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Correlation of the Electronic and Geometric Structures in Mononuclear Copper(II) Superoxide Complexes

Jake W. Ginsbach、Ryan L. Peterson、Ryan E. Cowley 等 5 位作者2013-10-28Inorganic Chemistry

The geometry of mononuclear copper(II) superoxide complexes has been shown to determine their ground state where side-on bonding leads to a singlet ground state and end-on complexes have triplet ground states. In an apparent contrast to this trend, the recently synthesized (HIPT3tren)Cu(II)O2(•-) (1) was proposed to h…

Metal complexes synthesis and propertiesMagnetism in coordination complexesMetal-Catalyzed Oxygenation Mechanisms

Design of a New Optical Material with Broad Spectrum Linear and Two-Photon Absorption and Solvatochromism

William V. Moreshead、Olga V. Przhonska、Mykhailo V. Bondar 等 8 位作者2013-10-28The Journal of Physical Chemistry C

A fluorene-bridged squaraine dimer (SD-FLU-SD) was designed with the purpose of combining various chromophores in one molecule and enhancing its two-photon absorption properties using intra- and interchromophore transitions. Linear and nonlinear absorption properties of SD-FLU-SD were investigated with the goals of un…

Porphyrin and Phthalocyanine ChemistryNonlinear Optical Materials ResearchNonlinear Optical Materials Studies

Early transformation and transfer processes in a Technosol developing on iron industry deposits

Hermine Huot、Marie‐Odile Simonnot、Françoise Watteau 等 7 位作者2013-10-28European Journal of Soil Science

Summary Large surface areas covered with man‐made materials are subject to pedogenetic evolution. However, pedogenetic processes in the resulting Technosols are seldom fully assessed. This work was conducted to identify and characterize the processes occurring on deposits of industrial technogenic materials. A former…

Heavy metals in environmentSoil and Unsaturated FlowClay minerals and soil interactions

A novel fluffy hydroxylapatite fiber scaffold with deep interconnected pores designed for three-dimensional cell culture

Lin Jin、Zhang‐Qi Feng、Ting Wang 等 7 位作者2013-10-28Journal of Materials Chemistry B

Functional scaffolds that could mimic cells' natural growth state in vitro are crucial for meeting the requirements of complex biological systems. However, the compact macrostructure and poor cell survival macro-environment of biomaterials are still two major challenges limiting their practical applications in bone ti…

Bone Tissue Engineering Materialsbiodegradable polymer synthesis and propertiesElectrospun Nanofibers in Biomedical Applications

Analytical solution for the diffraction of an electromagnetic wave by a graphene grating

T M Slipchenko、M L Nesterov、L Martin-Moreno 等 4 位作者2013-10-28Journal of Optics

An analytical method for diffraction of a plane electromagnetic wave at a periodically modulated graphene sheet is presented. Both interface corrugation and a periodic change in the optical conductivity are considered. Explicit expressions for reflection, transmission, absorption and transformation coefficients in arb…

Graphene research and applicationsMetamaterials and Metasurfaces ApplicationsPlasmonic and Surface Plasmon Research

THz wave scattering by a graphene strip and a disk in the free space: integral equation analysis and surface plasmon resonances

Mikhail V Balaban、Olga V. Shapoval、Alexander I. Nosich2013-10-28Journal of Optics

The excitation of the surface plasmon resonances on a graphene strip and a disk in free space is studied numerically as a 2D and 3D electromagnetic wave-scattering problem, respectively. The associated mathematical model is based on the Maxwell equations with resistive boundary conditions on the surface of a zero-thic…

Graphene research and applicationsMetamaterials and Metasurfaces ApplicationsPlasmonic and Surface Plasmon Research

Differences in degradation behavior of two non‐cross‐linked collagen barrier membranes: an in vitro and in vivo study

Ahmet Bozkurt、Christian Apel、Bernd Sellhaus 等 7 位作者2013-10-28Clinical Oral Implants Research

OBJECTIVES: Collagen barrier membranes are used in guided bone regeneration/guided tissue regeneration because of their excellent bio- and cytocompatibility. However, they are considered to have limitations in clinical outcome because of rapid and unpredictable degradation profiles. The aim of this study was to invest…

