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Computer Aided Modeling of Polymer Reaction Engineering—The Status of Predici, I‐Simulation

Michael Wulkow2008-09-04Macromolecular Reaction Engineering

Abstract Over the last decade, the simulation package Predici has evolved from a solver for population balances describing molecular weight distributions in polymer reaction kinetics to a comprehensive tool for nearly all kinds of polymer processes. The key to Predici's wide‐spread applicability might be its modular i…

Polymer crystallization and propertiesAdvanced Polymer Synthesis and CharacterizationProcess Optimization and Integration

Reversible Intramolecular C−C Bond Formation/Breaking and Color Switching Mediated by a N,C-Chelate in (2-ph-py)BMes2 and (5-BMes2-2-ph-py)BMes2

Yingli Rao、Hazem Amarne、Shu‐Bin Zhao 等 8 位作者2008-09-04Journal of the American Chemical Society

A diboron compound with both 3-coordinate boron and 4-coordinate boron centers, (5-BMes2-2-ph-py)BMes2 (1) and its monoboron analogue, (2-ph-py)BMes2 (2) have been synthesized. Both compounds are luminescent but have a high sensitivity toward light. UV and ambient light cause both compounds to isomerize to 1a and 2a,…

Radical Photochemical ReactionsLuminescence and Fluorescent MaterialsOrganoboron and organosilicon chemistry

Entrapment of Carbon Dioxide in the Active Site of Carbonic Anhydrase II

John F. Domsic、Balendu Sankara Avvaru、Chae Un Kim 等 7 位作者2008-09-04Journal of Biological Chemistry

The visualization at near atomic resolution of transient substrates in the active site of enzymes is fundamental to fully understanding their mechanism of action. Here we show the application of using CO(2)-pressurized, cryo-cooled crystals to capture the first step of CO(2) hydration catalyzed by the zinc-metalloenzy…

Enzyme Structure and FunctionEnzyme function and inhibitionBiochemical and Molecular Research

Highly Disordered Polymer Field Effect Transistors: N-Alkyl Dithieno[3,2-b:2′,3′-d]pyrrole-Based Copolymers with Surprisingly High Charge Carrier Mobilities

Junying Liu、Rui Zhang、Geneviève Sauvé 等 5 位作者2008-09-04Journal of the American Chemical Society

A series of novel electroactive and photoactive conjugated copolymers based on N-alkyl dithieno[3,2-b:2',3'-d]pyrroles (DTP) and thiophene (TH) units (DTP-co-THs) were synthesized using a Stille coupling reaction and exhibited molecular weights of 1.6 x 10(4) to 5.0 x 10(4) g/mol. The incorporation of soluble substitu…

Organic Electronics and PhotovoltaicsConducting polymers and applicationsMolecular Junctions and Nanostructures

Ultrafast Dynamics of Flavins in Five Redox States

Ya‐Ting Kao、Chaitanya Saxena、Ting-Fang He 等 7 位作者2008-09-04Journal of the American Chemical Society

We report here our systematic studies of excited-state dynamics of two common flavin molecules, FMN and FAD, in five redox states--oxidized form, neutral and anionic semiquinones, and neutral and anionic fully reduced hydroquinones--in solution and in inert protein environments with femtosecond resolution. Using prote…

Light effects on plantsPhotochromic and Fluorescence ChemistryPhotoreceptor and optogenetics research

IFATS Collection: Human Adipose Tissue-Derived Stem Cells Induce Angiogenesis and Nerve Sprouting Following Myocardial Infarction, in Conjunction with Potent Preservation of Cardiac Function

Liying Cai、Brian H. Johnstone、Todd Cook 等 7 位作者2008-09-04Stem Cells

The administration of therapeutic cell types, such as stem and progenitor cells, has gained much interest for the limitation or repair of tissue damage caused by a variety of insults. However, it is still uncertain whether the morphological and functional benefits are mediated predominantly via cell differentiation or…

Mesenchymal stem cell researchElectrospun Nanofibers in Biomedical ApplicationsTissue Engineering and Regenerative Medicine

A novel ecological role of the Firmicutes identified in thermophilic microbial fuel cells

