bluuebunny/crossref_metadata_2025 huggingface dataset:
Separation of benzene from mixtures with water, methanol, ethanol, and acetone: highlighting hydrogen bonding and molecular clustering influences in CuBTC
Authors: Gutiérrez-Sevillano Juan José , Calero Sofia , Krishna Rajamani
Published: July 2015

Molecular clustering effects exert strong influences on adsorption and diffusion of water, methanol, ethanol, and benzene in CuBTC.
Framework structured Na4Mn4Ti5O18 as an electrode for Na-ion storage hybrid devices
Authors: Jayakumar M. , Hemalatha K. , Ramesha K. , Prakash A. S.
Published: July 2015

In this study, framework structured Na4Mn4Ti5O18 possessing S-shaped tunnels for sodium intercalation is reported as an electrode for hybrid sodium ion batteries.
Photosynthetic diode: electron transport rectification by wetting the quinone cofactor
Authors: Martin Daniel R. , Matyushov Dmitry V.
Published: July 2015

Electrowetting acts to rectify bacterial electron transport. Hydration of the quinone cofactor in the protein pocket following electron transfer prevents the backward reaction.
Correction: “On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer
Authors: Spura Thomas , Elgabarty Hossam , Kühne Thomas D.
Published: July 2015

Correction for “On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer` by Thomas Spura et al., Phys. Chem. Chem. Phys., 2015, 17, 14355–14359.
Correction: Surface modification and endothelialization of biomaterials as potential scaffolds for vascular tissue engineering applications
Authors: Ren Xiangkui , Feng Yakai , Guo Jintang , Wang Haixia , Li Qian , Yang Jing , Hao Xuefang , Lv Juan , Ma Nan , Li Wenzhong
Published: July 2015

Correction for ‘Surface modification and endothelialization of biomaterials as potential scaffolds for vascular tissue engineering applications’ by Xiangkui Ren et al., Chem. Soc. Rev., 2015, DOI: 10.1039/c4cs00483c.
Aromatic amine N-oxide organometallic compounds: searching for prospective agents against infectious diseases
Authors: Rodríguez Arce Esteban , Mosquillo M. Florencia , Pérez-Díaz Leticia , Echeverría Gustavo A. , Piro Oscar E. , Merlino Alicia , Coitiño E. Laura , Maríngolo Ribeiro Camila , Leite Clarice Q. F. , Pavan Fernando R. , Otero Lucía , Gambino Dinorah
Published: July 2015

1,1′-Bis(diphenylphosphino)ferrocene pyridine-2-thiolato-1-oxide Pd(ii) and Pt(ii) hexafluorophosphate compounds showed cytotoxicity on T. cruzi and M. tuberculosis.
Heterogeneous intergrowth xLi1.5Ni0.25Mn0.75O2.5·(1 − x)Li0.5Ni0.25Mn0.75O2 (0 ≤ x ≤ 1) composites: synergistic effect on electrochemical performance
Authors: Zheng Zhuo , Hua Wei-Bo , Yu Chong , Zhong Yan-Jun , Xu Bin-Bin , Wang Jia-zhao , Zhong Ben-He , Zhang Zhi-Ye
Published: July 2015

A series of xLi1.5Ni0.25Mn0.75O2.5·(1 − x)Li0.5Ni0.25Mn0.75O2 (0 ≤ x ≤ 1) cathode materials have been synthesized.
Polyfluorinated carba-closo-dodecaboranes with amino and ammonio substituents bonded to boron
Authors: Konieczka Szymon Z. , Drisch Michael , Edkins Katharina , Hailmann Michael , Finze Maik
Published: July 2015

The three isoelectronic inner salts 1-H-x-H3N-closo-1-CB11F10 (x = 12, 7, 2) are accessible by fluorination of x-H3N-closo-1-CB11H11 (x = 12, 2) and 7-H3N-12-F-closo-1-CB11H10, respectively. Deprotonation of the decafluorinated ammoniocarba-closo-dodecaboranes yields the corresponding aminocarba-closo-dodecaborate anions [1-H-x-H2N-closo-1-CB11F10]− (x = 12, 7, 2).
Dichlorodioxomolybdenum(vi) complexes bearing oxygen-donor ligands as olefin epoxidation catalysts
Authors: Oliveira Tânia S. M. , Gomes Ana C. , Lopes André D. , Lourenço João P. , Almeida Paz Filipe A. , Pillinger Martyn , Gonçalves Isabel S.
Published: July 2015

The complexes [MoO2Cl2(N,N-dimethylbenzamide)2] and [MoO2Cl2(N,N′-diethyloxamide)] are active olefin epoxidation catalysts and can be easily recycled when using ionic liquid solvents.
Ionothermal synthesis, crystal structure, topology and catalytic properties of heterometallic coordination polymers constructed from N-(phosphonomethyl) iminodiacetic acid
Authors: Yang Ting-Hai , Silva Ana Rosa , Fu Lianshe , Shi Fa-Nian
Published: July 2015

Four FeLn heterometallic coordination polymers with the H4pmida ligand were ionothermally synthesized and characterized. Their catalytic properties in the Knöevenagel condensation reaction were investigated.
Synthesis and optical properties of subphthalocyanine homo- and heterodimers axially connected via a hydroquinone linker
Authors: Mori Satoru , Ogawa Naoya , Tokunaga Etsuko , Shibata Norio
Published: July 2015

The electron transfer process between subphthalocyanines differs depending on the o-, m-, and p-geometries of the hydroquinone linker.
Particle transport through an inductively coupled plasma torch: elemental droplet evaporation
Authors: Aghaei M. , Bogaerts A.
Published: July 2015

