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  • International Union of Crystallography (IUCr)
  • Blackwell Publishing Ltd
  • 2010-2014  (42)
  • 1995-1999  (35,110)
  • 1980-1984  (26,409)
  • 1925-1929
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  • 1
    Publication Date: 2014-04-08
    Description: Human carbonic anhydrases (CAs) are zinc metalloenzymes that catalyze the hydration and dehydration of CO2 and HCO3−, respectively. The reaction follows a ping-pong mechanism, in which the rate-limiting step is the transfer of a proton from the zinc-bound solvent (OH−/H2O) in/out of the active site via His64, which is widely believed to be the proton-shuttling residue. The decreased catalytic activity (∼20-fold lower with respect to the wild type) of a variant of CA II in which His64 is replaced with Ala (H64A CA II) can be enhanced by exogenous proton donors/acceptors, usually derivatives of imidazoles and pyridines, to almost the wild-type level. X-ray crystal structures of H64A CA II in complex with four imidazole derivatives (imidazole, 1-methylimidazole, 2-methylimidazole and 4-methylimidazole) have been determined and reveal multiple binding sites. Two of these imidazole binding sites have been identified that mimic the positions of the `in' and `out' rotamers of His64 in wild-type CA II, while another directly inhibits catalysis by displacing the zinc-bound solvent. The data presented here not only corroborate the importance of the imidazole side chain of His64 in proton transfer during CA catalysis, but also provide a complete structural understanding of the mechanism by which imidazoles enhance (and inhibit when used at higher concentrations) the activity of H64A CA II.
    Keywords: human carbonic anhydraseH64Aactivity enhancementrescueactivationimidazole
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
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  • 2
    Publication Date: 2014-04-08
    Description: Phosphatases function in the production, transport and recycling of inorganic phosphorus, which is crucial for cellular metabolism and bioenergetics, as well as in bacterial killing, since they are able to generate reactive oxygen species via Fenton chemistry. Diphosphonucleotide phosphatase/phosphodiesterase (PPD1), a glycoprotein plant purple acid phosphatase (PAP) from yellow lupin seeds, contains a bimetallic Fe–Mn catalytic site which is most active at acidic pH. Unlike other plant PAPs, PPD1 cleaves the pyrophosphate bond in diphosphonucleotides and the phosphodiester bond in various phosphodiesters. The homohexameric organization of PPD1, as revealed by a 1.65 Å resolution crystal structure and confirmed by solution X-ray scattering, is unique among plant PAPs, for which only homodimers have previously been reported. A phosphate anion is bound in a bidentate fashion at the active site, bridging the Fe and Mn atoms in a binding mode similar to that previously reported for sweet potato PAP, which suggests that common features occur in their catalytic mechanisms. The N-terminal domain of PPD1 has an unexpected and unique fibronectin type III-like fold that is absent in other plant PAPs. Here, the in vitro DNA-cleavage activity of PPD1 is demonstrated and it is proposed that the fibronectin III-like domain, which `overhangs' the active site, is involved in DNA selectivity, binding and activation. The degradation of DNA by PPD1 implies a role for PPD1 in plant growth and repair and in pathogen defence.
    Keywords: purple acid phosphatasediphosphonucleotide phosphatasephosphodiesterasePPD1bimetallic Fe–Mnfibronectin type III domaincrystal structureSAXS
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
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  • 3
    Publication Date: 2014-04-08
    Description: Acemetacin (ACM) is a non-steroidal anti-inflammatory drug (NSAID), which causes reduced gastric damage compared with indomethacin. However, acemetacin has a tendency to form a less soluble hydrate in the aqueous medium. We noted difficulties in the preparation of cocrystals and salts of acemetacin by mechanochemical methods, because this drug tends to form a hydrate during any kind of solution-based processing. With the objective to discover a solid form of acemetacin that is stable in the aqueous medium, binary adducts were prepared by the melt method to avoid hydration. The coformers/salt formers reported are pyridine carboxamides [nicotinamide (NAM), isonicotinamide (INA), and picolinamide (PAM)], caprolactam (CPR), p-aminobenzoic acid (PABA), and piperazine (PPZ). The structures of an ACM–INA cocrystal and a binary adduct ACM–PABA were solved using single-crystal X-ray diffraction. Other ACM cocrystals, ACM–PAM and ACM–CPR, and the piperazine salt ACM–PPZ were solved from high-resolution powder X-ray diffraction data. The ACM–INA cocrystal is sustained by the acid...pyridine heterosynthon and N—H...O catemer hydrogen bonds involving the amide group. The acid...amide heterosynthon is present in the ACM–PAM cocrystal, while ACM–CPR contains carboxamide dimers of caprolactam along with acid–carbonyl (ACM) hydrogen bonds. The cocrystals ACM–INA, ACM–PAM and ACM–CPR are three-dimensional isostructural. The carboxyl...carboxyl synthon in ACM–PABA posed difficulty in assigning the position of the H atom, which may indicate proton disorder. In terms of stability, the salts were found to be relatively stable in pH 7 buffer medium over 24 h, but the cocrystals dissociated to give ACM hydrate during the same time period. The ACM–PPZ salt and ACM–nicotinamide cocrystal dissolve five times faster than the stable hydrate form, whereas the ACM–PABA adduct has 2.5 times faster dissolution rate. The pharmaceutically acceptable piperazine salt of acemetacin exhibits superior stability, faster dissolution rate and is able to overcome the hydration tendency of the reference drug.
