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Interesting Properties (interesting + property)
Selected AbstractsInteresting properties of Thomas,Fermi kinetic and Parr electron,electron-repulsion DFT energy functional generated compact one-electron density approximation for ground-state electronic energy of molecular systemsJOURNAL OF COMPUTATIONAL CHEMISTRY, Issue 9 2009Sandor Kristyan Abstract The reduction of the electronic Schrodinger equation or its calculating algorithm from 4N -dimensions to a (nonlinear, approximate) density functional of three spatial dimension one-electron density for an N -electron system, which is tractable in the practice, is a long desired goal in electronic structure calculation. If the Thomas-Fermi kinetic energy (,,,5/3dr1) and Parr electron,electron repulsion energy (,,,4/3dr1) main-term functionals are accepted, and they should, the later described, compact one-electron density approximation for calculating ground state electronic energy from the 2nd Hohenberg,Kohn theorem is also noticeable, because it is a certain consequence of the aforementioned two basic functionals. Its two parameters have been fitted to neutral and ionic atoms, which are transferable to molecules when one uses it for estimating ground-state electronic energy. The convergence is proportional to the number of nuclei (M) needing low disc space usage and numerical integration. Its properties are discussed and compared with known ab initio methods, and for energy differences (here atomic ionization potentials) it is comparable or sometimes gives better result than those. It does not reach the chemical accuracy for total electronic energy, but beside its amusing simplicity, it is interesting in theoretical point of view, and can serve as generator function for more accurate one-electron density models. © 2008 Wiley Periodicals, Inc. J Comput Chem 2009 [source] Improved synthesis of DOTA tetraamide ligands for lanthanide(III) ions: A tool for increasing the repertoire of potential PARACEST contrast agents for MRI and/or fluorescent sensorsCONTRAST MEDIA & MOLECULAR IMAGING, Issue 3 2010Luis M. De León-Rodríguez Abstract The synthesis of new DOTA tetraamide (DOTAMR4) compounds is of great interest given their application in the formation of Ln(III) complexes as potential PARACEST contrast agents in MRI or fluorescent molecular probes. In this context amino acid and peptide DOTAMR4 derivatives are particularly attractive since the amino-acid and/or peptide moiety can show responsive properties dependent on a given stimuli which might translate to changes in water exchange rates of the corresponding Ln(III) complex. Current synthesis of DOTAMR4 derivatives is typically carried out by reacting haloacetamide intermediates with cyclen. However, this method fails to generate the tetra-substituted products when bulky substituents are present in the haloacetamide and in some cases this intermediate cannot be prepared by conventional acylation procedures limiting the number of DOTAMR4 compounds available for study. As a solution to these limitations, an improved methodology for the synthesis of DOTAMR4 by coupling DOTA to an appropriate amine containing reagent (i.e. protected amino-acids with the , -amino group free) is presented in this work. Several DOTAMR4 derivatives which are difficult or impossible to prepare with the traditional methodologies were easily obtained starting with DOTA. A new protocol was derived using this methodology for the solution-phase synthesis of DOTA peptide derivatives. With this methodology, many other DOTAMR4 peptide and non-peptide derivatives have been prepared in our laboratories with several of these new compounds showing interesting properties for molecular imaging. Copyright © 2010 John Wiley & Sons, Ltd. [source] Generalized Birnbaum-Saunders distributions applied to air pollutant concentrationENVIRONMETRICS, Issue 3 2008Víctor Leiva Abstract The generalized Birnbaum-Saunders (GBS) distribution is a new class of positively skewed models with lighter and heavier tails than the traditional Birnbaum-Saunders (BS) distribution, which is largely applied to study lifetimes. However, the theoretical argument and the interesting properties of the GBS model have made its application possible beyond the lifetime analysis. The aim of this paper is to present the GBS distribution as a useful model for describing pollution data and deriving its positive and negative moments. Based on these moments, we develop estimation and goodness-of-fit methods. Also, some properties of the proposed estimators useful for developing asymptotic inference are presented. Finally, an application with real data from Environmental Sciences is given to illustrate the methodology developed. This example shows that the empirical fit of the GBS distribution to the data is very good. Thus, the GBS model is appropriate for describing air pollutant concentration data, which produces better results than the lognormal model when the administrative target is determined for abating air pollution. Copyright © 2007 John Wiley & Sons, Ltd. [source] Divergent and Linear Solid-Phase Synthesis of PNA Containing Thiazole Orange as Artificial