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A Density Functional Study of the 13C NMR Chemical Shifts in Functionalized Single-Walled Carbon Nanotubes

Eva Zurek、Chris J. Pickard、Jochen Autschbach2007-03-20Journal of the American Chemical Society

The 13C NMR chemical shifts for functionalized (7,0), (8,0), (9,0), and (10,0) single-walled carbon nanotubes (SWNTs) have been studied computationally using gauge-including projector-augmented plane-wave (GIPAW) density functional theory (DFT). The functional groups NH, NCH3, NCH2OH, and CH2NHCH2 have been considered…

Carbon Nanotubes in CompositesGraphene research and applicationsAdvanced NMR Techniques and Applications

Preparation through the Vapor Transport and Growth Mechanism of the First-Order Hierarchical Structures of MoO3 Belts on Sillimanite Fibers

P. Badica2007-03-20Crystal Growth & Design

First-order branched tree structures of MoO 3 belts on sillimanite fibers (refractor wool) were grown by a vapor transport method. At longer growth times, MoO 3 micro-belts on micro-belts form a flower-like structure. Most belts are of α-MoO 3, and they grow in the two opposite directions along the c -axis. They show…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsTransition Metal Oxide Nanomaterials

Iron(III) Complex of a Crown Ether−Porphyrin Conjugate and Reversible Binding of Superoxide to Its Iron(II) Form

Katharina L. Dürr、Brendan P. Macpherson、Ralf Warratz 等 8 位作者2007-03-20Journal of the American Chemical Society

The synthesis and characterization of the Fe(III) complex of a novel crown ether-porphyrin conjugate, 52-N-(4-aza-18-crown-6)methyl-54,104,154,204-tetra-tert-butyl-56-methyl-5,10,15,20-tetraphenylporphyrin (H2Porph), as well as the corresponding hydroxo, dimeric, Fe(II), and peroxo species are reported. The crystal st…

Porphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation MechanismsHemoglobin structure and function

Relationship between specific surface area and pore dimension of high porosity nanoporous silicon – Model and experiment

Monuko du Plessis2007-03-20physica status solidi (a)

Abstract The structural properties of high porosity nanoporous silicon were researched with the manufacture of integrated nano‐explosive devices in mind. A three‐dimensional nanoporous layer structural model, consisting of cylindrical crystallites, is proposed. Model parameters are derived from gravimetric techniques…

Semiconductor materials and devicesSilicon Nanostructures and PhotoluminescenceNanowire Synthesis and Applications

K2[Ga(B5O10)]·4H2O: The First Chiral Zeolite-like Galloborate with Large Odd 11-Ring Channels

Zhi‐Hong Liu、Ping Yang、Ping Li2007-03-20Inorganic Chemistry

The first chiral zeolite-like galloborate, K2[Ga(B5O10)].4H2O, has been synthesized by a mild solvothermal method and characterized by Fourier transform IR, energy-dispersive spectroscopy, thermogravimetric/differential thermal analysis, and single-crystal X-ray diffraction. This compound crystallizes in the orthorhom…

Crystal Structures and PropertiesChemical Synthesis and CharacterizationX-ray Diffraction in Crystallography

Solubilities of Benzoic Acid and Phthalic Acid in Acetic Acid + Water Solvent Mixtures

Qinbo Wang、Linxi Hou、Youwei Cheng 等 4 位作者2007-03-20Journal of Chemical & Engineering Data

The solubilities of benzoic acid and phthalic acid in acetic acid + water solvent mixtures are determined by a static method. The experimental temperature ranges from (298.3 to 367.9) K, and the mass fraction of acetic acid in the solvent mixtures ranges from 0.8 to 1.0. The experimental results show that, within the…

Crystallization and Solubility Studies

Spin Exchange Effects on the Physicochemical Properties of Tetraoxolene-Bridged Bimetallic Complexes

Dong Guo、James K. McCusker2007-03-20Inorganic Chemistry

The synthesis, physical, and spectroscopic properties of a series of metal complexes bridged by the redox-active chloranilate ligand are described. Compounds containing the (CAcat,cat)4- ligand, where (CAcat,cat)4- represents the fully reduced aromatic form of chloranilate, have been prepared by two different routes f…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesElectron Spin Resonance Studies