The transport of copper droplets which are injected “on” or “off” axis is computationally studied.
Synthesis and biology of 1,4-benzodioxane lignan natural products
Authors: Pilkington Lisa I. , Barker David
Published: July 2015

This review describes the evolution of synthetic methods towards 1,4-benzodioxane lignan natural products, from early biomimetic approaches to recent enantiospecific syntheses. Additionally, a comprehensive report of their biosynthesis and significant biological activities is detailed.
Effective delivery of a rationally designed intracellular peptide drug with gold nanoparticle–peptide hybrids
Authors: Lee Daiyoon , Zhao Jinbo , Yang Hong , Xu Shuyun , Kim Hyunhee , Pacheco Shaun , Keshavjee Shaf , Liu Mingyao
Published: July 2015

This paper reports a novel intracellular peptide delivery strategy using gold nanoparticle–peptide hybridization for the treatment of acute lung injury.
Multiple coupling in plasmonic metal/dielectric hollow nanocavity arrays for highly sensitive detection
Authors: Yin Jun , Zang Yashu , Yue Chuang , He Xu , Yang Hongtao , Wu De-Yin , Wu Min , Kang Junyong , Wu Zhihao , Li Jing
Published: July 2015

The multiple coupling effect within the plasmonic cavities and consequently generated hot spots ensure that these composite nanostructure arrays are a suitable SERS substrate for bio-sensing.
Photoresponsive self-assembled hexameric capsules based on calix[4]resorcinarenes bearing azobenzene dendron conjugates as side chains
Authors: Sakano Tsubasa , Ohashi Toshifumi , Yamanaka Masamichi , Kobayashi Kenji
Published: July 2015

Calix[4]resorcinarenes with azobenzene dendron conjugates achieve control of the assembly–disassembly–reassembly process of the hydrogen-bonded hexameric capsules by a light stimulus.
Preparation of graphene oxide/bio-based elastomer nanocomposites through polymer design and interface tailoring
Authors: Qiao He , Wang Runguo , Yao Hui , Zhou Xinxin , Lei Weiwei , Hu Xiaoran , Zhang Liqun
Published: July 2015

Through polymer design and interface tailoring, ionic bonding interfaces were introduced to graphene oxide (GO)/bio-based elastomer nanocomposites.
Chirality amplification in helical block copolymers. Synthesis and chiroptical properties of block copolymers of chiral/achiral acetylene monomers
Authors: Kumazawa Shohei , Rodriguez Castanon Jesus , Shiotsuki Masashi , Sato Takahiro , Sanda Fumio
Published: July 2015

Block copolymers of N-tert-butoxycarbonyl-l-valine 4-ethynylanilide (1a) and N-tert-butoxycarbonylglycine 4-ethynylanilide (1b) with various compositions were synthesized by block copolymerization using a [(nbd)Rh{C(Ph)CPh2}(PPh3)]/PPh3 catalyst.
Transition from isolated to interacting copper(ii) pairs in extended lattices evaluated by single crystal EPR spectroscopy
Authors: Neuman Nicolás I. , Burna Emerson , Baggio Ricardo , Passeggi Mario C. G. , Rizzi Alberto C. , Brondino Carlos D.
Published: July 2015

Single crystal EPR experiments in copper-doped dimeric Zn(tda)(phen) allowed determination of Cu(ii) g- and A-matrices and ZFS parameters, which are used to evaluate the interdimeric exchange interaction in pure Cu(tda)(phen).
Low-temperature nanoredox two-step sintering of gelatin nanoskin-stabilized submicrometer-sized copper fine particles for preparing highly conductive layers
Authors: Yonezawa Tetsu , Tsukamoto Hiroki , Matsubara Masaki
Published: July 2015

A conductive paste was prepared with submicrometer-sized copper fine particles that were coated by a gelatin nanoskin.
Modification of a thin layer of α-Fe2O3 onto a largely voided TiO2 nanorod array as a photoanode to significantly improve the photoelectrochemical performance toward water oxidation
Authors: Jia Lianwen , Xie Jiale , Guo Chunxian , Li Chang Ming
Published: July 2015

A largely voided TiO2 nanorod array was modified with Fe2O3 thin layers to deliver ∼3.3 times higher the applied bias photon-to-current efficiency than that of a plain TiO2 nanorod array.
Copillar[5]arene-based supramolecular polymer gel: controlling stimuli–response properties through a novel strategy with surfactant
Authors: Wei Taibao , Li Hui , Zhu Yuanrong , Lu Taotao , Shi Bingbing , Lin Qi , Yao Hong , Zhang Youming
Published: July 2015

Cartoon representation of self-assembly pathway of gelator DCP5-16 with G in CD3CN.
Synthesis and antioxidant activity of DOPA peptidomimetics by a novel IBX mediated aromatic oxidative functionalization
Authors: Bizzarri Bruno Mattia , Pieri Cristina , Botta Giorgia , Arabuli Lili , Mosesso Pasquale , Cinelli Serena , Schinoppi Angelo , Saladino Raffele
Published: July 2015

DOPA peptidomimetics with stable O–C and N–C covalent bonds between amino acid residues have been prepared by aromatic oxidative functionalization of tyrosine with 2-iodoxybenzoic acid (IBX).
One-pot layer casting-guided synthesis of nanospherical aluminosilica@organosilica@alumina core–shells wrapping colorant dendrites for environmental application
Authors: El-Safty Sherif A. , Sakai Masaru , Selim Mahmoud M. , Alhamide Abdulaziz A.
Published: July 2015

Wrapping of dendritic colorant aggregates around core–double shell cavities afforded a container vehicle tracking architecture for recovering toxins in environments.
Highly efficient NIR to visible upconversion in a ZnO:Er,Yb thin film deposited by a AACVD atmospheric pressure process
Authors: Elleuch R. , Salhi R. , Deschanvres J.-L. , Maalej R.
Published: July 2015