BaseEUROPEAN JOURNAL OF ORGANIC CHEMISTRY, Issue 15 2005Dilip V. Jarikote Abstract Fluorescent nucleobase surrogates provide nucleic acids with interesting properties. We have recently introduced thiazole orange as base surrogate into PNA and found that the so-called FIT (Forced Intercalation of Thiazole orange) PNA probes signal hybridization by enhancements of fluorescence. Common approaches of modifying nucleobases or introducing nucleobase surrogates draw upon the usage of monomer building blocks that have been synthesized in solution phase. The need to prefabricate a base-modified building block can hold up progress if several base modifications or base surrogates are to be evaluated. Herein, a method for divergent solid-phase synthesis is presented that serves the purpose to facilitate the screening for base surrogates that fluoresce upon hybridization. An Fmoc/Aloc-protected submonomer allowed the application of commonly used Fmoc-based solid-phase synthesis protocols while removal of the fully orthogonal Aloc group enabled the on-resin introduction of base surrogates after the linear chain assembly had been completed. The divergent solid-phase synthesis strategy is automatable, gives overall yields matching those of linear solid-phase synthesis and, most importantly, provides rapid access to any kind of base-modified PNA. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005) [source] Fatigue behaviour of riveted Glare lap jointsFATIGUE & FRACTURE OF ENGINEERING MATERIALS AND STRUCTURES, Issue 9 2001L. Lazzeri Fibre metal laminates, such as Glare, are a family of materials with very interesting properties for fatigue-critical applications. This article describes the results of a research programme carried out to evaluate the fatigue and damage tolerance characteristics of riveted Glare lap joints, representative of fuselage longitudinal joints. The comparison with the behaviour of metallic joints shows that different contributions are made to the total fatigue life, with the crack propagation life being by far the longer one for the Glare material whereas the crack nucleation life covers almost the entire fatigue life for metallic joints. Design rules should take this peculiar behaviour into consideration, to achieve the maximum benefit in the use of this class of materials in fatigue-critical applications. [source] Construction of hybrid peptide synthetases for the production of ,- l -aspartyl- l -phenylalanine, a precursor for the high-intensity sweetener aspartameFEBS JOURNAL, Issue 22 2003Thomas Duerfahrt Microorganisms produce a large number of pharmacologically and biotechnologically important peptides by using nonribosomal peptide synthetases (NRPSs). Due to their modular arrangement and their domain organization NRPSs are particularly suitable for engineering recombinant proteins for the production of novel peptides with interesting properties. In order to compare different strategies of domain assembling and module fusions we focused on the selective construction of a set of peptide synthetases that catalyze the formation of the dipeptide ,- l -aspartyl- l -phenylalanine (Asp-Phe), the precursor of the high-intensity sweetener ,- l -aspartyl- l -phenylalanine methyl ester (aspartame). The de novo design of six different Asp-Phe synthetases was achieved by fusion of Asp and Phe activating modules comprising adenylation, peptidyl carrier protein and condensation domains. Product release was ensured by a C-terminally fused thioesterase domains and quantified by HPLC/MS analysis. Significant differences of enzyme activity caused by the fusion strategies were observed. Two forms of the Asp-Phe dipeptide were detected, the expected ,-Asp-Phe and the by-product ,-Asp-Phe. Dependent on the turnover rates ranging from 0.01,0.7 min,1, the amount of ,-Asp-Phe was between 75 and 100% of overall product, indicating a direct correlation between the turnover numbers and the ratios of ,-Asp-Phe to ,-Asp-Phe. Taken together these results provide useful guidelines for the rational construction of hybrid peptide synthetases. [source] Triplex Au,Ag,C Core,Shell Nanoparticles as a Novel Raman LabelADVANCED FUNCTIONAL MATERIALS, Issue 6 2010Aiguo Shen Abstract Monodispersed, readily-grafted, and biocompatible surface-enhanced Raman spectroscopic (SERS) tagging materials are developed; they are composed of bimetallic Au@Ag nanoparticles (NPs) for optical enhancement, a reporter molecule for spectroscopic signature, and a carbon shell for protection and bioconjugation. A controllable and convenient hydrothermal synthetic route is presented to synthesize the layer-by-layer triplex Au,Ag,C core,shell NPs, which can incorporate the Raman-active label 4-mercapto benzoic acid (4-MBA). The obtained gold seed,silver coated particles can be coated further with a thickness-controlled carbon shell to form colloidal carbon-encapsulated Aucore/Agshell spheres with a monodisperse size distribution. Furthermore, these SERS-active spheres demonstrated interesting properties as a novel Raman tag for quantitative immunoassays. The results suggest such SERS tags can be used for multiplex and ultrasensitive detection of biomolecules as well as nontoxic, in vivo