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Resulting Structure (resulting + structure)
Selected AbstractsThe continuous cooling transformation (CCT) as a flexible tool to investigate polymer crystallization under processing conditionsADVANCES IN POLYMER TECHNOLOGY, Issue 2 2009V. Brucato Abstract An experimental route for investigating polymer crystallization over a wide range of cooling rates (from 0.01 to 1000°C/s) and pressures (from 0.1 to 40 MPa) is illustrated, using a method that recalls the approach adopted in metallurgy for studying structure development in metals. Two types of experimental setup were used, namely an apparatus for fast cooling of thin films (100,200 ,m thick) at various cooling rates under atmospheric pressure and a device (based on a on-purpose modified injection molding machine) for quenching massive samples (about 1,2 cm3) under hydrostatic pressure fields. In both cases, ex situ characterization experiments were carried out to probe the resulting structure, using techniques such as density measurements and wide-angle x-ray diffraction (WAXD) patterns. The cooling mechanism and temperature distribution across the sample thickness were analyzed. Results show that the final structure is determined only by the imposed thermal history and pressure. Experimental results for isotactic polypropylene (iPP), poly(ethylene terephthalate) (PET), polyamide 6 (PA6), and syndiotactic polystyrene (sPS) are reported, showing the reliability of this experimental approach to assess not only quantitative information but also a qualitative description of the crystallization behavior of different classes of semicrystalline polymers. The present study gives an opportunity to evaluate how the combined effect of the cooling rate and pressure influences the crystallization kinetics for various classes of polymer of commercial interest. An increase in the cooling rate translates into a decrease in crystallinity and density, which both experience a sudden drop around the specific "crystallizability" (or "critical cooling rate") of the material examined. The exception is sPS where competition among the various crystalline modifications determines a minimum in the plot of density vs. cooling rate. As for the effect of pressure, iPP exhibits a "negative dependence" of crystallization kinetics upon pressure, with a decrease of density and degree of crystallinity with increasing pressure, owing to kinetic constraints. PA6 and PET, on the other hand, due to thermodynamic factors resulting in an increase in Tm with pressure, exhibits a "positive dependence" of crystallization kinetics upon pressure. Finally, recent original results concerning sPS have shown that the minimum in the density vs. cooling rate curve shifts toward larger cooling rates upon increasing pressure. © 2009 Wiley Periodicals, Inc. Adv Polym Techn 28:86,119, 2009; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/adv.20151 [source] Rietveld refinement of a wrong crystal structureACTA CRYSTALLOGRAPHICA SECTION B, Issue 6 2007Christian Buchsbaum Rietveld refinements are generally used to confirm crystal structures solved from powder diffraction data. If the Rietveld refinement converges with low R values and with a smooth difference curve, and the structure looks chemically sensible, the resulting structure is generally considered to be close to the correct crystal structure. Here we present a counter example: The Rietveld refinement of the X-ray powder pattern of ,-quinacridone with the crystal structure of ,-quinacridone gives quite a smooth difference curve; the resulting crystal structure looks reasonable in terms of molecular conformation, molecular packing and intermolecular hydrogen bonds. However, neither the lattice parameters, the molecular packing nor the conformation of the molecules show any similarity with the actual structure, which was determined from single-crystal data. This example shows that a successful Rietveld refinement is not always final proof of the correctness of a crystal structure; in special cases the resulting crystal structure may still be wrong. [source] l -Isoleucyl- l -asparagine 1.094-hydrate: a hybrid hydrogen-bonding patternACTA CRYSTALLOGRAPHICA SECTION C, Issue 7 2010Carl Henrik Görbitz The title compound, C10H20N3O4·1.094H2O, crystallizes with two dipeptide molecules in the asymmetric unit, each participating in two head-to-tail chains with hydrogen bonds between the terminal amino and carboxylate groups. As with many other dipeptides, the resulting structure is divided into distinct layers, but as the amide groups of the two peptide molecules participate in different types of interaction, the observed hydrogen bonds within a peptide main-chain layer (as distinct from the side-chain/solvent regions) cannot