Bone Tissue Engineering MaterialsPeriodontal Regeneration and TreatmentsCollagen: Extraction and Characterization

Stability and bandgaps of layered perovskites for one- and two-photon water splitting

Ivano E. Castelli、J. M. Garcı́a-Lastra、Falco Hüser 等 5 位作者2013-10-28New Journal of Physics

Direct production of hydrogen from water and sunlight requires stable and abundantly available semiconductors with well positioned band edges relative to the water red-ox potentials. We have used density functional theory (DFT) calculations to investigate 300 oxides and oxynitrides in the Ruddlesden–Popper phase of th…

Advanced Photocatalysis TechniquesPerovskite Materials and Applications2D Materials and Applications

The effect of ZnO nanoparticles on the mechanical, tribological and antibacterial properties of ultra-high molecular weight polyethylene

Boon Peng Chang、Hazizan Md Akil、Ramdziah Md. Nasir 等 5 位作者2013-10-28Journal of Reinforced Plastics and Composites

In this study, the response of different filler loadings (5–20 wt%) of zinc oxide nanoparticles reinforced ultra-high molecular weight polyethylene on the mechanical, tribological and antibacterial performances were attempted. The compression, tensile and micro-hardness properties of the nano-zinc oxide/ultra-high mol…

Polymer Nanocomposites and PropertiesOrthopaedic implants and arthroplastyTribology and Wear Analysis

Symmetric GroEL:GroES 2 complexes are the protein-folding functional form of the chaperonin nanomachine

Dong Yang、Xiang Ye、George H. Lorimer2013-10-28Proceedings of the National Academy of Sciences

Using calibrated FRET, we show that the simultaneous occupancy of both rings of GroEL by ATP and GroES occurs, leading to the rapid formation of symmetric GroEL:GroES2 "football" particles regardless of the presence or absence of substrate protein (SP). In the absence of SP, these symmetric particles revert to asymmet…

Protein Structure and DynamicsHeat shock proteins researchEnzyme Structure and Function

Substrate protein switches GroE chaperonins from asymmetric to symmetric cycling by catalyzing nucleotide exchange

Xiang Ye、George H. Lorimer2013-10-28Proceedings of the National Academy of Sciences

The complex kinetics of Pi and ADP release by the chaperonin GroEL/GroES is influenced by the presence of unfolded substrate protein (SP). Without SP, the kinetics of Pi release are described by four phases: a "lag," a "burst" of ATP hydrolysis by the nascent cis ring, a "delay" caused by ADP release from the nascent…

Protein Structure and DynamicsHeat shock proteins researchEnzyme Structure and Function

Dipolar Poisson-Boltzmann approach to ionic solutions: A mean field and loop expansion analysis

Amir Levy、David Andelman、Henri Orland2013-10-28The Journal of Chemical Physics

We study the variation of the dielectric response of ionic aqueous solutions as function of their ionic strength. The effect of salt on the dielectric constant appears through the coupling between ions and dipolar water molecules. On a mean-field level, we account for any internal charge distribution of particles. The…

Material Dynamics and PropertiesSpectroscopy and Quantum Chemical StudiesElectrostatics and Colloid Interactions

Comparative Studies of the Binding of Six Phthalate Plasticizers to Pepsin by Multispectroscopic Approach and Molecular Modeling

Yanqing Wang、Hongmei Zhang2013-10-28Journal of Agricultural and Food Chemistry

To explore the binding mechanism of phthalate plasticizers with digestive proteases, their effects on conformation and activity of pepsin by multispectroscopic approach and molecular modeling were investigated. Fluorescence spectra combined with UV-vis and circular dichroism (CD) spectra measurements indicated that th…

Effects and risks of endocrine disrupting chemicalsMicroplastics and Plastic PollutionPolymer Science and PVC

Pattern formation on Ge by low energy ion beam erosion

Marc Teichmann、Jan Lorbeer、B. Ziberi 等 5 位作者2013-10-28New Journal of Physics

Modification of nanoscale surface topography is inherent to low-energy ion beam erosion processes and is one of the most important fields of nanotechnology. In this report a comprehensive study of surface smoothing and self-organized pattern formation on Ge(100) by using different noble gases ion beam erosion is prese…