A ZnO:Er,Yb hexagonal wurtzite phase structured thin film with highly efficient NIR to visible upconversion emissions.
Effect of membrane-casting parameters on the microstructure and gas permeation of carbon membranes
Authors: Zhang Bing , Li Lin , Wang Chunlei , Pang Jing , Zhang Shouhai , Jian Xigao , Wang Tonghua
Published: July 2015

A study on the controlled fabrication of carbon membranes by varying membrane-casting parameters, including solvent, drying method and pyrolysis temperature.
Carbide complexes as π-acceptor ligands
Authors: Reinholdt Anders , Vibenholt Johan E. , Morsing Thorbjørn J. , Schau-Magnussen Magnus , Reeler Nini E. A. , Bendix Jesper
Published: July 2015

A terminal carbide complex binds as a π-acceptor towards electron-rich metal centers, mirroring CO, and provides the first homoleptic, carbide-ligated complex.
Soft microcapsules with highly plastic shells formed by interfacial polyelectrolyte–nanoparticle complexation
Authors: Kaufman Gilad , Nejati Siamak , Sarfati Raphael , Boltyanskiy Rostislav , Loewenberg Michael , Dufresne Eric R. , Osuji Chinedum O.
Published: July 2015

We present a single-step microfluidic approach to fabricate soft microcapsules with nanoparticle–polyelectrolyte and protein–polyelectrolyte shells, and show control of mechanical and release properties.
Can the scaling behavior of electric conductivity be used to probe the self-organizational changes in solution with respect to the ionic liquid structure? The case of [C8MIM][NTf2]
Authors: Paluch Marian , Wojnarowska Zaneta , Goodrich Peter , Jacquemin Johan , Pionteck Jürgen , Hensel-Bielowka Stella
Published: July 2015

Scaling exponent as a key parameter to probe self-organization changes in solution with respect to the IL structure.
Investigation of the effect of large aromatic fusion in the small molecule backbone on the solar cell device fill factor
Authors: Feng Huanran , Li Miaomiao , Ni Wang , Liu Feng , Wan Xiangjian , Kan Bin , Wang Yunchuang , Zhang Yamin , Zhang Qian , Zuo Yi , Yang Xuan , Chen Yongsheng
Published: July 2015

Molecules DR3TCz and DR2TDTCz were synthesized and DR2TDTCz exhibits a PCE up to 7.03% with a FF of 75%.
Mg–Fe–Al–O for advanced CO2to CO conversion: carbon monoxide yield vs. oxygen storage capacity
Authors: Dharanipragada N. V. R. Aditya , Buelens Lukas C. , Poelman Hilde , De Grave Eddy , Galvita Vladimir V. , Marin Guy B.
Published: July 2015

A detailed study of new oxygen carrier materials, Mg–Fe–Al–O, with various loadings of iron oxide (10–100 wt% Fe2O3) is carried out in order to investigate the relationship between material transformation, stability and CO yield from CO2conversion.
In situ growth of spinel CoFe2O4 nanoparticles on rod-like ordered mesoporous carbon for bifunctional electrocatalysis of both oxygen reduction and oxygen evolution
Authors: Li Pengxi , Ma Ruguang , Zhou Yao , Chen Yongfang , Zhou Zhenzhen , Liu Guanghui , Liu Qian , Peng Guihua , Liang Zhenhua , Wang Jiacheng
Published: July 2015

A bifunctional electrocatalyst for both oxygen reduction and oxygen evolution was prepared by in situ growth of CoFe2O4 nanoparticles on rod-like ordered mesoporous carbon.
3D flower-like NaHTi3O7 nanotubes as high-performance anodes for sodium-ion batteries
Authors: Wang Shuai , Wang Wei , Zhan Pan , Yuan Yan , Jiao Kailong , Jiao Handong , Jiao Shuqiang
Published: July 2015

The NaHTi3O7 nanotubes have been investigated for use as an anode material for sodium-ion batteries.
Synthesis and facet-dependent enhanced photocatalytic activity of Bi2SiO5/AgI nanoplate photocatalysts
Authors: Wan Zhen , Zhang Gaoke
Published: July 2015

Schematic illustration of the inner electric field in {100} facets of the Bi2SiO5 nanoplates and the transportation of the Bi2SiO5/AgI nanoplates.
A facile approach to alleviate photochemical degradation in high efficiency polymer solar cells
Authors: Huang Wenchao , Gann Eliot , Xu Zai-Quan , Thomsen Lars , Cheng Yi-Bing , McNeill Christopher R.
Published: July 2015

We report a simple approach to significantly improve the chemical stability of high efficiency PBDTTT-EFT:PC71BM solar cells. The introduction of an anti-solvent treatment during the spin-coating process induces the fast deposition of the active layer and the prompt removal of residual DIO from the film.
Carbon nanostructure modified enzyme-catalyzed biosensor for bio-electrochemical NADH regeneration
Authors: Shuo-Han Shuo-Han , Zhang Jing-bin , Gao Xiong-ying , Ying Han-jie
Published: July 2015

Carbon nanostructure modified enzyme-catalyzed biosensor with enzyme molecular computer simulation for bio-electrochemical NADH regeneration.
Reliable doping and carrier concentration control in graphene by aerosol-derived metal nanoparticles
Authors: Lee Jong-Kwon , Sung Hyangki , Jang Min Seok , Yoon Heetae , Choi Mansoo
Published: July 2015