    Keywords: cocrystalhydratemelt crystallizationpiperazinepowder X-ray diffractionstructure determination from powder data (SDPD)
    Electronic ISSN: 2052-2525
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  • 4
    Publication Date: 2014-04-08
    Description: Crystal structure determinations of biological macromolecules are limited by the availability of sufficiently sized crystals and by the fact that crystal quality deteriorates during data collection owing to radiation damage. Exploiting a micrometre-sized X-ray beam, high-precision diffractometry and shutterless data acquisition with a pixel-array detector, a strategy for collecting data from many micrometre-sized crystals presented to an X-ray beam in a vitrified suspension is demonstrated. By combining diffraction data from 80 Trypanosoma brucei procathepsin B crystals with an average volume of 9 µm3, a complete data set to 3.0 Å resolution has been assembled. The data allowed the refinement of a structural model that is consistent with that previously obtained using free-electron laser radiation, providing mutual validation. Further improvements of the serial synchrotron crystallography technique and its combination with serial femtosecond crystallography are discussed that may allow the determination of high-resolution structures of micrometre-sized crystals.
    Keywords: protein microcrystallographyserial crystallographyin vivo grown microcrystals
    Electronic ISSN: 2052-2525
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  • 5
    Publication Date: 2014-04-08
    Description: X-ray diffraction patterns from two-dimensional (2-D) protein crystals obtained using femtosecond X-ray pulses from an X-ray free-electron laser (XFEL) are presented. To date, it has not been possible to acquire transmission X-ray diffraction patterns from individual 2-D protein crystals due to radiation damage. However, the intense and ultrafast pulses generated by an XFEL permit a new method of collecting diffraction data before the sample is destroyed. Utilizing a diffract-before-destroy approach at the Linac Coherent Light Source, Bragg diffraction was acquired to better than 8.5 Å resolution for two different 2-D protein crystal samples each less than 10 nm thick and maintained at room temperature. These proof-of-principle results show promise for structural analysis of both soluble and membrane proteins arranged as 2-D crystals without requiring cryogenic conditions or the formation of three-dimensional crystals.
    Keywords: two-dimensional protein crystalfemtosecond crystallographysingle layer X-ray diffractionmembrane protein
    Electronic ISSN: 2052-2525
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  • 6
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    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publication Date: 2014-04-08
    Keywords: biological crystallographyeditorialIUCrJ
    Electronic ISSN: 2052-2525
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  • 7
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    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publication Date: 2014-04-08
    Keywords: protein microcrystallographyserial crystallographyin vivo-grown microcrystals
    Electronic ISSN: 2052-2525
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  • 8
    Publication Date: 2014-04-08
    Description: The harmonic model of atomic nuclear motions is usually enough for multipole modelling of high-resolution X-ray diffraction data; however, in some molecular crystals, such as 1-(2′-aminophenyl)-2-methyl-4-nitro-1H-imidazole [Paul, Kubicki, Jelsch et al. (2011). Acta Cryst. B67, 365–378], it may not be sufficient for a correct description of the charge-density distribution. Multipole refinement using harmonic atom vibrations does not lead to the best electron density model in this case and the so-called `shashlik-like' pattern of positive and negative residual electron density peaks is observed in the vicinity of some atoms. This slight disorder, which cannot be modelled by split atoms, was solved using third-order anharmonic nuclear motion (ANM) parameters. Multipole refinement of the experimental high-resolution X-ray diffraction data of 1-(2′-aminophenyl)-2-methyl-4-nitro-1H-imidazole at three different temperatures (10, 35 and 70 K) and a series of powder diffraction experiments (20 ≤ T ≤ 300 K) were performed to relate this anharmonicity observed for several light atoms (N atoms of amino and nitro groups, and O atoms of nitro groups) to an isomorphic phase transition reflected by a change in the b cell parameter around 65 K. The observed disorder may result from the coexistence of domains of two phases over a large temperature range, as shown by low-temperature powder diffraction.