Hydrothermal Synthesis of Single Crystalline (K,Na)NbO3 Powders

Ce Sun、Xianran Xing、Jun Chen 等 8 位作者2007-03-20European Journal of Inorganic Chemistry

Abstract (K 1– x Na x )NbO 3 ( x = 0.01, 0.24, 0.89, 0.91, 0.99) single crystalline powders with perovskite structure were synthesized by a hydrothermal method with Nb 2 O 5 in a mixed solution of KOH and NaOH at 220 °C for 24 h. XRD investigations showed that the structure of the synthesized (K 1– x Na x )NbO 3 ceram…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsMicrowave Dielectric Ceramics Synthesis

Surface Water-Assisted Preferential CO Oxidation on Pt/CeO2 Catalyst

Olga Pozdnyakova-Tellinger、Detre Teschner、Jutta Kröhnert 等 7 位作者2007-03-20The Journal of Physical Chemistry C

The production of clean hydrogen is a key requirement for a future hydrogen economy, in general, and, specifically, for the application of proton exchange membrane fuel cells (PEMFC). Here, we focus on one of the essential purification methods, the so-called “PROX” reaction, the preferential oxidation of traces of CO…

Advanced Photocatalysis TechniquesCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions

Measurement of the surface potential decay of corona-charged polymer films using the pulsed electroacoustic method

G Chen、Zhiqiang Xu、L W Zhang2007-03-20Measurement Science and Technology

In this paper, the pulsed electroacoustic (PEA) technique that allows the determination of space charge in a dielectric material has been used to monitor the electrical potential decay of corona-charged polyethylene films of different thicknesses. To prevent possible disturbance of the surface charge during the PEA me…

High voltage insulation and dielectric phenomenaPower Transformer Diagnostics and InsulationElectrical Fault Detection and Protection

Post‐translational cleavage of recombinantly expressed nitrilase from Rhodococcus rhodochrous J1 yields a stable, active helical form

R.N. Thuku、Brandon Weber、Arvind Varsani 等 4 位作者2007-03-20FEBS Journal

Nitrilases convert nitriles to the corresponding carboxylic acids and ammonia. The nitrilase from Rhodococcus rhodochrous J1 is known to be inactive as a dimer but to become active on oligomerization. The recombinant enzyme undergoes post-translational cleavage at approximately residue 327, resulting in the formation…

Enzyme Structure and FunctionEnzyme Production and CharacterizationPeptidase Inhibition and Analysis

From Chain to Network: Design and Analysis of Novel Organic−Inorganic Assemblies from Organically Functionalized Zinc-Substituted Polyoxovanadates and Zinc Organoamine Subunits

Yanfei Qi、Yangguang Li、Chao Qin 等 8 位作者2007-03-20Inorganic Chemistry

A series of novel organic-inorganic assemblies, [Zn(Meen)2]2[(4,4'-bipy)Zn2As8V12O40(H2O)] (1), [Zn(en)2(H2O)][Zn(en)2(4,4'-bipy)Zn2As8V12O40(H2O)].3H2O (2), [[Zn(en)3]2[Zn2As8V12O40(H2O)]].4H2O.0.25bipy (3) and [Zn2(en)5][[Zn(en)2][(bpe)HZn2As8V12O40(H2O)]2].7H2O (4) [en = ethylenediamine, Meen = 1,2-diaminopropane,…

Metal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and ApplicationsChemical Synthesis and Reactions

Artificial Nacre by Alternating Preparation of Layer-by-Layer Polymer Films and CaCO3Strata

Hao Wei、Ning Ma、Feng Shi 等 5 位作者2007-03-20Chemistry of Materials

In this paper, we described the fabrication of hybrid nanocomposite by bottom-up alternating preparation of organic and inorganic layers, toward the mimicking biomineralization process of natural nacre. The organic layers are layer-by-layer (LBL) polymer thin films of diazo-resins (DAR) and poly(acrylic acid) (PAA), w…

Bone Tissue Engineering MaterialsCalcium Carbonate Crystallization and InhibitionCephalopods and Marine Biology

