon、Sławomir Berski2016-01-15Structural Chemistry

Nature of bonding in the NgBeS (Ng = Ar, Kr, Xe) molecules has been studied using topological analysis of ELF, ELI-D functions with the wave function approximated at the DFT (M062X, B3LYP + ZORA), MP2, CCSD and CASSCF level of calculations. Both Xe–Be and Be=S bonds display topological features typical for the covalen…

Advanced Chemical Physics StudiesCrystallography and molecular interactionsSolid-state spectroscopy and crystallography

High‐content cell death imaging using quantum dot‐based TIRF microscopy for the determination of anticancer activity against breast cancer stem cell

Jieun Ki、Yumi Shim、Joon Myong Song2016-01-15Journal of Biophotonics

We report a two color monitoring of drug‐induced cell deaths using total internal reflection fluorescence (TIRF) as a novel method to determine anticancer activity. Instead of cancer cells, breast cancer stem cells (CSCs) were directly tested in the present assay to determine the effective concentration (EC50) values…

Nanoparticle-Based Drug DeliveryImmunotherapy and Immune ResponsesNanoplatforms for cancer theranostics

Cross-tunneling and phonon bottleneck effects in the relaxation phenomena of XY pyrochlore antiferromagnet Er2Ti2O7

M. Orendáč、K. Tibenská、Jozef Strečka 等 9 位作者2016-01-15Physical review. B./Physical review. B

A multiple time scale relaxation dynamic is revealed by alternating current (ac) susceptibility studies of a single crystal of $\mathrm{E}{\mathrm{r}}_{2}\mathrm{T}{\mathrm{i}}_{2}{\mathrm{O}}_{7}$ performed at high temperatures (${k}_{B}T\ensuremath{\gg}J/{k}_{B}$) in a wide range of static magnetic fields. An analys…

Multiferroics and related materialsAdvanced Condensed Matter PhysicsNuclear materials and radiation effects

Dynamical mean-field theory description of the voltage-induced transition in a nonequilibrium superconductor

A. Amaricci、Massimo Capone2016-01-15Physical review. B./Physical review. B

Using dynamical mean-field theory (DMFT) we study a simplified model for heterostructures involving superconductors. The system is driven out of equilibrium by a voltage bias, imposed as an imbalance of chemical potential at the interface. We solve the self-consistent DMFT equations using iterative second-order pertur…

Physics of Superconductivity and MagnetismMagnetic and transport properties of perovskites and related materialsElectronic and Structural Properties of Oxides

The gas-sensing and structure properties of Fe-doped In2O3 nanotubes by electrospinning technique

Jing Zhou、Hongzhi Shen、Guanlin Feng 等 4 位作者2016-01-15Modern Physics Letters B

Fe-doped In2O3 nanotubes were successfully synthesized by electrospinning technique followed by subsequent heat treatment. The as-prepared samples appeared as an apparently open-end one-dimensional (1D) and tubular-like morphology with the diameter of approximately 150 nm and the wall thickness about 20 nm. The diffra…

Gas Sensing Nanomaterials and SensorsTransition Metal Oxide NanomaterialsAdvanced Chemical Sensor Technologies

Effect of Site Occupancies on Deep-red Emission from Eu2+-activated Ca2SiO4 Phosphor

Hiroki Kuwahara、Yasushi Sato、Hideki Kato 等 6 位作者2016-01-15Chemistry Letters

Calcium silicate cosubstituted with Sr2+ and Eu2+ was studied in order to examine the relationship between emission characteristics and Eu2+ occupancy at two types of Ca sites (Ca(1n) and Ca(2n)). The results clearly indicate that red emission of the Ca2SiO4:Eu2+ phosphor is caused by Eu2+ substitution at the Ca(2n) s…

Luminescence Properties of Advanced MaterialsTerahertz technology and applicationsRadiation Detection and Scintillator Technologies

In-situ transmission electron microscopy growth of nanoparticles under extreme conditions

Flavia Piegas Luce、Erwan Oliviero、G. de M. Azevedo 等 6 位作者2016-01-15Journal of Applied Physics

The formation and time resolved behavior of individual Pb nanoparticles embedded in silica have been studied by in-situ transmission electron microscopy observations at high temperatures (400–1100 °C) and under 200 keV electron irradiation. It is shown that under such extreme conditions, nanoparticles can migrate at l…