molecular imaging of animal or plant tissues. [source] An extended finite element framework for slow-rate frictional faulting with bulk plasticity and variable frictionINTERNATIONAL JOURNAL FOR NUMERICAL AND ANALYTICAL METHODS IN GEOMECHANICS, Issue 13 2009Fushen Liu Abstract We present an extended finite element (FE) approach for the simulation of slow-rate frictional faulting in geologic media incorporating bulk plasticity and variable friction. The method allows the fault to pass through the interior of FEs without remeshing. The extended FE algorithm for frictional faulting, advocated in two recent articles, emanates from a variational equation formulated in terms of the relative displacement on the fault. In the present paper we consider the combined effects of bulk plasticity and variable friction in a two-dimensional plane strain setting. Bulk plasticity is localized to the fault tip and could potentially be used as a predictor for the initiation and propagation of new faults. We utilize a variable velocity- and state-dependent friction, known as the Dieterich,Ruina or ,slowness' law, formulated in a slip-weakening format. The slip-weakening/variable friction model is then time-integrated according to the generalized trapezoidal rule. We present numerical examples demonstrating the convergence properties of a global Newton-based iterative scheme, as well as illustrate some interesting properties of the variable friction model. Copyright © 2009 John Wiley & Sons, Ltd. [source] Single-layer perceptron and dynamic neuron implementing linearly non-separable Boolean functionsINTERNATIONAL JOURNAL OF CIRCUIT THEORY AND APPLICATIONS, Issue 3 2009Fangyue Chen Abstract This paper presents a single-layer perceptron (SLP) scheme with an impulse activation function (IAF) and a dynamic neuron (DN) with a trapezoidal activation function (TAF). Combining with some interesting properties of the offset levels, it is shown that many linearly non-separable Boolean functions can be realized by using only one SLPwIAF or one DNwTAF. In the present work, a few appropriate IAF and TAF are adopted, and the inverse offset level method is used for the design of the SLPwIAF synaptic weights and the DNwTAF templates. The XOR and NXOR Boolean operations with two inputs and all 152 non-separable Boolean functions with three inputs can be easily implemented by one SLPwIAF or one DNwTAF. Finally, the entire set of 152 DNwTAF templates associated with 152 non-separable Boolean functions of three inputs is completely listed. Copyright © 2008 John Wiley & Sons, Ltd. [source] A very promising new glucolipidic surfactant: LipowheatTMINTERNATIONAL JOURNAL OF COSMETIC SCIENCE, Issue 6 2005A. Djedour Synopsis LipowheatTM is an entirely biodegradable 100% natural active ingredient, extracted from non-transgenic wheat. Thanks to its very interesting properties, it can integrate the composition of most cosmetic and pharmaceutical products. The aim of this work was first to realize a large range of stable simple or multiple emulsions, in order to determine and evaluate the ability of a new glucolipidic surfactant LipowheatTM to form and stabilize emulsions. The rheological properties of these emulsions were tested during a 30-day storage period at three different storage conditions (cold, room temperature and at 40°C). In addition to dynamic and static rheological tests, droplet size distribution of the cream was also determined. Furthermore, a stable simple emulsion was selected to realize percutaneous absorption and evaluate the properties of LipowheatTM. Résumé Ce travail a pour objectif de mettre à jour et d'évaluer les propriètés émulsionnantes d'un nouveau tensioactif de nature glucolipidique, connu jusqu'alors pour ses propriétés actives en cosmétologie: le LipowheatTM. Cette étude comporte plusieurs parties distinctes: 1) Formulation d'émulsions simples L/H et/ou H/L et multiples H/L/H stabilisèes par du LipowheatTM, avec des huiles variant par leur origine (naturelle ou synthétique) ainsi que par leur polarité. 2) Caractérisation rhéologique, granulométrique, et conductimétrique de ces émulsions après les avoir soumises pendant 30 jours à des conditions de vieillissement accéléré (conservation à température ambiante, à +4°C et +40°C) et ce, afin d'en retenir les plus stables pour la suite de l'étude. 3) Enfin, dans une dernière phase, les propriètés de ces crèmes dans le domaine de la libération dermopharmaceutique seront évaluées lors d'études in vitro. [source] Studies on bioemulsifier production by Acinetobacter strains isolated from healthy human skinJOURNAL OF APPLIED MICROBIOLOGY, Issue 2 2001J.R. Patil Aims: In recent years, interest has been growing in the search for novel bioemulsifiers. Many bacterial genera including Acinetobacter have been reported to produce bioemulsifiers. The present study aims to screen Acinetobacter isolates from healthy human skin for bioemulsifier production. Methods and Results: Acinetobacter junii SC14 produced maximum bioemulsifier in the presence of almond oil during stationary growth phase at 37°C and pH 7·2. Partially purified, nondialysable bioemulsifier from SC14 was a proteoglycan. The protein and polysaccharide fractions