We report a new metal-graphene contact approach using aerosol-derived metal nanoparticles with consistent size and configuration, which affords reliable carrier concentration control in graphene with no appreciable damage on graphene surface.
Nano surface engineering of Mn2O3for potential light-harvesting application
Authors: Kar Prasenjit , Sardar Samim , Ghosh Srabanti , Parida Manas R. , Liu Bo , Mohammed Omar F. , Lemmens Peter , Pal Samir Kumar
Published: July 2015

Manganese oxides are shown to be applied materials including their use as efficient catalysts for various environmental applications.
Non-laminated growth of chlorine-doped zinc oxide films by atomic layer deposition at low temperatures
Authors: Choi Yong-June , Kang Kyung-Mun , Lee Hong-Sub , Park Hyung-Ho
Published: July 2015

Chlorine doping in a ZnO matrix to a concentration of 0.65 ± 0.05 at% was accomplished via atomic layer deposition using a home-made chlorine source at a low deposition temperature of 140 °C.
The Value of Qualitative Research in Dysphagia in the Head and Neck Cancer Population: What Can We Learn From the Survivors' Perspective?
Authors: Nund Rebecca , Ward Elizabeth , Scarinci Nerina , Cartmill Bena
Published: July 2015

Dysphagia is a common acute and long-term side effect of curative, non-surgical treatment for head and neck cancer (HNC). Despite what is known about dysphagia associated with HNC treatment in terms of its prevalence, severity, physiological characteristics, and the associated effects on quality of life (QoL), our understanding of the key factors which impact on HNC survivors is only just emerging. Whilst quantitative research studies have demonstrated that most people experience dysphagia in the early post-treatment period, and that many people continue to have ongoing swallowing issues for months and years following treatment, emerging qualitative research in this field has provided insights into the extent to which the presence of dysphagia impacts on the everyday lives of people with HNC. By exploring issues from the perspectives of people living with dysphagia, qualitative research has highlighted those factors that have the greatest impact on oral intake, raised issues for service provision, and highlighted the need for additional professional involvement and better long term supportive care.
Effect of infill patterns on print quality of dispenser‐printed electronic ink
Authors: de Vos M. , Torah R. , Tudor J.
Published: July 2015

The effect of six different infill patterns on the print quality of a dispenser‐printed silver ink on Kapton polyimide film is investigated. The results indicate that improved and more complex printed electronic structures can be produced due to the improvement in print homogeneity. Dispenser printing is a rapid manufacturing process using direct write technology that can be used to deposit a broad range of inks onto substrates irrespective of their surface geometry. Standard three‐dimensional printer infill patterns known as line, rectilinear, concentric, honeycomb, Hilbert curve and Archimedean chords were tested at densities of 30, 50 and 70%. The prints were timed allowing comparison of print speed. After curing, the coverage was checked and the surface roughness (Ra) was measured. The results showed that only the rectilinear infill pattern at 50% density print, and the rectilinear and honeycomb infill patterns at 70% density achieved 100% coverage. The 50% rectilinear print was the fastest of the 100% coverage prints, and the 70% honeycomb print had the lowest surface roughness. The rectilinear pattern at 50% is recommended if there is only one layer to print. The honeycomb pattern is recommended for multilayer prints, where surface roughness is the key.
Numerical studies of thermal convection with temperature- and pressure-dependent viscosity at extreme viscosity contrasts
Authors: Khaleque Tania S. , Fowler A. C. , Howell P. D. , Vynnycky M.
Published: July 2015

Motivated by convection of planetary mantles, we consider a mathematical model for Rayleigh-Bénard convection in a basally heated layer of a fluid whose viscosity depends strongly on temperature and pressure, defined in an Arrhenius form. The model is solved numerically for extremely large viscosity variations across a unit aspect ratio cell, and steady solutions for temperature, isotherms, and streamlines are obtained. To improve the efficiency of numerical computation, we introduce a modified viscosity law with a low temperature cutoff. We demonstrate that this simplification results in markedly improved numerical convergence without compromising accuracy. Continued numerical experiments suggest that narrow cells are preferred at extreme viscosity contrasts, and this conclusion is supported by a linear stability analysis.
Communication: Molecular dynamics and 1H NMR of n-hexane in liquid crystals
Authors: Weber Adrian C. J. , Burnell E. Elliott , Meerts W. Leo , de Lange Cornelis A. , Dong Ronald Y. , Muccioli Luca , Pizzirusso Antonio , Zannoni Claudio
Published: July 2015

The NMR spectrum of n-hexane orientationally ordered in the nematic liquid crystal ZLI-1132 is analysed using covariance matrix adaptation evolution strategy (CMA-ES). The spectrum contains over 150 000 transitions, with many sharp features appearing above a broad, underlying background signal that results from the plethora of overlapping transitions from the n-hexane as well as from the liquid crystal. The CMA-ES requires initial search ranges for NMR spectral parameters, notably the direct dipolar couplings. Several sets of such ranges were utilized, including three from MD simulations and others from the modified chord model that is specifically designed to predict hydrocarbon-chain dipolar couplings. In the end, only inaccurate dipolar couplings from an earlier study utilizing proton-proton double quantum 2D-NMR techniques on partially deuterated n-hexane provided the necessary estimates. The precise set of dipolar couplings obtained can now be used to investigate conformational averaging of n-hexane in a nematic environment.
Experimental investigation on plasma parameter profiles on a wafer level with reactor gap lengths in an inductively coupled plasma
Authors: Kim Ju-Ho , Kim Young-Cheol , Chung Chin-Wook
Published: July 2015