Material Dynamics and PropertiesSpectroscopy and Quantum Chemical Studiesnanoparticles nucleation surface interactions

Strength Assessment of a Corroded Pipeline through the Burst Test: Case Study

Chanyalew Taye Belachew、Che Ismail Mokhtar、Saravanan Karuppanan2016-01-15Journal of Pipeline Systems Engineering and Practice

Failure due to corrosion has become one of the major problems in maintaining pipeline integrity. Smart pigs have been used for decades to assess the in situ condition of steel pipe serving the oil and gas industries. The assessment techniques used are generally described in standards prepared by American Petroleum Ins…

Corrosion Behavior and InhibitionHydrogen embrittlement and corrosion behaviors in metalsStructural Integrity and Reliability Analysis

Hierarchy of gaps and magnetic minibands in graphene in the presence of the Abrikosov vortex lattice

Xi Chen、Vladimir I. Fal’ko2016-01-15Physical review. B./Physical review. B

We determine the bands and gaps in graphene subjected to the magnetic field of an Abrikosov lattice of vortices in the underlying superconducting film. The spectrum features one nondispersive magnetic miniband at zero energy, separated by the largest gaps in the miniband spectrum from a pair of minibands resembling a…

Graphene research and applicationsQuantum and electron transport phenomenaTopological Materials and Phenomena

A disclination model for twinning and de-twinning of nanotwinned copper

Chao Xie、Qihong Fang、Luoxing Li 等 7 位作者2016-01-15The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics

The twinning and de-twinning processes within grains of nanotwinned copper (nt-Cu) are schematically demonstrated using the concept of wedge disclination quadrupoles. The stable twin nucleus size and the equilibrium equation of the applied shear stress and twin width during twin growth are obtained. The dependence of…

Microstructure and mechanical propertiesMagnesium Alloys: Properties and ApplicationsAluminum Alloys Composites Properties

Chitooligomer-Immobilized Biointerfaces with Micropatterned Geometries for Unidirectional Alignment of Myoblast Cells

Pornthida Poosala、Takuya Kitaoka2016-01-15Biomolecules

Skeletal muscle possesses a robust capacity to regenerate functional architectures with a unidirectional orientation. In this study, we successfully arranged skeletal myoblast (C2C12) cells along micropatterned gold strips on which chitohexaose was deposited via a vectorial chain immobilization approach. Hexa-N-acetyl…

Glycosylation and Glycoproteins ResearchMesoporous Materials and CatalysisSilk-based biomaterials and applications

Current-Driven Hydrogen Desorption from Graphene: Experiment and Theory

Li Gao、Partha Pratim Pal、Tamar Seideman 等 5 位作者2016-01-15The Journal of Physical Chemistry Letters

Electron-stimulated desorption of hydrogen from the graphene/SiC(0001) surface at room temperature was investigated with ultrahigh vacuum scanning tunneling microscopy and ab initio calculations in order to elucidate the desorption mechanisms and pathways. Two different desorption processes were observed. In the high…

Advancements in Battery MaterialsGraphene research and applicationsBoron and Carbon Nanomaterials Research

Protein turnover analysis in Salmonella Typhimurium during infection by dynamic SILAC, Topograph, and quantitative proteomics

Zhe Wang、Qiangqiang Han、Maotian Zhou 等 5 位作者2016-01-15Journal of Basic Microbiology

Protein turnover affects protein abundance and phenotypes. Comprehensive investigation of protein turnover dynamics has the potential to provide substantial information about gene expression. Here we report a large-scale protein turnover study in Salmonella Typhimurium during infection by quantitative proteomics. Muri…

Salmonella and Campylobacter epidemiologyBacteriophages and microbial interactionsEnzyme Structure and Function

Chromatographic retention and thermodynamics of the adsorption of α-phenylcarboxylic acid enantiomers on a chiral stationary phase with a grafted antibiotic eremomycin: Effect of eluent pH

