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“First‐Principles” kinetic monte carlo simulations revisited: CO oxidation over RuO2(110)

Franziska Heß、Attila Farkas、Ari P. Seitsonen 等 4 位作者2012-01-18Journal of Computational Chemistry

First principles-based kinetic Monte Carlo (kMC) simulations are performed for the CO oxidation on RuO(2) (110) under steady-state reaction conditions. The simulations include a set of elementary reaction steps with activation energies taken from three different ab initio density functional theory studies. Critical co…

Advanced Chemical Physics StudiesCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions

Graphene-Protein Bioelectronic Devices with Wavelength-Dependent Photoresponse

Ye Lu、Mitchell Lerner、Zhengqing John Qi 等 7 位作者2012-01-18ScholarlyCommons (University of Pennsylvania)

We implemented a nanoelectronic interface between graphene field effect transistors (FETs) and soluble proteins. This enables production of bioelectronic devices that combine functionalities of the biomolecular and inorganic components. The method serves to link polyhistidine-tagged proteins to graphene FETs using the…

Graphene research and applicationsMolecular Junctions and NanostructuresNeuroscience and Neural Engineering

Probing the Structure of Colloidal Core/Shell Quantum Dots Formed by Cation Exchange

Keith A. Abel、Paul A. FitzGerald、Tingyu Wang 等 8 位作者2012-01-18The Journal of Physical Chemistry C

Cation-exchange reactions have greatly expanded the types of nanoparticle compositions and structures that can be prepared. For instance, cation-exchange reactions can be utilized for preparation of core/shell quantum dots with improved (photo)stability and photoluminescence quantum yield. Understanding the structure…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsCopper-based nanomaterials and applications

Gold(I)-Coordination Triggered Multistep and Multiple Photochromic Reactions in Multi-Dithienylethene (DTE) Systems

Bin Li、Yu-Hui Wu、Huimin Wen 等 5 位作者2012-01-18Inorganic Chemistry

The preparation, characterization, and photochromic properties of a mononuclear gold(I) complex (1oo) with two identical DTE-acetylides and a dinuclear gold(I) complex (2ooo) with both DTE-acetylide and DTE-diphosphine are described. Both gold(I) complexes exhibit multistep and multiple photocyclization/cycloreversion…

Porphyrin and Phthalocyanine ChemistryPhotochromic and Fluorescence ChemistryPhotoreceptor and optogenetics research

Incomplete Spin Crossover versus Antiferromagnetic Behavior Exhibited in Three-Dimensional Porous Fe(II)-Bis(tetrazolate) Frameworks

Wenting Liu、Jinyan Li、Zhao‐Ping Ni 等 8 位作者2012-01-18Crystal Growth & Design

Two three-dimensional (3D) Fe(II) porous metal–organic frameworks (MOFs) [Fe 2 (H 0.67 bdt) 3 ]·13H 2 O ( 1 ·13H 2 O) and [Fe 3 (ox)(H 0.67 bdt) 3 (H 2 O) 2 ]·solvent ( 2 ·solvent) (H 2 bdt = 5,5′-(1,4-phenylene)bis(1H-tetrazole); H 2 ox = oxalic acid; solvent = 10H 2 O and 9CH 3 OH for 2 ·9MeOH and 6H 2 O and 5C 4 H…

Metal-Organic Frameworks: Synthesis and ApplicationsMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Aptamer-labeled PLGA nanoparticles for targeting cancer cells

Athulya Aravind、Saino Hanna Varghese、Srivani Veeranarayanan 等 11 位作者2012-01-18Cancer Nanotechnology

Cancer is one of the leading causes of death in most parts of the world and is a very serious cause of concern particularly in developing countries. In this work, we prepared and evaluated the aptamer-labeled paclitaxel-loaded poly(lactic- co -glycolic acid) (PLGA) nanoparticles (Apt-PTX-PLGA NPs) which can ameliorate…

Nanoparticle-Based Drug DeliveryAdvanced biosensing and bioanalysis techniquesRNA Interference and Gene Delivery

Terahertz bandpass filters using double-stacked metamaterial layers

Yanhan Zhu、Subash Vegesna、V. Kuryatkov 等 6 位作者2012-01-18Optics Letters

Bandpass filters are reported based on double-stacked metamaterial layers separated by an air gap for operation at terahertz frequencies. Several stacking configurations were investigated designed for a ~0.5 THz center frequency. The filters exhibited improved spectral transmission properties when compared with conven…