resulted in 95·2% reconstitution of the emulsification activity. The role of esterase in the release of cell-bound emulsifier and the contribution of capsular polysaccharide to the emulsification activity were observed. Conclusion:Acinetobacter strains from human skin exhibited better emulsification activity than that by burn wound or soil isolates, owing to the inherent differences in chemical microenvironment of their habitats. Significance and Impact of the Study: Investigation of skin commensals, especially acinetobacters, would lead to the discovery of novel bioemulsifiers with interesting properties. Attempts of screening and strain improvement directed towards skin commensals will open up new avenues for strains producing bioemulsifier on a commercial scale. [source] Investigation of the ultradrawing properties of gel spun fibers of ultra-high molecular weight polyethylene/carbon nanotube blendsJOURNAL OF APPLIED POLYMER SCIENCE, Issue 5 2008Jen-Taut Yeh Abstract The carbon nanotubes (CNTs) contents, ultrahigh-molecular-weight polyethylene (UHMWPE) concentrations and temperatures of UHMWPE, and CNTs added gel solutions exhibited significant influence on their rheological and spinning properties and the drawability of the corresponding UHMWPE/CNTs as-prepared fibers. Tremendously high shear viscosities (,s) of UHMWPE gel solutions were found as the temperatures reached 140°C, at which their ,s values approached the maximum. After adding CNTs, the ,s values of UHMWPE/CNTs gel solutions increase significantly and reach a maximum value as the CNTs contents increase up to a specific value. At each spinning temperature, the achievable draw ratios obtained for UHMWPE as-prepared fibers prepared near the optimum concentration are significantly higher than those of UHMWPE as-prepared fibers prepared at other concentrations. After addition of CNTs, the achievable draw ratios of UHMWPE/CNTs as-prepared fibers prepared near the optimum concentration improve consistently and reach a maximum value as their CNTs contents increase up to an optimum value. To understand these interesting drawing properties of the UHMWPE and UHMWPE/CNTs as-prepared fibers, the birefringence, thermal, morphological, and tensile properties of the as-prepared and drawn fibers were investigated. Possible mechanisms accounting for these interesting properties are proposed. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci, 2008 [source] A structure/function study of polyaminoamide dendrimers as silica scale growth inhibitorsJOURNAL OF CHEMICAL TECHNOLOGY & BIOTECHNOLOGY, Issue 6 2005Konstantinos D Demadis Abstract Dendrimers have attracted immense attention during the last decade due to their interesting properties both from a basic and an applied research viewpoint. Encapsulation of metal nanoparticles for catalysis, drug delivery and light harvesting are only some applications of dendrimers that are breaking new ground. A novel application of dendrimer technology is described in the present paper that relates to industrial water treatment. Industrial water systems often suffer from undesirable inorganic deposits. These can form either in the bulk or on metallic surfaces, such as heat exchangers or pipelines. Silica (SiO2) scale formation and deposition is a major problem in high-silica-containing cooling waters. Scale prevention rather than removal is highly desired. In this paper, benchtop screening tests on various silica inhibition chemistries are reported, with emphasis on materials with a dendrimeric structure. Specifically, the inhibition properties of commercially available STARBURST® polyaminoamide (PAMAM) dendrimers generations 0.5, 1, 1.5, 2, and 2.5 are investigated in detail together with other commonly-used scale inhibitors. Experimental results show that inhibition efficiency largely depends on structural features of PAMAM dendrimers such as generation number and nature of the end groups. PAMAM dendrimers are effective inhibitors of silica scale growth at 40 ppm dosage levels. PAMAM dendrimers also act as silica nucleators, forming SiO2,PAMAM composites. This occurs because the SiO2 formed by incomplete inhibition interacts with cationic PAMAM-1 and -2. The general scope of silica formation and inhibition in industrial waters is also discussed. Copyright © 2005 Society of Chemical Industry [source] Immiscible polymers in double spin-coated electroluminescent devices containing phenyl-substituted tris(8-hydroxyquinoline)aluminum derivatives soluble in a host polymerJOURNAL OF POLYMER SCIENCE (IN TWO SECTIONS), Issue 19 2003E. Shoji Abstract Three new phenyl-substituted tris(8-hydroxyquinoline)aluminum (AlQ3) derivatives have been synthesized: tris(5-phenyl-8-quinolinolate-N1,O8)aluminum, tris(5,7-diphenyl-8-quinolinolate-N1,O8)aluminum, and tris[5,7-bis(p -fluorophenyl)-8-quinolinolate-N1,O8]aluminum. These AlQ3 derivatives are easily soluble in common organic solvents and form solid-phase solutions in a poly(aryl ether ketone) host polymer (A435). These interesting properties allow the use of soluble AlQ3 derivatives in double spin-coated organic light-emitting devices of the type ITO/NPB-QP/A435 + 50 wt % soluble AlQ3 derivative/Mg, where NPB-QP