Impurities in a Biased Graphene Bilayer

Johan Nilsson、A. H. Castro Neto2007-03-20Physical Review Letters

We study the problem of impurities and midgap states in a biased graphene bilayer. We show that the properties of the bound states, such as localization lengths and binding energies, can be controlled externally by an electric field effect. Moreover, the band gap is renormalized and impurity bands are created at finit…

Graphene research and applicationsQuantum and electron transport phenomenaMolecular Junctions and Nanostructures

Luminescence Functionalization of SBA-15 by YVO4:Eu3+ as a Novel Drug Delivery System

Piaoping Yang、Shanshan Huang、Deyan Kong 等 5 位作者2007-03-20Inorganic Chemistry

Luminescence functionalization of the ordered mesoporous SBA-15 silica was realized by depositing a YVO4:Eu3+ phosphor layer on its surface via the Pechini sol-gel process, resulting in the formation of the YVO4:Eu3+@SBA-15 composite material. This material, which combines the mesoporous structure of SBA-15 and the st…

Luminescence Properties of Advanced MaterialsMesoporous Materials and CatalysisLuminescence and Fluorescent Materials

Coupling mechanisms for split ring resonators: Theory and experiment

Frank Hesmer、E. Tatartschuk、O. Zhuromskyy 等 10 位作者2007-03-20physica status solidi (b)

Abstract We study experimentally and theoretically coupling mechanisms between metamaterial elements of the split ring resonator (SRR) type. We show that, depending on the orientation of the elements relative to each other, the coupling may be either of magnetic or electric type or a combination of both. Experimental…

Metamaterials and Metasurfaces ApplicationsMicrowave Engineering and WaveguidesAdvanced Antenna and Metasurface Technologies

d-Mannose-Modified Iron Oxide Nanoparticles for Stem Cell Labeling

Daniel Horák、Michal Babič、Pavla Jendelová 等 9 位作者2007-03-20Bioconjugate Chemistry

New surface-modified iron oxide nanoparticles were developed by precipitation of Fe(II) and Fe(III) salts with ammonium hydroxide according to two methods. In the first method, precipitation was done in the presence of D-mannose solution (in situ coating); the second method involved oxidation of precipitated magnetite…

Nanoparticle-Based Drug DeliveryIron Metabolism and DisordersBarrier Structure and Function Studies

Synthesis of Porous Single Crystals of Metal Oxides via a Solid−Liquid Route

Yue Yue、Zhou2007-03-20Chemistry of Materials

Porous single crystals of Co 3 O 4, NiO, CeO 2, and Cr 2 O 3 were produced using mesoporous silicas, SBA-15 and KIT-6, as hard templates and a new convenient approach, the solid−liquid method, was developed. Characterization of the materials was performed mainly by using X-ray powder diffraction and high-resolution tr…

Catalytic Processes in Materials ScienceZeolite Catalysis and SynthesisMesoporous Materials and Catalysis

Length‐Dependent Uptake of DNA‐Wrapped Single‐Walled Carbon Nanotubes

Matthew L. Becker、Jeffrey Fagan、Nathan D. Gallant 等 9 位作者2007-03-20Advanced Materials

A length threshold for cell uptake of DNA-wrapped single-walled carbon nanotubes (SWNTs) by human lung fibroblasts (IMR90) is identified. Competitive uptake experiments with well-defined and characterized length fractions show that SWNTs above the length threshold are excluded from the cell, whereas SWNTs labeled with…

Carbon Nanotubes in CompositesNanoparticles: synthesis and applicationsNanopore and Nanochannel Transport Studies

Frequency Response of the Mechanochemically Synthesized AgI-Ag2O-B2O3 Superionic Glasses

Ankur Verma、K Shahi2007-03-20arXiv

The synthesis of xAgI(1-x)[Ag2O.B2O3] amorphous superionic conductors is done via mechanochemical synthesis route (for x = 0.5 and 0.7). Ionic conductivities of 3 mOhm-1cm-1 for x = 0.5 sample and 5mOhm-1cm-1 for x = 0.7 sample at room temperature, are observed, which are higher than those of the melt quenched glassy…

Materials Science