The gap length effect on plasma parameters is investigated in a planar type inductively coupled plasma at various conditions. The spatial profiles of ion densities and the electron temperatures on the wafer level are measured with a 2D probe array based on the floating harmonic method. At low pressures, the spatial profiles of the plasma parameters rarely changed by various gap lengths, which indicates that nonlocal kinetics are dominant at low pressures. However, at relatively high pressures, the spatial profiles of the plasma parameter changed dramatically. These plasma distribution profile characteristics should be considered for plasma reactor design and processing setup, and can be explained by the diffusion of charged particles and the local kinetics.
Dynamics of an inverted flexible plate in a uniform flow
Authors: Tang Chao , Liu Nan-Sheng , Lu Xi-Yun
Published: July 2015

The dynamics of an inverted flexible plate with a free leading-edge and a fixed trailing-edge in a uniform flow has been studied numerically by an immersed boundary-lattice Boltzmann method for the fluid flow and a finite element method for the plate deformation. Mechanisms underlying the dynamics of the fluid-plate system are elucidated systematically. A series of distinct states of the plate deformation and motion are identified and can be described as straight, flapping, deflected, deflected-flapping, and asymmetric-flapping states. Which state to occur depends mainly on the bending stiffness and aspect ratio of the plate. The forces exerted on the plate and the elastic strain energy of the plate are analyzed. It is found that the flapping state can improve the conversion of fluid kinetic energy to elastic strain energy. In addition, the effects of the mass ratio of the plate and the fluid, the Reynolds number, and the angle of attack of the uniform flow on the dynamics and the elastic strain energy of flexible plate are also investigated in detail. The vortical structures around the plate are given to discuss the connection of the evolution of vortices with the plate deformation and motion. The results obtained in this study provide physical insight into the understanding of the mechanisms on the dynamics of the fluid-plate system.
On the statistics of wind turbine wake meandering: An experimental investigation
Authors: Howard Kevin B. , Singh Arvind , Sotiropoulos Fotis , Guala Michele
Published: July 2015

Measurements of the instantaneous wake flow from a model wind turbine placed in a turbulent boundary layer were obtained by wall-parallel oriented particle image velocimetry (PIV) in the St. Anthony Falls Laboratory wind tunnel. PIV velocity vector fields were used to investigate mean (expansion angle, wavelength, and wake velocity) and higher order statistics (local slope, curvature, and correlation) describing meandering motions in the turbine wake. These statistics were used to compare the wakes produced by four different wind turbine operating configurations, which include a single turbine operating at two different tip-speed ratios and two turbines aligned with the mean flow. The origin of meandering motions was identified for all cases in the hub vortex signature, which evolved into a stretched or compressed low speed meander in the wall parallel plane, depending on the turbine operating conditions and on the interaction with the wake shear layer. Finally, both autocorrelation and scale-dependent statistics on the velocity minima fluctuations about the meander signature suggest that small scale vortices, found in the hub shear layer and in the wake shear layer, interact with the hub vortex and govern its spatial evolution into large scale wake meandering.
Evolution of interfacial Fermi level in In0.53Ga0.47As/high-κ/TiN gate stacks
Authors: Carr Adra , Rozen John , Frank Martin M. , Ando Takashi , Cartier Eduard A. , Kerber Pranita , Narayanan Vijay , Haight Richard
Published: July 2015

The net charge state was probed of metal-oxide-semiconductor gate stacks consisting of In0.53Ga0.47As /high-κ dielectric/5 nm TiN, for both Al2O3 and HfO2 dielectrics, via investigation of band bending at the InGaAs/high-κ interface. Using pump-probe photoelectron spectroscopy, changes to band bending were studied for each sequential layer deposited onto the InGaAs substrate and subsequent annealing up to 600 °C. Two behavioral regions were observed in annealing studies: (1) a lower temperature (<350 °C) region, attributed to changes at the high-κ/TiN interface, and (2) a higher temperature region (> 350 °C), associated with a net positive charge increase within the oxide. These band bending measurements delineate the impact of processing steps inherently inaccessible via capacitance-voltage electrical characterization.
IR and SFG vibrational spectroscopy of the water bend in the bulk liquid and at the liquid-vapor interface, respectively
Authors: Ni Yicun , Skinner J. L.
Published: July 2015

Vibrational spectroscopy of the water bending mode has been investigated experimentally to study the structure of water in condensed phases. In the present work, we calculate the theoretical infrared (IR) and sum-frequency generation (SFG) spectra of the HOH bend in liquid water and at the water liquid/vapor interface using a mixed quantum/classical approach. Classical molecular dynamics simulation is performed by using a recently developed water model that explicitly includes three-body interactions and yields a better description of the water surface. Ab-initio-based transition frequency, dipole, polarizability, and intermolecular coupling maps are developed for the spectral calculations. The calculated IR and SFG spectra show good agreement with the experimental measurements. In the theoretical imaginary part of the SFG susceptibility for the water liquid/vapor interface, we find two features: a negative band centered at 1615 cm−1 and a positive band centered at 1670 cm−1. We analyze this spectrum in terms of the contributions from molecules in different hydrogen-bond classes to the SFG spectral density and also compare to SFG results for the OH stretch. SFG of the water bending mode provides a complementary picture of the heterogeneous hydrogen-bond configurations at the water surface.
The triple decomposition of a fluctuating velocity field in a multiscale flow
Authors: Baj P. , Bruce P. J. K. , Buxton O. R. H.
Published: July 2015