is a hole-transporting polymer insoluble in toluene, the solvent for A435. Typical double spin-coated organic layer devices are characterized by an emission at 530,539 nm, a threshold voltage of 6,9 V, and a maximum luminance of 1800,4000 cd/m2 at 21,25 V. © 2003 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 41: 3006,3016, 2003 [source] Fluorinated vinyl ethers as new surface agents in the photocationic polymerization of vinyl ether resinsJOURNAL OF POLYMER SCIENCE (IN TWO SECTIONS), Issue 18 2003R. Bongiovanni Abstract The syntheses of fluorinated vinyl ethers (H2CCHOCH2CH2CnF2n+1, n = 6 or 8) and their copolymerizations with bis(4-vinyloxybutyl) isophthalate are reported. The fluorinated monomers were prepared by the transetherification of ethyl vinyl ether and fluorinated alcohols in a 75% yield. Added in low concentrations (0.1,3.0 wt %) to formulations containing bis(4-vinyloxybutyl) isophthalate, they did not affect the kinetics of the cationic photopolymerization. The cured films were transparent and showed interesting properties in terms of wettability, hardness, cross-cut adhesion, and chemical inertness. The fluoromonomers increased the hydrophobicity of the film surface, whereas the adhesion on various substrates such as glass and wood was unchanged. An increase in the methyl ethyl ketone resistance was also observed. © 2003 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 41: 2890,2897, 2003 [source] Nonepitaxial Orientation in Sol,Gel Bismuth Titanate FilmsJOURNAL OF THE AMERICAN CERAMIC SOCIETY, Issue 2 2002Paul Fuierer Control over crystallographic orientation in ceramic thin films is important for highly anisotropic structures. Layered perovskites, like Bi4Ti3O12, have interesting properties associated with their ferroelectric nature, which may be fully exploited only when films are highly textured. Textured films of this titanate were fabricated via a sol,gel technique without using epitaxial growth. Orientation in the film is confirmed by XRD and SEM, and supported by refractive index and dielectric measurements. In an attempt to explain the orienting effect, light scattering experiments were conducted to yield information about the molecular size, shape, and conformation of macromolecules as the sol,gel solution ages and condensation reactions proceed. These experiments clearly show an increase in the size of molecular clusters with time. We believe that it is the organization of these large clusters during spin coating, and the relationship of the backbone chemistry to the crystal structure of Bi4Ti3O12, that are responsible for the observed orientation. [source] Metal,Ligand-Containing Polymers: Terpyridine as the Supramolecular UnitMACROMOLECULAR RAPID COMMUNICATIONS, Issue 9-10 2010Raja Shunmugam Abstract New and interesting properties can be obtained from macromolecular architectures functionalized with supramolecular moieties, particularly metal,ligand complexes. Self-assembly, based on the selective control of noncovalent interactions, guides the creation of hierarchically ordered materials providing access to novel structures and new properties. This field has expanded significantly in the last two decades, and one of the most ubiquitous functionalities is terpyridine. Despite its wide-spread use, much basic knowledge regarding the binding of terpyridine with metal ions remains unknown. Here, the binding constants of PEG-substituted terpyridine in relation to other literature reports are studied and a few examples of supramolecular materials from our laboratory are summarized. [source] Crystal fingerprint space , a novel paradigm for studying crystal-structure setsACTA CRYSTALLOGRAPHICA SECTION A, Issue 5 2010Mario Valle The initial aim of the crystal fingerprint project was to solve a very specific problem: to classify and remove duplicate crystal structures from the results generated by the evolutionary crystal-structure predictor USPEX. These duplications decrease the genetic diversity of the population used by the evolutionary algorithm, potentially leading to stagnation and, after a certain time, reducing the likelihood of predicting essentially new structures. After solving the initial problem, the approach led to unexpected discoveries: unforeseen correlations, useful derived quantities and insight into the structure of the overall set of results. All of these were facilitated by the project's underlying idea: to transform the structure sets from the physical configuration space to an abstract, high-dimensional space called the fingerprint space. Here every structure is represented as a point whose coordinates (fingerprint) are computed from the crystal structure. Then the space's distance measure, interpreted as structure `closeness', enables grouping of structures into similarity classes. This model provides much flexibility and facilitates access to knowledge and algorithms from fields outside crystallography, e.g. pattern recognition and data mining. The current usage of the fingerprint-space model is revealing interesting properties that relate to chemical and crystallographic attributes of a structure set. For this reason, the mapping of structure sets to fingerprint space could