Е. Н. Решетова2016-01-15Journal of Liquid Chromatography & Related Technologies

The effect of the pH of aqueous–ethanol mobile phases on the retention and adsorption thermodynamics of the optical isomers of several α-phenylcarboxylic acids on a chiral stationary phase “Nautilus-E” with a grafted antibiotic, eremomycin, was studied. It was determined that ionic interactions dominated in the retent…

Analytical Chemistry and ChromatographyCrystallization and Solubility StudiesChromatography in Natural Products

Biased doped silicene as a way to tune electronic conduction

Y. Pogorelov、В. М. Локтев2016-01-15Physical review. B./Physical review. B

Restructuring of the electronic spectrum in a buckled silicene monolayer under some applied voltage between its two sublattices and in the presence of certain impurity atoms is considered. Special attention is given to formation of localized impurity levels within the band gap and to their collectivization at finite i…

Graphene research and applicationsTopological Materials and PhenomenaSynthesis and Properties of Aromatic Compounds

Solid State Characterization of Bridged Steroidal Molecular Rotors: Effect of the Rotator Fluorination on Their Crystallization

Dorota Czajkowska‐Szczykowska、Andrés Aguilar‐Granda、Jadwiga Maj 等 9 位作者2016-01-15Crystal Growth & Design

We describe the synthesis and crystallization of two macrocyclic steroidal compounds labeled ( Z )- 1F 2 and ( E )- 1F 2, envisioned to work as molecular rotors with 1,4-diethynyl-2,3-difluorophenylene rotators. The introduction of the fluorine atoms rendered different crystal arrays that were fully characterized by X…

Supramolecular Chemistry and ComplexesMagnetism in coordination complexesCrystallography and molecular interactions

Stimuli-Responsive Polymer-Clay Nanocomposites under Electric Fields

Shang Hao Piao、Seung Hee Kwon、Hyoung Jin Choi2016-01-15Materials

This short Feature Article reviews electric stimuli-responsive polymer/clay nanocomposites with respect to their fabrication, physical characteristics and electrorheological (ER) behaviors under applied electric fields when dispersed in oil. Their structural characteristics, morphological features and thermal degradat…

Polymer Nanocomposites and PropertiesVibration Control and Rheological FluidsDielectric materials and actuators

Local Jahn-Teller distortions and orbital ordering in Ba3Cu1+xSb2−xO9 investigated by neutron scattering

Bing Li、Despina Louca、Mikhail Feygenson 等 6 位作者2016-01-15Physical review. B./Physical review. B

A spin-orbital quantum liquid state is theoretically proposed in the honeycomb lattice of ${\mathrm{Ba}}_{3}{\mathrm{CuSb}}_{2}{\mathrm{O}}_{9}$, enabled by dynamic short-range correlations between the spin and orbital degrees of freedom. Using neutron diffraction, the local atomic structure of ${\mathrm{Ba}}_{3}{\mat…

Physics of Superconductivity and MagnetismMagnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter Physics

Photocurrent Generation of Graphene Oxide Hybrid with Ru(II) Complex

Takeshi Matsui、Mohammad Razaul Karim、Hiroshi Takehira 等 7 位作者2016-01-15Chemistry Letters

A graphene oxide (GO) and ruthenium(II) complex with bromine-substituted terpyridine ligand, [Ru(Br-terpy)2]Cl2 (Br-terpy: 4′-bromo-2,2′:6′,2′′-terpyridine), reacts to form a GO–[Ru(Br-terpy)2]2+ hybrid, which after photoreduction turns to the reduced graphene oxide (rGO)-based hybrid rGO–[Ru(Br-terpy)2]2+. The hybrid…

Advanced Photocatalysis TechniquesGraphene research and applicationsGraphene and Nanomaterials Applications

Nitriding of Fe–18Cr–11Mn powders using mechanical alloying method through aerating nitrogen circularly

Cuiyuan Duan、Yifu Shen、Xiaomei Feng 等 5 位作者2016-01-15Materials Science and Technology

Mechanical alloying (MA) method was applied to nitride Fe–18Cr–11Mn stainless steel powders through aerating nitrogen circularly. Both the MA process and increasing nitrogen pressure circularly caused the expansion of nitrogen solubility in Fe. The microstructure of powders was affected by the milling time. The phase…

Metal and Thin Film MechanicsAdvanced materials and compositesMetal Alloys Wear and Properties