    Keywords: anharmonicityisomorphic phase transitionexperimental charge densityX-ray closed-circuit helium cryostatHansen–Coppens modelmultiple-temperature powder diffraction
    Electronic ISSN: 2052-2525
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  • 9
    Publication Date: 2014-04-08
    Description: The partitioning of space with Hirshfeld surfaces enables the analysis of fingerprint molecular interactions in crystalline environments. This study uses the decomposition of the crystal contact surface between pairs of interacting chemical species to derive an enrichment ratio. This quantity enables the analysis of the propensity of chemical species to form intermolecular interactions with themselves and other species. The enrichment ratio is obtained by comparing the actual contacts in the crystal with those computed as if all types of contacts had the same probability to form. The enrichments and contact tendencies were analyzed in several families of compounds, based on chemical composition and aromatic character. As expected, the polar contacts of the type H...N, H...O and H...S, which are generally hydrogen bonds, show enrichment values larger than unity. O...O and N...N contacts are impoverished while H...H interactions display enrichment ratios which are generally close to unity or slightly lower. In aromatic compounds, C...C contacts can display large enrichment ratios due to extensive π...π stacking in the crystal packings of heterocyclic compounds. C...C contacts are, however, less enriched in pure (C,H) hydrocarbons as π...π stacking is not so favourable from the electrostatic point of view compared with heterocycles. C...H contacts are favoured in (C,H) aromatics, but these interactions occur less in compounds containing O, N or S as some H atoms are then involved in hydrogen bonds. The study also highlights the fact that hydrogen is a prefered interaction partner for fluorine.
    Keywords: enrichment ratioHirshfeld surface analysiscrystal packingfingerprint plots
    Electronic ISSN: 2052-2525
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  • 10
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    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publication Date: 2014-11-12
    Keywords: Editorialchemical crystallographycrystal engineering
    Electronic ISSN: 2052-2525
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  • 11
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    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publication Date: 2014-11-12
    Description: The crystallographic structure solution of nucleotides and nucleotide complexes is now commonplace. The resulting electron-density maps are often poorer than for proteins, and as a result interpretation in terms of an atomic model can require significant effort, particularly in the case of large structures. While model building can be performed automatically, as with proteins, the process is time-consuming, taking minutes to days depending on the software and the size of the structure. A method is presented for the automatic building of nucleotide chains into electron density which is fast enough to be used in interactive model-building software, with extended chain fragments built around the current view position in a fraction of a second. The speed of the method arises from the determination of the `fingerprint' of the sugar and phosphate groups in terms of conserved high-density and low-density features, coupled with a highly efficient scoring algorithm. Use cases include the rapid evaluation of an initial electron-density map, addition of nucleotide fragments to prebuilt protein structures, and in favourable cases the completion of the structure while automated model-building software is still running. The method has been incorporated into the Coot software package.
    Keywords: nucleic acid chain tracingCoot
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  • 12
    Publication Date: 2014-11-12
    Description: Accurate structural models of reaction centres in zeolite catalysts are a prerequisite for mechanistic studies and further improvements to the catalytic performance. The Rietveld/maximum entropy method is applied to synchrotron powder X-ray diffraction data on fully dehydrated CHA-type zeolites with and without loading of catalytically active Cu2+ for the selective catalytic reduction of NOx with NH3. The method identifies the known Cu2+ sites in the six-membered ring and a not previously observed site in the eight-membered ring. The sum of the refined Cu occupancies for these two sites matches the chemical analysis and thus all the Cu is accounted for. It is furthermore shown that approximately 80% of the Cu2+ is located in the new 8-ring site for an industrially relevant CHA zeolite with Si/Al = 15.5 and Cu/Al = 0.45. Density functional theory calculations are used to corroborate the positions and identity of the two Cu sites, leading to the most complete structural description of dehydrated silicoaluminate CHA loaded with catalytically active Cu2+ cations.