become a new paradigm for studying crystal-structure ensembles and global chemical features of the energy landscape. [source] Epitaxial graphene: a new materialPHYSICA STATUS SOLIDI (B) BASIC SOLID STATE PHYSICS, Issue 7 2008Th. Seyller Abstract Graphene, a two-dimensional sheet of sp2 -bonded carbon arranged in a honeycomb lattice, is not only the building block of fullerenes, carbon nano tubes (CNTs) and graphite, it also has interesting properties, which have caused a flood of activities in the past few years. The possibility to grow graphitic films with thicknesses down to a single graphene layer epitaxially on SiC{0001} surfaces is promising for future applications. The two-dimensional nature of epitaxial graphene films make them ideal objects for surface science techniques such as photoelectron spectroscopy, low-energy electron diffraction, and scanning probe microscopy. The present article summarizes results from recent photoemission studies covering a variety of aspects such as the growth of epitaxial graphene and few layer graphene, the electronic and structural properties of the interface to the SiC substrate, and the electronic structure of the epitaxial graphene stacks. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Thick crack-free AlGaN films deposited by facet-controlled epitaxial lateral overgrowthPHYSICA STATUS SOLIDI (C) - CURRENT TOPICS IN SOLID STATE PHYSICS, Issue 7 2003R. Liu Abstract Thick crack-free AlGaN films have been grown on inclined-facet GaN templates. Light emitting diodes with , = 323 nm has been achieved on these epilayers. The GaN template was grown at a low temperature in order to obtain triangle-facet growth fronts. Subsequent growth of AlGaN on this template involving a lateral overgrowth process exhibits interesting properties. The microstructure and optical characterizations were done using transmission electron microscopy and cathodoluminescence. At the AlGaN/GaN interface, a high density of dislocations was created due to lattice mismatch strain. Another unexpected set of triangular boundaries was observed inside the AlGaN layer, which grew without any change of the growth parameters. These boundaries were found to arise from domains grown in different directions. Mono-chromatic cathodoluminescence images indicate that Al content is different between the vertically-grown and the laterally-grown domains, suggesting that lattice mismatch strain exists between them. Dislocations were created at these mismatched boundaries to relax the strain. (© 2003 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Nanostructured thermosets from self-assembled amphiphilic block copolymer/epoxy resin mixtures: effect of copolymer content on nanostructuresPOLYMER INTERNATIONAL, Issue 4 2010Miren Blanco Abstract Nanostructure formation in thermosets can allow the design of materials with interesting properties. The aim of this work was to obtain a nanostructured epoxy system by self-assembly of an amphiphilic diblock copolymer in an unreacted epoxy/amine mixture followed by curing of the matrix. The copolymer employed was polystyrene- block -poly(methyl methacrylate) (PS- b -PMMA). The thermoset system, formed by a diglycidyl ether of bisphenol A-type epoxy resin and diaminodiphenylmethane hardener, was chosen to ensure the miscibility of most of the PMMA block until matrix gelation. Transparent materials with microphase-separated domains were obtained for copolymer contents lower than 40 wt%. In systems containing 20 and 30 wt% block copolymer, the PS block formed spherical micelles or worm-like structures before curing, which were stabilized through curing by the more compatible PMMA block phase. Nanostructured thermoset systems were successfully synthesized for self-assembled amphiphilic block copolymer,epoxy/amine mixtures for copolymer contents lower than 40 wt%. Copyright © 2009 Society of Chemical Industry [source] Synthesis of azobenzene-functionalized two-arm, three-arm and four-arm telomers using polyfunctional chain transfer agentsPOLYMER INTERNATIONAL, Issue 11 2009Md Zahangir Alam Abstract BACKGROUND: Star-shaped polymers are very attractive because of their interesting properties such as reduced viscosity, good solubility, low glass transition temperature and fast response to external stimuli. The incorporation of azobenzene moieties in star-shaped polymers could significantly widen their potential applications in various optical devices. One of the most important properties of the azobenzene chromophore is its reversible trans,cis photoisomerization induced by UV or visible light. Photoisomerization induces conformational changes in azopolymer chains, which in turn lead to macroscopic variations in chemical and physical properties of the surroundings and media. RESULTS: This study reports the synthesis of azobenzene-functionalized two-, three- and four-arm telomers via free radical telomerization using the di-, tri- and tetrafunctional chain transfer agents 1,2- and 1,4-benzenedimethanethiol, trimethylolpropane-tris(2-mercaptoacetate) and pentaerythritol-tetrakis(3-mercaptopropionate), respectively, in the presence of azobisisobutyronitrile. Azotelomers were characterized using gel permeation