A new method for the triple decomposition of a multiscale flow, which is based on the novel optimal mode decomposition (OMD) technique, is presented. OMD provides low order linear dynamics, which fits a given data set in an optimal way and is used to distinguish between a coherent (periodic) part of a flow and a stochastic fluctuation. The method needs no external phase indication since this information, separate for coherent structures associated with each length scale introduced into the flow, appears as the output. The proposed technique is compared against two traditional methods of the triple decomposition, i.e., bin averaging and proper orthogonal decomposition. This is done with particle image velocimetry data documenting the near wake of a multiscale bar array. It is shown that both traditional methods are unable to provide a reliable estimation for the coherent fluctuation while the proposed technique performs very well. The crucial result is that the coherence peaks are not observed within the spectral properties of the stochastic fluctuation derived with the proposed method; however, these properties remain unaltered at the residual frequencies. This proves the method’s capability of making a distinction between both types of fluctuations. The sensitivity to some prescribed parameters is checked revealing the technique’s robustness. Additionally, an example of the method application for analysis of a multiscale flow is given, i.e., the phase conditioned transverse integral length is investigated in the near wake region of the multiscale object array.
Phonon-engineered thermal transport in Si wires with constant and periodically modulated cross-sections: A crossover between nano- and microscale regimes
Authors: Cocemasov A. I. , Nika D. L. , Fomin V. M. , Grimm D. , Schmidt O. G.
Published: July 2015

The transition between nanoscale and microscale thermal transport regime at room temperature in silicon wires with constant and periodically modulated cross-section is theoretically investigated. Extrapolating the calculated thermal conductivity from the nano- to micrometer range, we find the characteristic dimensions of the wires where a crossover between nanoscale and microscale thermal transport occurs. This crossover is observed in both generic (smooth) and cross-section-modulated wires. In case of smooth silicon wires, we reveal a strong dependence of the crossing point position on the boundary roughness. For silicon wires with weak boundary roughness, the crossover occurs at cross-sections ∼60 nm × 300 nm, while for very rough boundaries it occurs at cross-sections ∼150 nm × 750 nm. In case of the periodically modulated wires, the crossover between nano- and microscale regimes occurs at typical cross-sections ∼120 nm × 120 nm of the narrow segment, and it is almost independent of boundary roughness. A strong distinction from the case of smooth wires is attributed (i) to the different trends at the nanometer scale, wherefrom the extrapolation was performed, and (ii) to the different phonon–boundary scattering due to the specific geometry. For modulated silicon wires, the influence of modulation thickness, modulation length, and cross-sectional area on the phonon thermal conductivity at the room temperature is analyzed. A possibility of thermal transport engineering in cross-section-modulated wires by resizing them is revealed in both nano- and microscale regimes. The presented results pave the way towards a better understanding of thermal transport reduction in Si nanowires with engineered diameter modulations and shed light on the crossover between nano- and microscale regimes of thermal transport.
Spin selective filtering of polariton condensate flow
Authors: Gao T. , Antón C. , Liew T. C. H. , Martín M. D. , Hatzopoulos Z. , Viña L. , Eldridge P. S. , Savvidis P. G.
Published: July 2015

Spin-selective spatial filtering of propagating polariton condensates, using a controllable spin-dependent gating barrier, in a one-dimensional semiconductor microcavity ridge waveguide is reported. A nonresonant laser beam provides the source of propagating polaritons, while a second circularly polarized weak beam imprints a spin dependent potential barrier, which gates the polariton flow and generates polariton spin currents. A complete spin-based control over the blocked and transmitted polaritons is obtained by varying the gate polarization.
Non-proportionality of magnetic anisotropy and damping in CoFeB/MgO-based systems
Authors: Sabino Maria Patricia Rouelli , Lim Sze Ter , Wong Seng Kai , Ng Serene , Tran Michael
Published: July 2015

We study the relationship between anisotropy K and damping α in MgO/CoFeB/Ta/CoFeB/MgO/cap films using vector network analyzer ferromagnetic resonance. Capping the stack with Ta and changing the thickness of the top MgO layer allow us to create significant variations in anisotropy while keeping the thickness and process conditions of the magnetic layer constant. The change in anisotropy can be attributed to the degradation of the CoFeB/MgO interface due to Ta intermixing with MgO upon deposition. This hypothesis is supported by measurements of similar samples with the bottom MgO thickness varied instead, which exhibit no significant change in anisotropy. This method of varying K allows identifying a regime where a spin reorientation transition occurs while α remains constant, proving the non-proportionality of K and α in perpendicular CoFeB/MgO systems. The effects of changing the capping layer material, notably Ru, are also discussed.
Interface engineering in epitaxial growth of layered oxides via a conducting layer insertion
Authors: Yun Yu , Ma Chao , Zhai Xiaofang , Huang Haoliang , Meng Dechao , Wang Jianlin , Fu Zhengping , Peng Ranran , Brown Gail J. , Lu Yalin
Published: July 2015

There is a long-standing challenge in the fabrication of layered oxide epitaxial films due to their thermodynamic phase-instability and the large stacking layer number. Recently, the demand for high-quality thin films is strongly pushed by their promising room-temperature multiferroic properties. Here, we find that by inserting a conducting and lattice matched LaNiO3 buffer layer, high quality m = 5 Bi6FeCoTi3O18 epitaxial films can be fabricated using the laser molecular beam epitaxy, in which the atomic-scale sharp interface between the film and the metallic buffer layer explains the enhanced quality. The magnetic and ferroelectric properties of the high quality Bi6FeCoTi3O18 films are studied. This study demonstrates that insertion of the conducting layer is a powerful method in achieving high quality layered oxide thin films, which opens the door to further understand the underline physics and to develop new devices.
Enhanced off-resonance magnetoelectric response in laser annealed PZT thick film grown on magnetostrictive amorphous metal substrate
Authors: Palneedi Haribabu , Maurya Deepam , Kim Gi-Yeop , Priya Shashank , Kang Suk-Joong L. , Kim Kwang-Ho , Choi Si-Young , Ryu Jungho
Published: July 2015