adapt to any of the four basic patterns observed previously for dipeptides. Instead, a rare hybrid pattern is formed. [source] Structures of the PKC-, kinase domain in its ATP-bound and apo forms reveal defined structures of residues 533,551 in the C-terminal tail and their roles in ATP bindingACTA CRYSTALLOGRAPHICA SECTION D, Issue 5 2010Tetsuo Takimura Protein kinase C (PKC) plays an essential role in a wide range of cellular functions. Although crystal structures of the PKC-,, PKC-, and PKC-,II kinase domains have previously been determined in complexes with small-molecule inhibitors, no structure of a PKC,substrate complex has been determined. In the previously determined PKC-, complex, residues 533,551 in the C-terminal tail were disordered. In the present study, crystal structures of the PKC-, kinase domain in its ATP-bound and apo forms were determined at 2.1 and 2.0,Å resolution, respectively. In the ATP complex, the electron density of all of the C-terminal tail residues was well defined. In the structure, the side chain of Phe543 protrudes into the ATP-binding pocket to make van der Waals interactions with the adenine moiety of ATP; this is also observed in other AGC kinase structures such as binary and ternary substrate complexes of PKA and AKT. In addition to this interaction, the newly defined residues around the turn motif make multiple hydrogen bonds to glycine-rich-loop residues. These interactions reduce the flexibility of the glycine-rich loop, which is organized for ATP binding, and the resulting structure promotes an ATP conformation that is suitable for the subsequent phosphoryl transfer. In the case of the apo form, the structure and interaction mode of the C-terminal tail of PKC-, are essentially identical to those of the ATP complex. These results indicate that the protein structure is pre-organized before substrate binding to PKC-,, which is different from the case of the prototypical AGC-branch kinase PKA. [source] Structure of human TSG101 UEV domainACTA CRYSTALLOGRAPHICA SECTION D, Issue 4 2006Pedro L. Mateo The UEV domain of the TSG101 protein functions in the vacuolar protein-sorting pathway and in the budding process of HIV-1 and other retroviruses by recognizing ubiquitin in proteins tagged for degradation and short sequences in viral proteins containing an essential and well conserved PTAP motif, respectively. A deep understanding of these interactions is key to the rational design of much-needed novel antivirals. Here, the crystal structure of the TSG101 UEV domain (TSG101-UEV) is presented. TSG101-UEV was crystallized in the presence of PEG 4000 and ammonium sulfate. Under these conditions, crystals were obtained in space group R3, with unit-cell parameters a = b = 97.9, c = 110.6,Å, , = , = 90, , = 120°. Phases were solved by molecular replacement and the crystal structure of TSG101-UEV was refined to an R factor of 18.8% at 2.2,Å resolution. A comparison between the crystal structure and previously reported NMR structures has revealed significant differences in the conformation of one of the loops implicated in ubiquitin recognition. Also, the resulting structure has provided information about the presence of water molecules at the binding interface that could be of relevance for peptide recognition. [source] Template Synthesis of Aligned Carbon Nanotube Arrays using Glucose as a Carbon Source: Pt Decoration of Inner and Outer Nanotube Surfaces for Fuel-Cell Catalysts,ADVANCED FUNCTIONAL MATERIALS, Issue 6 2008Zhenhai Wen A facile method is developed to synthesize aligned arrays of open-ended carbon nanotubes (CNTs) via in situ glucose polymerization in the inner pores of anodic aluminum oxide templates under hydrothermal conditions, followed by carbonization at high temperature. Pt nanoparticles are decorated on the surfaces of the as-prepared CNTs using the incipient wet method based on the use of NaBH4 as a reductant. Characterization of the resulting structures by transmission electron microscopy and field-emission scanning electron microscopy demonstrates that the Pt nanoparticles are anchored on both the inner and outer walls of CNTs, thus giving rise to a shell,core,shell-like nanotube composite. The electrocatalytic properties of the Pt,CNT,Pt electrodes are investigated for methanol oxidation by cyclic voltammetry and chronoamperometric measurements. It is found that the hybrid electrodes show superior catalytic performance compared to commercial carbon-black-supported Pt. The increased catalytic efficiency of Pt might be a result of the unique morphology of these structures. [source] Baroclinic development within zonally-varying flowsTHE QUARTERLY JOURNAL OF THE ROYAL METEOROLOGICAL SOCIETY, Issue 626 2007David M. Schultz Abstract Previous idealized-modelling studies have shown the