chromatography and 1H NMR and Fourier transform infrared spectroscopy. Thermal phase transition behaviors were investigated using differential scanning calorimetry and polarized optical microscopy. Azotelomers synthesized in this study showed reversible photoisomerization and a fast generation of birefringence. CONCLUSION: Considering the photoisomerization behavior and birefringence of the two-, three- and four-arm azotelomers, it can be concluded that they could be potential candidates for use in various optical devices. Copyright © 2009 Society of Chemical Industry [source] Novel properties of wave propagation in biaxially anisotropic left-handed materialsANNALEN DER PHYSIK, Issue 6 2004J.Q. Shen Abstract Some physically interesting properties and effects (including the quantum effects) of wave propagation in biaxially anisotropic left-handed materials are investigated in this paper: (i) we show that in the biaxially gyrotropic left-handed material, the left-right coupling of circularly polarized light arises due to the negative indices in permittivity and permeability tensors of gyrotropic media; (ii) it is well known that the geometric phases of photons inside a curved fiber in previous experiments often depend on the cone angles of solid angles subtended by a curve traced by the direction of wave vector of light, at the center of photon momentum space. Here, however, for the light propagating inside certain anisotropic left-handed media we will present a different geometric phase that is independent of the cone angles; (iii) the extra phases of electromagnetic wave resulting from the instantaneous helicity inversion at the interfaces between left- and right-handed (LRH) media is also studied in detail by using the Lewis-Riesenfeld invariant theory. Some interesting applications (e.g., controllable position-dependent frequency shift, detection of quantum-vacuum geometric phases and helicity reversals at the LRH interfaces etc.) of above effects and phenomena in left-handed media is briefly discussed. [source] Downstream Processing of Enzymatically Produced Geranyl GlucosideBIOTECHNOLOGY PROGRESS, Issue 5 2001B. Mattheus de Roode Geraniol plays an important role in the fragrance and flavor industry. The corresponding glucoside has interesting properties as a "slow release" aroma compound. Therefore, the enzymatic production and downstream processing of geranyl glucoside were investigated. Geranyl glucoside was produced in a spray column reactor with an initial production rate of 0.58 mg U,1 h,1. A pretreated hydrophobic microfiltration membrane was used to prevent migration of the aqueous, enzyme-containing phase to the downstream process. No retention of the glucoside, which accumulated in the geraniol phase, was found. On the basis of examples from the literature, four downstream processes were tested on their viability for this system. Extraction with water and foaming were not suitable to recover geranyl glucoside from geraniol. In the first case, the glucoside selectivity for the geraniol phase was found to be high, which made extraction with water unsuccessful. In the second case it was possible to obtain a stable foam, but significant enrichment of the foam with glucoside did not occur. Adsorption on alumina and distillation under reduced pressure were applied successfully and tested in-line with the bioreactor. A maximum glucoside adsorption of 7.86 mg g,1 was achieved on alumina. After desorption and evaporation of the extractant the pure glucoside was obtained quantitatively. A pure product could not be obtained after distillation because a small amount of glucose was present in the permeate as well, which accumulated in the bottom fraction. It was shown that with this reactor system a production of 1 kg of geranyl glucoside in 2 days is possible using an initial amount of 50,000 units of enzyme. [source] Understanding the Plasticity of the ,/, Hydrolase Fold: Lid Swapping on the Candida antarctica Lipase B Results in Chimeras with Interesting Biocatalytic PropertiesCHEMBIOCHEM, Issue 3 2009Michael Skjøt Dr. Abstract The best of both worlds. Long molecular dynamics (MD) simulations of Candida antarctica lipase B (CALB) confirmed the function of helix ,5 as a lid structure. Replacement of the helix with corresponding lid regions from CALB homologues from Neurospora crassa and Gibberella zeae resulted in new CALB chimeras with novel biocatalytic properties. The figure shows a snapshot from the MD simulation. The Candida antarctica lipase B (CALB) has found very extensive use in biocatalysis reactions. Long molecular dynamics simulations of CALB in explicit aqueous solvent confirmed the high mobility of the regions lining the channel that leads into the active site, in particular, of helices ,5 and ,10. The simulation also confirmed the function of helix ,5 as a lid of the lipase. Replacing it with corresponding lid regions from the CALB homologues from Neurospora crassa and Gibberella zeae resulted in two new CALB mutants. Characterization of these revealed several interesting properties, including increased hydrolytic activity on simple esters, specifically substrates with C, branching on the carboxylic side, and much increased