Metamaterials and Metasurfaces ApplicationsMillimeter-Wave Propagation and ModelingAdvanced Antenna and Metasurface Technologies

Comparison of Micro- and Nanoscale Fe+3–Containing (Hematite) Particles for Their Toxicological Properties in Human Lung Cells In Vitro

Kunal Bhattacharya、Eik Hoffmann、Roel P. F. Schins 等 12 位作者2012-01-18Toxicological Sciences

The specific properties of nanoscale particles, large surface-to-mass ratios and highly reactive surfaces, have increased their commercial application in many fields. However, the same properties are also important for the interaction and bioaccumulation of the nonbiodegradable nanoscale particles in a biological syst…

Nanoparticles: synthesis and applicationsIron oxide chemistry and applicationsEnvironmental remediation with nanomaterials

Dynamic mechanical analysis and morphological studies of glass/bamboo fiber reinforced unsaturated polyester resin‐based hybrid composites

Subhash Mandal、Sarfaraz Alam2012-01-18Journal of Applied Polymer Science

Abstract Hybrid composites based on isophthalate polyester and vinyl ester resin were fabricated with glass and bamboo fibers. 25, 50, and 75 wt % of glass fibers were replaced by bamboo fibers of the optimized glass fiber reinforced composites and were subjected to dynamical mechanical analysis to determine the dynam…

Mechanical Behavior of CompositesNatural Fiber Reinforced CompositesBamboo properties and applications

Electronic Fingerprints of DNA Bases on Graphene

Towfiq Ahmed、Svetlana Kilina、Tanmoy Das 等 6 位作者2012-01-18Nano Letters

We calculate the electronic local density of states (LDOS) of DNA nucleotide bases (A,C,G,T), deposited on graphene. We observe significant base-dependent features in the LDOS in an energy range within a few electronvolts of the Fermi level. These features can serve as electronic fingerprints for the identification of…

Graphene research and applicationsAdvanced biosensing and bioanalysis techniquesMolecular Junctions and Nanostructures

Organic–Inorganic Hybrids Based on Monovacant Keggin-type Silicotungstates and 3d-4f Heterometals

Shaowei Zhang、Junwei Zhao、Pengtao Ma 等 6 位作者2012-01-18Crystal Growth & Design

A series of organic–inorganic hybrid lacunary Keggin silicotungstate 3d-4f heterometallic derivatives, {[Cu (en) 2 ] 1.5 Ln[(α-SiW 11 O 39 ) 2 ]} 2 20– [Ln = Gd III for 1, Tb III for 2, Dy III for 3, Er III for 4, Lu III for 5 ], {[Cu(en) 2 ] 1.5 Ln[(α-SiW 11 O 39 )]} 2– [Ln = La III for 6, Ce III, for 7 ] and {[Cu(en…

Metal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and ApplicationsAdvanced Nanomaterials in Catalysis

Robust Large Dimension Terahertz Cloaking

Dachuan Liang、Jianqiang Gu、Jiaguang Han 等 6 位作者2012-01-18Advanced Materials

A large scale homogenous invisibility cloak functioning at terahertz frequencies is reported. The terahertz invisibility device features a large concealed volume, low loss, and broad bandwidth. In particular, it is capable of hiding objects with a dimension nearly an order of magnitude larger than that of its lithogra…

Metamaterials and Metasurfaces ApplicationsPlasmonic and Surface Plasmon ResearchTerahertz technology and applications

In Vitro Targeting of Avidin-Expressing Glioma Cells with Biotinylated Persistent Luminescence Nanoparticles

Thomas Maldiney、Minna U. Kaikkonen、Johanne Séguin 等 9 位作者2012-01-18Bioconjugate Chemistry

Far red emitting persistent luminescence nanoparticles (PLNP) were synthesized and functionalized with biotin to study their targeting ability toward biotin-binding proteins. First, the interaction of biotin-decorated PLNP with streptavidin, immobilized on a plate, was shown to be highly dependent on the presence of a…

Quantum Dots Synthesis And PropertiesLuminescence and Fluorescent MaterialsBiotin and Related Studies

Synthesis of Carbon Nanomaterials through Up-Cycling Agricultural and Municipal Solid Wastes

Chuanwei Zhuo、Joner Oliveira Alves、Jorge Alberto Soares Tenório 等 4 位作者2012-01-18Industrial & Engineering Chemistry Research