importance of across-jet barotropic shear to the resulting evolution of cyclones, anticyclones, surface-based fronts, and upper-level fronts. Meanwhile, many observational studies of cyclones have shown the importance of along-jet variations in the horizontal wind speed (i.e. confluence and diffluence). This study investigates the importance of these along-jet (zonal, for zonally-oriented jets) variations in the horizontal wind speed to the resulting structures and evolutions of baroclinic waves, using idealized models of growing baroclinic waves. An idealized primitive-equation channel model is configured with growing baroclinic perturbations embedded within confluent and diffluent background flows. When the baroclinic perturbations are placed in background confluence, the lower-tropospheric frontal structure and evolution initially resemble the Shapiro,Keyser cyclone model, with a zonally-oriented cyclone, strong warm front, and bent-back warm front. Later, as the baroclinic wave is amplified in the stronger downstream baroclinicity, the warm sector of the cyclone narrows, becoming more reminiscent of the Norwegian cyclone model. The upper-level frontal structure develops with a southwest,northeast orientation, and becomes strongest at the base of the trough, where geostrophic cold advection is occurring. In contrast, when the baroclinic perturbations are placed in background diffluence, the lower-tropospheric frontal structure and evolution resemble the Norwegian cyclone model, with a meridionally-oriented cyclone, strong cold front, and occluded front. The upper-level frontal structure is initially oriented northwest,southeast on the western side of the trough, before becoming zonally oriented. Weak geostrophic temperature advection occurs along its length. These results are compared to those from previous observational and idealized-modelling studies. Copyright © 2007 Royal Meteorological Society [source] Ammine(2,2,-bipyridine-,2N,N,)silver(I) nitrate: a dimer formed by ,,, stacking and ligand-unsupported Ag...Ag interactionsACTA CRYSTALLOGRAPHICA SECTION C, Issue 3 2010Di Sun Reaction of AgNO3 and 2,2,-bipyridine (bipy) under ultrasonic treatment gave the title compound, [Ag(C10H8N2)(NH3)]NO3. The crystal structure consists of dimers formed by two symmetry-related AgI,bipy monomers connected through intra-dimer ,,, stacking and ligand-unsupported Ag...Ag interactions. A crystallographic C2 axis passes through the mid-point of and is perpendicular to the Ag...Agi(,x + 1, y, ,z + ) axis. In addition, each AgI cation is coordinated by one chelating bipy ligand and one ammine ligand, giving a trigonal coordination environment capped by the symmetry-equivalent Ag atom. Molecules are assembled by Ag...Ag, ,,,, hydrogen-bond (N,H...O and C,H...O) and weak Ag..., interactions into a three-dimensional framework. Comparing the products synthesized under different mechanical treatments, we found that reaction conditions have a significant influence on the resulting structures. The luminescence properties of the title compound are also discussed. [source] Superposed deformation in turbidites and syn-sedimentary slides of the tectonically active Miocene Waitemata Basin, northern New ZealandBASIN RESEARCH, Issue 2 2007K. B. Spörli ABSTRACT The Miocene Waitemata Basin was deposited on a moving base provided by the Northland Allochthon, which was emplaced in the Late Oligocene, as a new convergent plate boundary was established in northern New Zealand. The basin experienced complex interaction between tectonic and gravity-driven shallow deformation. Spectacular examples of the resulting structures exposed on eastern Whangaparaoa Peninsula 50 km north of Auckland provide a world-class example of weak rock deformation, the neglected domain between soft-sediment and hard rock deformation. Quartz-poor turbidite sequences display a protracted sequence of deformations: D1, synsedimentary slumping; D2, large scale deeper-seated sliding and extensional low-angle shearing, associated with generation of boudinage and broken formation; D3, thrusting and folding, indicating transport mostly to the SE; D4, thrusting and folding in the opposite direction; D5, further folding, including sinistral shear; D6, steep faults. The deformation sequence suggests continuous or intermittent southeastward transport of units with increasing sedimentary and structural burial. By phase D3, the rocks had passed from the soft-sediment state to low levels of consolidation. However, with a compressive strength of ,5 MPa they are weak rocks even today. Such weak-rock deformation must be important in other sedimentary basins, especially those associated with active convergent plate boundaries and with immature source areas for their sediments. [source] | |||||||||||||