enantioselectivity in hydrolysis of racemic ethyl 2-phenylpropanoate (E>50), which is a common structure of the profen drug family. [source] Carbon Nanotube and Gold-Based Materials: A SymbiosisCHEMISTRY - A EUROPEAN JOURNAL, Issue 6 2010Rajpal Singh Dr. Abstract Carbon nanotubes constitute a novel class of nanomaterials with potential applications in many areas. The attachment of metal nanoparticles to carbon nanotubes is new way to obtain novel hybrid materials with interesting properties for various applications such as catalysts and gas sensors as well as electronic and magnetic devices. Their unique properties such as excellent electronic properties, a good chemical stability, and a large surface area make carbon nanotubes very useful as a support for gold nanoparticles in many potential applications, ranging from advanced catalytic systems through very sensitive electrochemical sensors and biosensors to highly efficient fuel cells. Here we give an overview on the recent progress in this area by exploring the various synthesis approaches and types of assemblies, in which nanotubes can be decorated with gold nanoparticles and explore the diverse applications of the resulting composites. [source] Theoretical Study on Co3+ in Aqueous Solution in Terms of ABEEM/MM ModelCHINESE JOURNAL OF CHEMISTRY, Issue 6 2007Qing-Mei Guan Abstract A detailed theoretical investigation on Co3+ hydration in aqueous solution has been carried out by means of molecular dynamics (MD) simulations based on the atom-bond electronegativity equalization method fused into molecular mechanics (ABEEM/MM). The effective Co3+ ion-water potential has been constructed by fitting to ab initio structures and binding energies for ionic clusters. And then the ion-water interaction potential was applied in combination with the ABEEM-7P water model to molecular dynamics simulations of single Co3+(aq.) solution, managing to reproduce many experimental structural and dynamical properties of the solution. Here, not only the common properties (radial distribution function, angular distribution function and solvation energy) obtained for Co3+ in ABEEM-7P water solution were in good agreement with those from the experimental methods and other molecular dynamics simulations but also very interesting properties of charge distributions, geometries of water molecules, hydrogen bond, diffusion coefficients, vibrational spectra are investigated by ABEEM/MM model. [source] Dynamic stability of the three-dimensional axisymmetric Navier-Stokes equations with swirlCOMMUNICATIONS ON PURE & APPLIED MATHEMATICS, Issue 5 2008Thomas Y. Hou In this paper, we study the dynamic stability of the three-dimensional axisymmetric Navier-Stokes Equations with swirl. To this purpose, we propose a new one-dimensional model that approximates the Navier-Stokes equations along the symmetry axis. An important property of this one-dimensional model is that one can construct from its solutions a family of exact solutions of the three-dimensionaFinal Navier-Stokes equations. The nonlinear structure of the one-dimensional model has some very interesting properties. On one hand, it can lead to tremendous dynamic growth of the solution within a short time. On the other hand, it has a surprising dynamic depletion mechanism that prevents the solution from blowing up in finite time. By exploiting this special nonlinear structure, we prove the global regularity of the three-dimensional Navier-Stokes equations for a family of initial data, whose solutions can lead to large dynamic growth, but yet have global smooth solutions. © 2007 Wiley Periodicals, Inc. [source] On properties of circuit for circuit evaluation as a parallelization procedureELECTRICAL ENGINEERING IN JAPAN, Issue 2 2008Katsuhiro Seino Abstract It is shown here that if NC = P, the NC hierarchy collapses. We give two proofs for this. From the point of view of a circuit for circuit evaluation, the assumption that NC = P implies that any polynomial size circuit can be transduced into a polynomial size and poly-log depth circuit. Such a parallelization property can be applied not only for uniform circuits but also for nonuniform circuits. This interesting property suggests that the assumption NC = P would be false. © 2007 Wiley Periodicals, Inc. Electr Eng Jpn, 162(2): 46,50, 2008; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/eej.20488 [source] A Donor,Acceptor Polymer with a Peculiar Negative-Charge-"Trapping" Characteristic,ADVANCED FUNCTIONAL MATERIALS, Issue 4 2003G. Casalbore-Miceli Abstract Voltammetric and spectrophotometric measurements of poly(3,3,-dipentoxy-3,-dicyanoethenyl-2,2,:5,,2,-terthiophene) (polyCN) films, in connection with other experimental evidence, reveal a normal oxidative, but a peculiar reductive behavior consisting of trapping of the negative charge during the cathodic scan. Another interesting property of polyCN films is the tendency to form strong intramolecular and intermolecular associations, probably charge-transfer (CT) complexes. These properties could account for the fact that the photovoltaic performance does not improve when polyCN is blended with a polythiophene donor. [source] | ||||||||||||||||||||||||||||