A highly dense, 4 μm-thick Pb(Zr,Ti)O3 (PZT) film is deposited on amorphous magnetostrictive Metglas foil (FeBSi) by granule spray in vacuum process at room temperature, followed by its localized annealing with a continuous-wave 560 nm ytterbium fiber laser radiation. This longer-wavelength laser radiation is able to anneal the whole of thick PZT film layer without any deteriorative effects, such as chemical reaction and/or atomic diffusion, at the interface and crystallization of amorphous Metglas substrate. Greatly enhanced dielectric and ferroelectric properties of the annealed PZT are attributed to its better crystallinity and grain growth induced by laser irradiation. As a result, a colossal off-resonance magnetoelectric (ME) voltage coefficient that is two orders of magnitude larger than previously reported output from PZT/Metglas film-composites is achieved. The present work addresses the problems involved in the fabrication of PZT/Metglas film-composites and opens up emerging possibilities in employing piezoelectric materials with low thermal budget substrates (suitable for integrated electronics) and designing laminate composites for ME based devices.
Structural and functional connectivity as a driver of hillslope erosion following disturbance
Authors: Williams C. Jason , Pierson Frederick B. , Robichaud Peter R. , Al-Hamdan Osama Z. , Boll Jan , Strand Eva K.
Published: July 2015

Hydrologic response to rainfall on fragmented or burnt hillslopes is strongly influenced by the ensuing connectivity of runoff and erosion processes. Yet cross-scale process connectivity is seldom evaluated in field studies owing to scale limitations in experimental design. This study quantified surface susceptibility and hydrologic response across point to hillslope scales at two degraded unburnt and burnt woodland sites using rainfall simulation and hydrologic modelling. High runoff (31–47 mm) and erosion (154–1893 g m–2) measured at the patch scale (13 m2) were associated with accumulation of fine-scale (0.5-m2) splash-sheet runoff and sediment and concentrated flow formation through contiguous bare zones (64–85% bare ground). Burning increased the continuity of runoff and sediment availability and yield. Cumulative runoff was consistent across plot scales whereas erosion increased with increasing plot area due to enhanced sediment detachment and transport. Modelled hillslope-scale runoff and erosion reflected measured patch-scale trends and the connectivity of processes and sediment availability. The cross-scale experiments and model predictions indicate the magnitude of hillslope response is governed by rainfall input and connectivity of surface susceptibility, sediment availability, and runoff and erosion processes. The results demonstrate the importance in considering cross-scale structural and functional connectivity when forecasting hydrologic and erosion responses to disturbances.
Stochastic game dynamics under demographic fluctuations
Authors: Huang Weini , Hauert Christoph , Traulsen Arne
Published: July 2015

Significance

This contribution breaks with the tradition to restrict stochastic evolutionary game dynamics to populations of constant size and introduces a theoretical framework to investigate relevant and natural changes arising in populations that vary in size according to fitness—a feature common to many real biological systems. Explicitly including ecological variation can result in significant effects on the stochastic evolutionary trajectories while providing a transparent link to the established, deterministic Lotka–Volterra systems.
Behavioral consequences of selective damage to frontal pole and posterior cingulate cortices
Authors: Mansouri Farshad A. , Buckley Mark J. , Mahboubi Majid , Tanaka Keiji
Published: July 2015

Significance

Frontal pole cortex (FPC) refers to the most anterior part of prefrontal cortex, a region that is highly developed in anthropoid primates. However, because of technical difficulties in studying this area, its role in primate cognition had remained largely unknown. We studied effects of selective bilateral lesions within FPC on monkeys’ cognitive flexibility. FPC lesion did not impair the performance in well-learned cognitively demanding tasks. However, FPC-lesioned monkeys remained more focused than control monkeys in exploiting the current task when they faced newly introduced interruptions by a simple secondary task or free rewards. This unique pattern of behavioral changes in FPC-lesioned monkeys suggests that FPC is involved in redistribution of cognitive resources from the current task to novel opportunities.
The EBF transcription factor Collier directly promotes
Drosophila
blood cell progenitor maintenance independently of the niche
Authors: Benmimoun Billel , Polesello Cédric , Haenlin Marc , Waltzer Lucas
Published: July 2015

Significance

Blood cell homeostasis relies on the maintenance of a pool of progenitors and the production of the different hematopoietic lineages. How this equilibrium is regulated by intrinsic genetic programs and extrinsic environmental cues is a key question. Here, we reveal the central role of the conserved EBF transcription factor Collier in the control of
Drosophila
larval blood cell fate. Notably, besides its function in the development of a small set of cells that are required for blood cell differentiation in response to infection by parasitic wasps, we show that Collier directly promotes hematopoietic progenitor maintenance. Our results provide a better understanding of the regulation of
Drosophila
hematopoiesis and open new perspectives concerning the role of EBF factors in mammals.
Tracing the ingredients for a habitable earth from interstellar space through planet formation
Authors: Bergin Edwin A. , Blake Geoffrey A. , Ciesla Fred , Hirschmann Marc M. , Li Jie
Published: July 2015

Significance

With the rapid pace at which exoplanets are being discovered, many efforts have now been dedicated to identifying which planets are expected to have the ingredients necessary for the development of life. In this work we explore the relative disposition of the essential elements carbon and nitrogen in each stage of star and planet formation, using the Earth and our solar system as grounding data. Our results suggest that planets like the Earth are readily supplied with these key elements, but their relative amounts on the surface and in the atmosphere will be highly variable.
Long noncoding RNA derived from CD244 signaling epigenetically controls CD8
+
T-cell immune responses in tuberculosis infection
Authors: Wang Yang , Zhong Huiling , Xie Xiaodan , Chen Crystal Y. , Huang Dan , Shen Ling , Zhang Hui , Chen Zheng W. , Zeng Gucheng
Published: July 2015

