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Interchain Impacts on Electronic Structures of Heterocyclic Oligomers and Polymers Containing Group 14, 15, and 16 Heteroatoms: Quantum Chemical Calculations in Combination with Molecular Dynamics Simulations

Guiling Zhang、Jing Ma、Jin Wen2007-09-19The Journal of Physical Chemistry B

The packing structures and packing effects on excitation energies of oligomers of polyfuran (PFu), polypyrrole (PPy), polycyclopentidene (PCp), polythiophene (PTh), polyphosphole (PPh), and polysilole (PSi) are comparatively studied by employing molecular dynamics (MD) simulations and time-dependent density functional…

Organic Electronics and PhotovoltaicsConducting polymers and applicationsSynthesis and Properties of Aromatic Compounds

Photoluminescent Paper Based on Poly(fluorene‐co‐fluorenone) Particles Adsorption on Modified Cellulose Fibers

Pierre Sarrazin、Lorenzo Valecce、Davide Beneventi 等 6 位作者2007-09-19Advanced Materials

Cationic polyfluorene colloids are prepared and adsorbed on cellulose to obtain fibers and paper sheets with high photoluminescence (see figure). The oxidative pretreatment of cellulose allows the tailoring of the fiber uptake capacity of polyfluorene colloids and the final photoluminescence intensity. Paper sheet str…

Advanced Sensor and Energy Harvesting MaterialsAdvanced Cellulose Research StudiesConducting polymers and applications

Categorisation of soils based on potassium reserves and production systems: implications in K management

Ch. Srinivasarao、K. P. R. Vittal、K. N. Tiwari 等 5 位作者2007-09-19Soil Research

Crop fertilisation with potassium in rainfed agriculture in India is not practised, merely on the assumption that Indian soils are rich in potassium and crops do not need external K supply. However, under continuous cropping in rainfed regions, huge crop K removals are reported, up to 150–200 kg/ha annually, depending…

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

The Aerosol OT + n-Butanol + n-Heptane + Water System: Phase Behavior, Structure Characterization, and Application to Pt70Fe30 Nanoparticle Synthesis

Arthur R. Malheiro、Laudemir C. Varanda、Joelma Perez 等 4 位作者2007-09-19Langmuir

A phase diagram of the pseudo-ternary Aerosol OT (AOT)+n-butanol/n-heptane/water system, at a mass ratio of AOT/n-butanol=2, is presented. Conductivity measurements showed that within the vast one-phase microemulsion region observed, the structural transition from water-in-oil to oil-in-water microemulsion occurs cont…

Gold and Silver Nanoparticles Synthesis and ApplicationsCatalytic Processes in Materials ScienceCoagulation and Flocculation Studies

Synthesis and High Thermal Stability of Double-Walled Carbon Nanotubes Using Nickel Formate Dihydrate as Catalyst Precursor

Qingfeng Liu、Wencai Ren、Feng Li 等 4 位作者2007-09-19The Journal of Physical Chemistry C

Nickel formate dihydrate is demonstrated to be an effective catalyst precursor for selectively synthesizing double-walled carbon nanotubes (DWNTs) with high thermal stability by using a hydrogen arc discharge technique. High-resolution transmission electron microscopy (HRTEM) observations show that the as-synthesized…

Carbon Nanotubes in CompositesGraphene research and applicationsFullerene Chemistry and Applications

Solid Brønsted Acid Catalysis in the Gas-Phase Esterification of Acetic Acid

Kaewta Suwannakarn、Edgar Lotero、James G. Goodwin2007-09-19Industrial & Engineering Chemistry Research

Solid acid catalysts are attractive replacements for liquid mineral acids for esterification reactions, where ester products are important for end products that are as diverse as perfumes and biofuels. Although the mechanism of homogeneous esterification has long been known, the mechanistic pathways for esterification…

Process Optimization and IntegrationCatalysis and Hydrodesulfurization StudiesThermal and Kinetic Analysis

Amylose Selectively Includes One from a Mixture of Two Resemblant Polyethers in Vine-Twining Polymerization

Yoshirō Kaneko、Koutarou Beppu、Jun‐ichi Kadokawa2007-09-19Biomacromolecules

In this paper, we describe that amylose almost selectively includes poly(tetrahydrofuran) (PTHF) from a mixture of poly(oxetane) (POXT) and PTHF having resemblant chemical structures and molecular weights in vine-twining polymerization. This was performed by the phosphorylase-catalyzed enzymatic polymerization of alph…

biodegradable polymer synthesis and propertiesLignin and Wood ChemistryPickering emulsions and particle stabilization