Kelly Wrighton、Peter Agbo、Falk Warnecke 等 9 位作者2008-09-04The ISME Journal

Significant effort is currently focused on microbial fuel cells (MFCs) as a source of renewable energy. Most studies concentrate on operation at mesophilic temperatures. However, anaerobic digestion studies have reported on the superiority of thermophilic operation and demonstrated a net energy gain in terms of methan…

Supercapacitor Materials and FabricationElectrochemical sensors and biosensorsMicrobial Fuel Cells and Bioremediation

Large-scale synthesis of copper nanoparticles by chemically controlled reduction for applications of inkjet-printed electronics

Youngil Lee、Jun-rak Choi、Kwi Jong Lee 等 5 位作者2008-09-04Nanotechnology

Copper nanoparticles are being given considerable attention as of late due to their interesting properties and potential applications in many areas of industry. One such exploitable use is as the major constituent of conductive inks and pastes used for printing various electronic components. In this study, copper nano…

Gold and Silver Nanoparticles Synthesis and ApplicationsNanomaterials and Printing TechnologiesFluid Dynamics and Thin Films

Ag@AgCl: A Highly Efficient and Stable Photocatalyst Active under Visible Light

Peng Wang、Baibiao Huang、Xiaoyan Qin 等 7 位作者2008-09-04Angewandte Chemie International Edition

Plasmonic photocatalyst [email protected], in which Ag nanoparticles are deposited on the surfaces of AgCl particles (SEM image depicted), was prepared by treating Ag2MoO4 with HCl to form AgCl powder and then reducing some Ag+ ions in the surface region of the AgCl particles to Ag0. This photocatalyst is highly effic…

TiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesCopper-based nanomaterials and applications

Highly Ordered C60 Monolayer Self-Assembled by Using an Iodine Template on an Au(111) Surface in Solution

Yaw-Chia Yang、Chi‐Yun Chen、Yuh‐Lang Lee2008-09-04Langmuir

An iodine-modified Au(111) surface, (I/Au(111)), was used as a substrate to prepare a C 60 adlayer by self-organization in a benzene solution. A highly ordered C 60 adlayer was successfully prepared due to the moderate C 60-I/Au(111) interaction. Two lattice structures, (2 square root 3 x 2 square root 3) R30 degrees…

Graphene research and applicationsMolecular Junctions and NanostructuresFullerene Chemistry and Applications

Low temperature transport and specific heat studies of Nd1−xPbxMnO3single crystals

N Ghosh、U K Rößler、K Nenkov 等 6 位作者2008-09-04Journal of Physics Condensed Matter

Electrical transport and specific heat properties of Nd_{1-x}Pb_{x}MnO_{3} single crystals for 0.15 < x 0.5 have been studied in low temperature regime. The resistivity in the ferromagnetic insulating (FMI) phase for x < 0.3 has an activated character. The dependence of the activation gap Delta on doping x has been de…

Theoretical and Computational PhysicsMagnetic and transport properties of perovskites and related materialsMultiferroics and related materials

Metallic nanocrystals near ultrasmooth metallic films for surface-enhanced Raman scattering application

Jing Tang、Ekaterina Ponizovskaya Devine、Alexander Bratkovsky 等 6 位作者2008-09-04Nanotechnology

We studied the effect of the substrate on the surface-enhanced Raman scattering (SERS) signals of metallic nanocrystal films by making a direct comparison between cases with metallic and semiconducting substrate surfaces. Ag nanoparticles smaller than 10 nm were synthesized and uniform arrays were formed on both ultra…

Gold and Silver Nanoparticles Synthesis and ApplicationsProtein Interaction Studies and Fluorescence AnalysisNanocluster Synthesis and Applications

The local study of a nanoBud structure

Ying Tian、Delphine Chassaing、Albert G. Nasibulin 等 8 位作者2008-09-04physica status solidi (b)

Abstract We studied a NanoBud structure in a local‐scale using high resolution transmission electron microscopy (HRTEM), scanning tunnelling microscopy (STM) and Raman spectroscopy. The HRTEM images show fullerenes on the outer surface of a single‐walled carbon nanotube (SWCNT) and the bonding between the fullerenes a…

Carbon Nanotubes in CompositesGraphene research and applicationsFullerene Chemistry and Applications

Polycrystalline diamond on self-assembled detonation nanodiamond: a viable route for fabrication of all-diamond preformed microcomponents

Maria Letizia Terranova、Silvia Orlanducci、Emanuela Tamburri 等 7 位作者2008-09-04Nanotechnology