Significance

Tuberculosis (TB) infection induces up-regulation of T cell-inhibitory molecules on CD8
+
T cells, which may induce impairment of CD8
+
T-cell immunity. However, how T cell-inhibitory molecules regulate CD8
+
T-cell immune responses during TB infection remains unclear. Here, we demonstrate that CD244, a T cell-inhibitory molecule, mediates inhibition of IFN-γ and TNF-α expression through inducing expression of a long noncoding RNA (lncRNA)-CD244. lncRNA-CD244 physically interacts with a chromatin-modification enzyme, enhancer of zeste homolog 2 (EZH2), and mediates modification of a more repressive chromatin state in
infg
and
tnfa
loci. Knock down of lncRNA-CD244 significantly enhances IFN-γ and TNF-α expression and improves protective immunity of CD8
+
T cells. This study therefore uncovers a previously unknown mechanism for T-cell immune responses regulated by lncRNA during TB infection.
Limits and patterns of cytomegalovirus genomic diversity in humans
Authors: Renzette Nicholas , Pokalyuk Cornelia , Gibson Laura , Bhattacharjee Bornali , Schleiss Mark R. , Hamprecht Klaus , Yamamoto Aparecida Y. , Mussi-Pinhata Marisa M. , Britt William J. , Jensen Jeffrey D. , Kowalik Timothy F.
Published: July 2015

Significance

Human cytomegalovirus (HCMV) is the leading cause of birth defects associated with infections and a leading cause of transplantation failure. This study reveals the patterns and limits of HCMV genomic diversity by performing a large-scale analysis of HCMV sequences sampled from human hosts, identifying the hot and cold spots of variability. We find that the diversity is unevenly distributed across three host compartments and show that HCMV populations of vascular compartments are genetically constrained while enriched for polymorphisms of glycoproteins and regulatory proteins. This work significantly advances our understanding of the genomic diversity of HCMV in humans and has clear implications for the development of therapeutics against HCMV.
Skip residues modulate the structural properties of the myosin rod and guide thick filament assembly
Authors: Taylor Keenan C. , Buvoli Massimo , Korkmaz Elif Nihal , Buvoli Ada , Zheng Yuqing , Heinze Nathan T. , Cui Qiang , Leinwand Leslie A. , Rayment Ivan
Published: July 2015

Significance

Myosins are cellular motors that promote muscle contraction by converting chemical energy into mechanical force. The myosin molecule self-assembles through its coiled-coil rod domain into the highly ordered thick filaments of the sarcomeres, which represent the basic contractile unit of the muscle. Because there is limited information about the mechanisms of filament formation, and mutations in the rod domain cause muscle disease, we investigated the molecular properties and function of four regions of the rod containing an extra amino acid (skip residue) predicted to alter the regular organization of the coiled-coil. To our knowledge, this is the first study reporting that these regions fold into specialized structures engaged in promoting proper myosin assembly into the thick filaments.
Molecular basis for the specific recognition of the metazoan cyclic GMP-AMP by the innate immune adaptor protein STING
Authors: Shi Heping , Wu Jiaxi , Chen Zhijian J. , Chen Chuo
Published: July 2015

Significance

The presence of cytosolic DNA in mammalian cells signifies microbial invasions and triggers the DNA sensor protein cGAS to produce the second messenger molecule 2′3′-cGAMP, which elicits innate immune responses by binding to and activating the homodimerized adaptor protein STING. Here we show that the high affinity of the asymmetric ligand 2′3′-cGAMP to the symmetric dimer of STING originates from its unique mixed phosphodiester linkages. 2′3′-cGAMP, but not its linkage isomers, adopts an organized free-ligand conformation that resembles the STING-bound conformation and pays low energy costs in changing into the active conformation. Whereas biological structural studies have focused on analyses of protein conformations, our results demonstrate that analyses of free-ligand conformations can be equally important in understanding protein–ligand interactions.
Structure of a herpesvirus nuclear egress complex subunit reveals an interaction groove that is essential for viral replication
Authors: Leigh Kendra E. , Sharma Mayuri , Mansueto My Sam , Boeszoermenyi Andras , Filman David J. , Hogle James M. , Wagner Gerhard , Coen Donald M. , Arthanari Haribabu
Published: July 2015

Significance

Human cytomegalovirus (HCMV) is an important human pathogen. Current anti-HCMV therapies suffer from toxicities, drug resistance, and/or pharmacokinetic limitations. A possible antiviral drug target is a two-subunit complex that orchestrates nuclear egress, an essential, unusual mechanism by which nucleocapsids move from the nucleus to the cytoplasm during viral replication. We solved the structure of the conserved core of one subunit of the complex, mapped the primary interaction interface with the other subunit, and tested the importance of specific residues for subunit interactions and viral replication. The combined biophysical and biological analyses presented here develop molecular understanding of nuclear egress and identify a groove that includes a large cavity on the subunit as an attractive target for yet to be identified inhibitors.
Chloroplasts extend stromules independently and in response to internal redox signals
Authors: Brunkard Jacob O. , Runkel Anne M. , Zambryski Patricia C.
Published: July 2015

Significance

Chloroplasts are critical, dynamic organelles in plant cells responsible for photosynthesis and myriad other aspects of metabolism. In recent years, plant cell biologists have increasingly focused on the formation of thin, long extensions from plastids called “stromules.” Although stromules have been observed in all land plant species and cell types investigated, we do not know why these projections form or what they do. Here we demonstrate that stromules form in response to light-related redox signals inside the chloroplast. We then show that chloroplasts extracted from plant cells can make stromules independently. These discoveries suggest that stromules may be involved in transmitting signals from within the chloroplast to other subcellular compartments.