Diamond and Carbon-based Materials ResearchIon-surface interactions and analysisIntegrated Circuits and Semiconductor Failure Analysis

Electrolytic synthesis of aqueous aluminum nanoclusters and in situ characterization by femtosecond Raman spectroscopy and computations

Wei Wang、Weimin Liu、I‐Ya Chang 等 9 位作者2013-10-28Proceedings of the National Academy of Sciences

The selective synthesis and in situ characterization of aqueous Al-containing clusters is a long-standing challenge. We report a newly developed integrated platform that combines (i) a selective, atom-economical, step-economical, scalable synthesis of Al-containing nanoclusters in water via precision electrolysis with…

Quantum Dots Synthesis And PropertiesCopper-based nanomaterials and applicationsIon-surface interactions and analysis

Hydration Reactions and Mechanical Strength Developments of Iron-Rich Sulfobelite Eco-cements

Gema Álvarez-Pinazo、Isabel Santacruz、Laura León‐Reina 等 5 位作者2013-10-28Industrial & Engineering Chemistry Research

Belite calcium sulfoaluminate (BCSA) cements are low-CO 2 building materials. However, their hydration behavior and its effect on mechanical properties have still to be clarified. Here, we report a full multitechnique study of the hydration behavior up to 120 days of nonactivated and activated BCSA laboratory-prepared…

Concrete and Cement Materials ResearchBuilding materials and conservationMagnesium Oxide Properties and Applications

Translational and Rotational Diffusion in Water in the Gigapascal Range

L. E. Bove、Stefan Klotz、Th. Strässle 等 6 位作者2013-10-28Physical Review Letters

First measurements of the self-dynamics of liquid water in the GPa range are reported. The GPa range has here become accessible through a new setup for the Paris-Edinburgh press specially conceived for quasielastic neutron scattering studies. A direct measurement of both the translational and rotational diffusion coef…

High-pressure geophysics and materialsMaterial Dynamics and PropertiesQuantum, superfluid, helium dynamics

The role of non‐crystalline Fe in the increase of SOC after long‐term organic manure application to the red soil of s outhern C hina

JIN-GUO ZHANG、Lin Zhang、P. Wang 等 8 位作者2013-10-28European Journal of Soil Science

Summary Because of the important role of soil organic carbon ( SOC ) in nutrient cycling and global climate changes, there has been an interest in understanding how different fertilizer practices affect the SOC preservation and promotion. The results from this study showed that long‐term application of manure (21 year…

Soil Carbon and Nitrogen DynamicsSoil and Unsaturated FlowClay minerals and soil interactions

Stepwise Protonation and Electron-Transfer Reduction of a Primary Copper–Dioxygen Adduct

Ryan L. Peterson、Jake W. Ginsbach、Ryan E. Cowley 等 12 位作者2013-10-28Journal of the American Chemical Society

The protonation–reduction of a dioxygen adduct with [LCu(I)][B(C6F5)4], cupric superoxo complex [LCu(II)(O2(•–))]+ (1) (L = TMG3tren (1,1,1-tris[2-[N(2)-(1,1,3,3-tetramethylguanidino)]ethyl]amine)) has been investigated. Trifluoroacetic acid (HOAcF) reversibly associates with the superoxo ligand in ([LCu(II)(O2(•–))]+…

Lanthanide and Transition Metal ComplexesMetal-Catalyzed Oxygenation MechanismsCO2 Reduction Techniques and Catalysts

Effect of Local and Global Structural Order on the Performance of Perylene Diimide Excimeric Solar Cells

Tengling Ye、Ranbir Singh、Hans‐Jürgen Butt 等 5 位作者2013-10-28ACS Applied Materials & Interfaces

Herein, we present a detailed study of the structure-function relationship in the organic photovoltaic (OPV) blend film composed of N,N'-bis(1-ethylpropyl)-perylene-3,4,9,10-tetracarboxylic diimide (EP-PDI) and the low energy gap copolymer of poly[4,8-bis-substituted-benzo[1,2-b:4,5-b']dithiophene-2,6-diyl-alt-4-subst…

Organic Electronics and PhotovoltaicsPerovskite Materials and ApplicationsConducting polymers and applications