Surface assisted self-assembly of detonation nanodiamond particles (with typical sizes in the range 4-10 nm) has been obtained using different fractions of colloidal aqueous dispersions as starting material. The relationship between dispersion properties and structure/geometry of the aggregates deposited on Si or glas…

Carbon Nanotubes in CompositesDiamond and Carbon-based Materials ResearchForce Microscopy Techniques and Applications

Experimental observation of Rabi splitting in effective near-zero-index media in the microwave regime

Liwei Zhang、Yewen Zhang、Yaping Yang 等 6 位作者2008-09-04Physical Review E

We report the observation of a strong coupling between an artificial "atom" and localized interface mode in the microwave regime. Transmittance is experimentally measured for the effective near-zero-index paired structures containing epsilon -negative and mu -negative materials made of composite right- and left-handed…

Metamaterials and Metasurfaces ApplicationsPlasmonic and Surface Plasmon ResearchStrong Light-Matter Interactions

Capillary filling of single‐walled carbon nanotubes with ferrocene in an organic solvent

Hidetsugu Shiozawa、Cristina E. Giusca、S. Ravi P. Silva 等 5 位作者2008-09-04physica status solidi (b)

Abstract Capillary reactions of single‐walled carbon nanotubes have been investigated both in ferrocene‐saturated acetone and in ferrocene vapor. The encapsulations of ferrocene are observed as subsequent growth of inner shell tubes. From Raman spectroscopy we show that the filling yield is about ten times higher with…

Carbon Nanotubes in CompositesGraphene research and applicationsMolecular Junctions and Nanostructures

Isotopic Mass Effects for Low-Energy Ion Channeling in Single-Wall Carbon Nanotubes

Li-Ping Zheng、Zhiyuan Zhu、Yong Li 等 5 位作者2008-09-04The Journal of Physical Chemistry C

Monte Carlo (MC) simulation studies of isotopic mass effects have been conducted, for low-energy channeling of 12 C and 13 C ions in single-wall carbon nanotubes. It is found in MC simulations that (Ψ C for 12 C /Ψ C for 13 C ) = (13/12) 1/2, for the same incident energies. Here, Ψ C for 12 C is the critical angle for…

Carbon Nanotubes in CompositesGraphene research and applicationsMuon and positron interactions and applications

Fungal Templates for Noble‐Metal Nanoparticles and Their Application in Catalysis

Nadja C. Bigall、Manuela Reitzig、Wolfgang Naumann 等 6 位作者2008-09-04Angewandte Chemie

Lebende Schablone: Citratstabilisierte Gold-, Silber-, Platin- und Palladium-Nanopartikellösungen wurden synthetisiert und als Wachstumsmedien für Pilze verwendet. Die Nanokristalle lagern sich teilweise an das Mycel an, wodurch eine Hybridstruktur aus biologischem Templat und Nanoteilchenhülle entsteht. Die Partikel…

Nanoparticles: synthesis and applicationsGold and Silver Nanoparticles Synthesis and ApplicationsNanocluster Synthesis and Applications

Breakout and Breakdown Induced by Crystallization in Cylinder-Forming Diblock Copolymers

Yong Qian、Tao Cai、Wenbing Hu2008-09-04Macromolecules

We report dynamic Monte Carlo simulations of polymer crystallization confined softly in cylindrical microdomains of diblock copolymers. We observed both the breakout that generally raises coalescence of microdomains and the breakdown that uniquely turns cylinders into strings of single crystallites. They can be monito…

Polymer crystallization and propertiesBlock Copolymer Self-AssemblyAnodic Oxide Films and Nanostructures

In Situ Observation of the Formation of Si Clathrate Ba8Si46 at High Pressures and High Temperatures

Motoharu Imai、Takumi Kikegawa2008-09-04Inorganic Chemistry

X-ray diffraction measurements at high pressures and high temperatures revealed that Si clathrate Ba 8Si 46 is formed by a solid-phase reaction of an 8:30 molar mixture of SrSi 2-phase BaSi 2 and Si after BaSi 2 undergoes the BaSi 2-to-EuGe 2 and the EuGe 2-to-SrSi 2 transitions. The volume reduction during the format…

High-pressure geophysics and materialsFullerene Chemistry and ApplicationsBoron and Carbon Nanomaterials Research