Fungus‐Based Synthesis of Chemically Difficult‐To‐Synthesize Multifunctional Nanoparticles of CuAlO2

Absar Ahmad、Tushar C. Jagadale、Vivek Dhas 等 8 位作者2007-09-19Advanced Materials

Fungal nanosynthesis of ternary CuAlO2 phase is achieved at 50 °C. This phase is chemically difficult to synthesize at low temperatures because of the incompatible oxidation chemistry of Cu and Al. The synthesized protein-capped water-dispersible nanoparticles show blue luminescence and radio-frequency absorption (see…

ZnO doping and propertiesQuantum Dots Synthesis And PropertiesCopper-based nanomaterials and applications

In Situ Infrared Ellipsometric Study of Stimuli-Responsive Mixed Polyelectrolyte Brushes

Y. Mikhaylova、Leonid Ionov、Jörg Rappich 等 9 位作者2007-09-19Analytical Chemistry

The switching behavior of stimuli-responsive mixed polymer brushes (d = 11 nm) was monitored for the first time in liquid phase in situ by infrared spectroscopic ellipsometry (IRSE). IRSE is presented as a new, sensitive in situ tool for online analysis of chemical changes in a thin complex film at the solid/liquid in…

Surfactants and Colloidal SystemsPolymer Surface Interaction StudiesAnalytical Chemistry and Sensors

Studies of Material Interaction After Long‐Term Stack Operation

Norbert H. Menzler、Peter Batfalsky、L. Blum 等 10 位作者2007-09-19Fuel Cells

Abstract Forschungszentrum Jülich is routinely operating solid oxide fuel cells (SOFCs) in stacks of planar design. Anode‐supported cells are used in combination with ferritic steel interconnects as standard components. The stacks are typically sealed with glass‐ceramics. In order to examine the long‐term interaction…

Advancements in Solid Oxide Fuel CellsCatalysis and Oxidation ReactionsElectronic and Structural Properties of Oxides

Structure-factor extrapolation using the scalar approximation: theory, applications and limitations

Ulrich K. Genick2007-09-19Acta Crystallographica Section D Biological Crystallography

For many experiments in macromolecular crystallography, the overall structure of the protein/nucleic acid is already known and the aim of the experiment is to determine the effect a chemical or physical perturbation/activation has on the structure of the molecule. In a typical experiment, an experimenter will collect…

Protein Structure and DynamicsDNA and Nucleic Acid ChemistryEnzyme Structure and Function

AFM Phase Imaging of Electropolymerized Polybithiophene Films at Different Stages of Their Growth

Kevin D. O'Nei、О. А. Семенихин2007-09-19The Journal of Physical Chemistry C

The degree of crystallinity in electronically conducting polymers can affect a variety of important properties such as the work function, conductivity, and charge mobility. In our previous work (O'Neil, K. D.; Shaw, B.; Semenikhin, O. A. J. Phys. Chem. B 2007, 111, 9253), we studied the distribution of the local condu…

Conducting polymers and applicationsElectrochemical Analysis and ApplicationsAnalytical Chemistry and Sensors

Impact of Swapping Ethyl for Phenyl Groups on Diphosphine-Protected Undecagold

Justin S. Golightly、Lin Gao、A. W. Castleman 等 7 位作者2007-09-19The Journal of Physical Chemistry C

High Resolution Image Download MS PowerPoint Slide 1,3-Bis(diethylphosphino)propane (depp) protected gold clusters are synthesized and studied via electrospray ionization mass spectrometry. An undecagold cluster, [Au 11 (depp) 4 Cl 2 ] +, is observed under soft ionization conditions and is found to persist in solution…

Catalytic Processes in Materials ScienceNanocluster Synthesis and ApplicationsPharmacological Effects and Toxicity Studies

Structure determination of the O -methyltransferase NovP using the `free lunch algorithm' as implemented in SHELXE

Isabel Usón、Clare E. M. Stevenson、David M. Lawson 等 4 位作者2007-09-19Acta Crystallographica Section D Biological Crystallography