This work addresses the synthesis of carbon nanomaterials (CNMs) by up-cycling common solid wastes. These feedstocks could supersede the use of costly and often toxic or highly flammable chemicals, such as hydrocarbon gases, carbon monoxide, and hydrogen, which are commonly used as feedstocks in current nanomanufactur…

Carbon Nanotubes in CompositesNanoparticles: synthesis and applicationsGraphene research and applications

High-Efficiency Removal of NOx Using a Combined Adsorption-Discharge Plasma Catalytic Process

Qinqin Yu、Hui Wang、Tong Liu 等 6 位作者2012-01-18Environmental Science & Technology

A combined adsorption-discharge plasma catalytic process was used for the removal of NO(x) using zeolites as catalysts without external heating. It was found that the types of plasma carrier gases exert great effect on the conversion of adsorbed NO(x). The conversion of adsorbed NO(x) is much lower in N(2) plasma than…

Catalytic Processes in Materials SciencePlasma Applications and DiagnosticsIndustrial Gas Emission Control

Squeezing lone pairs: TheA17 toA7 pressure-induced phase transition in black phosphorus

Salah Eddine Boulfelfel、Gotthard Seifert、Yuri Grin 等 4 位作者2012-01-18Physical Review B

We show how the ground state of phosphorus, black phosphorus, and the $\ensuremath{\alpha}$-As type modification, next-lying on increasing pressure, are tightly connected over a Peierls intermediate. We unravel an intrinsic reactivity given by lone pairs, which are conserved during phase transition and are not suppres…

2D Materials and ApplicationsHigh-pressure geophysics and materialsIron-based superconductors research

Effects of Annealing Solvents on the Morphology of Block Copolymer-Based Supramolecular Thin Films

Wei-Han Huang、Po-Yu Chen、Shih‐Huang Tung2012-01-18Macromolecules

We report a strategy that combines supramolecular assembly and solvent annealing to manipulate the microdomain orientation in block copolymer thin films. In supramolecular thin films formed by polystyrene- b -poly(4-vinylpyridine) (PS- b -P4VP) with 3-pentadecylphenol (PDP) hydrogen-bonded onto P4VP blocks, where PS b…

Advanced Polymer Synthesis and CharacterizationRheology and Fluid Dynamics StudiesBlock Copolymer Self-Assembly

Multifunctional Coating Films by Layer-by-Layer Deposition of Cellulose and Chitin Nanofibrils

Zi-Dong Qi、Tsuguyuki Saito、Yimin Fan 等 4 位作者2012-01-18Biomacromolecules

An environmentally benign surface modification process for plastic films was demonstrated by fabricating composite coatings through layer-by-layer assembly with green solid materials: aqueous dispersions of two kinds of crystalline polysaccharide nanofibrils. Anionic cellulose nanofibrils were obtained by the TEMPO (2…

Surface Modification and SuperhydrophobicityAdvanced Cellulose Research StudiesElectrospun Nanofibers in Biomedical Applications

Small surfactant-like peptides can drive soluble proteins into active aggregates

Bihong Zhou、Lei Xing、Wei Wu 等 5 位作者2012-01-18Microbial Cell Factories

BACKGROUND: Inactive protein inclusion bodies occur commonly in Escherichia coli (E. coli) cells expressing heterologous proteins. Previously several independent groups have found that active protein aggregates or pseudo inclusion bodies can be induced by a fusion partner such as a cellulose binding domain from Clostr…

Alzheimer's disease research and treatmentsProtein purification and stabilitySupramolecular Self-Assembly in Materials

Nanoporous Pt@AuxCu100–x by Hydrogen Evolution Assisted Electrodeposition of AuxCu100–x and Galvanic Replacement of Cu with Pt: Electrocatalytic Properties

Serhiy Cherevko、Nadiia Kulyk、Chan‐Hwa Chung2012-01-18Langmuir

Electrodeposition of high-surface-area nanoporous Au-Cu foams under conditions of hydrogen codeposition is studied. The honeycomb-like Au(x)Cu(100-x) foams with 0 ≤ x ≤ 100 are electrodeposited by controlling the amount of corresponding ions in the solution. The amount of metal ions in deposited films follows that in…

Electrocatalysts for Energy ConversionSupercapacitor Materials and FabricationNanoporous metals and alloys