NovP is an S-adenosyl-L-methionine-dependent O-methyltransferase from Streptomyces spheroides (subunit MW = 29 967 Da). Recombinant N-terminally His-tagged NovP crystallizes in space group P2, with approximate unit-cell parameters a = 51.81, b = 46.04, c = 61.22 A, beta = 105.0 degrees , giving a solvent content of 44…

Enzyme Structure and FunctionRNA modifications and cancerBiochemical and Molecular Research

Characterisation of Ni–YSZ‐Cermets with Respect to Redox Stability

Manuel Ettler、Günter Blaß、Norbert H. Menzler2007-09-19Fuel Cells

Abstract In anode‐supported solid oxide fuel cells (SOFCs), air break‐in on the anode side can result in reoxidation of metallic nickel. The volume expansion caused by Ni oxidation generates stresses within the substrate, the anode and the electrolyte. Those stresses exceed the stability of the components, potentially…

Advancements in Solid Oxide Fuel CellsFuel Cells and Related MaterialsElectronic and Structural Properties of Oxides

Shape Evolution of Single-Crystalline Mn2O3 Using a Solvothermal Approach

Weina Li、Lichun Zhang、Shanthakumar Sithambaram 等 7 位作者2007-09-19The Journal of Physical Chemistry C

A new and facile route was developed to manipulate the growth of hierarchically ordered Mn 2 O 3 architectures via a solvothermal approach. Various solvents are employed to control the product morphologies and structures. Mn 2 O 3 with unique cuboctahedral, truncated-octahedral, and octahedral shapes are obtained, and…

ZnO doping and propertiesTransition Metal Oxide NanomaterialsCopper-based nanomaterials and applications

Preparation Parameter Development for Layer-by-Layer Assembly of Keggin-type Polyoxometalates

Bin Wang、Ritesh N. Vyas、Shafi Shaik2007-09-19Langmuir

Polyoxometalates possess many useful properties for electrochemical catalysis. These molecule-size clusters can be assembled into thin films through the layer-by-layer method. In this study, we determined a cluster concentration range within which layer-by-layer (LbL) films have been successfully fabricated. We also f…

Conducting polymers and applicationsPolymer Surface Interaction StudiesPolyoxometalates: Synthesis and Applications

Evaluation of an Organic Corrosion Inhibitor on Abiotic Corrosion and Microbiologically Influenced Corrosion of Mild Steel

Xiaoxia Sheng、Yen‐Peng Ting、Simo O. Pehkonen2007-09-19Industrial & Engineering Chemistry Research

Inhibition of mild steel corrosion by 2-methylbenzimidazole (MBI) in sterile enriched artificial seawater, and seawater with sulfate-reducing bacteria (SRB), was investigated using direct current polarization, electrochemical impedance spectroscopy (EIS), scanning electron microscopy (SEM), X-ray photoelectron spectro…

Corrosion Behavior and InhibitionWater Treatment and DisinfectionConcrete Corrosion and Durability

Optical size effects in ultrathin ZnO nanowires

D. Stichtenoth、Carsten Ronning、Tore Niermann 等 8 位作者2007-09-19Nanotechnology

Single crystal ZnO wurtzite nanowires grown along the c-axis with diameters down to 4 nm were synthesized by a catalytic vapor transport technique. Photoluminescence spectra of these wires indicate a blue shift of the free exciton by 19 meV due to confinement. This result was obtained by analyzing the line shape of th…

ZnO doping and propertiesQuantum Dots Synthesis And PropertiesNanowire Synthesis and Applications

Enzyme I<sup>Ntr</sup>, NPr and IIA<sup>Ntr</sup> Are Involved in Regulation of the Poly-β-Hydroxybutyrate Biosynthetic Genes in<i> Azotobacter vinelandii</i>

Raúl Noguez、Daniel Segura、Soledad Moreno 等 6 位作者2007-09-19Microbial Physiology

The &lt;i&gt;ptsP, ptsO&lt;/i&gt;, and &lt;i&gt;ptsN&lt;/i&gt; genes encode Enzyme I&lt;sup&gt;Ntr&lt;/sup&gt;, NPr, and enzyme IIA&lt;sup&gt;Ntr&lt;/sup&gt; (IIA&lt;sup&gt;Ntr&lt;/sup&gt;) proteins of the nitrogen-related phosphotransferase system. These proteins participate in a phosphoryl transfer chain in several…

biodegradable polymer synthesis and propertiesMicrobial Metabolic Engineering and BioproductionAmino Acid Enzymes and Metabolism