    Keywords: CHA zeolitescatalytic activitylocation of Cu2+synchrotron powder X-ray diffractionRietveld/maximum entropy method
    Electronic ISSN: 2052-2525
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  • 13
    Publication Date: 2014-11-12
    Description: Crystallographic auto-indexing algorithms provide crystal orientations and unit-cell parameters and assign Miller indices based on the geometric relations between the Bragg peaks observed in diffraction patterns. However, if the Bravais symmetry is higher than the space-group symmetry, there will be multiple indexing options that are geometrically equivalent, and hence many ways to merge diffraction intensities from protein nanocrystals. Structure factor magnitudes from full reflections are required to resolve this ambiguity but only partial reflections are available from each XFEL shot, which must be merged to obtain full reflections from these `stills'. To resolve this chicken-and-egg problem, an expectation maximization algorithm is described that iteratively constructs a model from the intensities recorded in the diffraction patterns as the indexing ambiguity is being resolved. The reconstructed model is then used to guide the resolution of the indexing ambiguity as feedback for the next iteration. Using both simulated and experimental data collected at an X-ray laser for photosystem I in the P63 space group (which supports a merohedral twinning indexing ambiguity), the method is validated.
    Keywords: indexing ambiguityserial femtosecond crystallography (SFX)XFELsprotein crystallographyexpectation maximization algorithm
    Electronic ISSN: 2052-2525
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  • 14
    Publication Date: 2014-11-12
    Description: The time evolution of the electron density and the resulting time dependence of Fourier components of the X-ray polarizability of a crystal irradiated by highly intense femtosecond pulses of an X-ray free-electron laser (XFEL) is investigated theoretically on the basis of rate equations for bound electrons and the Boltzmann equation for the kinetics of the unbound electron gas. The photoionization, Auger process, electron-impact ionization, electron–electron scattering and three-body recombination have been implemented in the system of rate equations. An algorithm for the numerical solution of the rate equations was simplified by incorporating analytical expressions for the cross sections of all the electron configurations in ions within the framework of the effective charge model. Using this approach, the time dependence of the inner shell populations during the time of XFEL pulse propagation through the crystal was evaluated for photon energies between 4 and 12 keV and a pulse width of 40 fs considering a flux of 1012 photons pulse−1 (focusing on a spot size of ∼1 µm). This flux corresponds to a fluence ranging between 0.8 and 2.4 mJ µm−2. The time evolution of the X-ray polarizability caused by the change of the atomic scattering factor during the pulse propagation is numerically analyzed for the case of a silicon crystal. The time-integrated polarizability drops dramatically if the fluence of the X-ray pulse exceeds 1.6 mJ µm−2.
    Keywords: femtosecond pulseX-ray diffractionpolarizabilityelectron densityrate equations
    Electronic ISSN: 2052-2525
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  • 15
    Publication Date: 2014-11-12
    Description: Melting of native tapioca starch granules in aqueous pastes upon heating is observed in situ using simultaneous small- and wide-angle X-ray scattering (SAXS/WAXS) and solution viscometry. Correlated structure and viscosity changes suggest closely associated amylose and amylopectin chains in the semicrystalline layers, and the release of amylose chains for enhanced solution viscosity occurs largely after melting of the semicrystalline structure. Before melting, WAXS results reveal mixed crystals of A- and B-types (∼4:1 by weight), whereas SAXS results indicate that the semicrystalline layers are composed of lamellar blocklets of ca 43 nm domain size, with polydisperse crystalline (≃7.5 nm) and amorphous (≃1.1 nm) layers alternatively assembled into a lamellar spacing of ≃8.6 nm with 20% polydispersity. Upon melting, the semicrystalline lamellae disintegrate into disperse and molten amylopectin nanoclusters with dissolved and partially untangled amylose chains in the aqueous matrix which leads to increased solution viscosity. During subsequent cooling, gelation starts at around 347 K; successively increased solution viscosity coincides with the development of nanocluster aggregation to a fractal dimension ≃2.3 at 303 K, signifying increasing intercluster association through collapsed amylose chains owing to decreased solvency of the aqueous medium with decreasing temperature.
    Keywords: tapioca starch granulesgelatinizationgelationSAXS/WAXSviscosity
    Electronic ISSN: 2052-2525
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  • 16
    Publication Date: 2014-11-12
    Description: Molecular self-assembly of nylon-12 rods in self-organized nanoporous alumina cylinders with two different diameters (65 and 300 nm) is studied with transmission electron microscopy (TEM) and wide-angle X-ray diffraction (WAXD) in symmetrical reflection mode. In a rod with a 300 nm diameter, the tendency of the hydrogen-bonding direction of a γ-form crystal parallel to the long axis of the rod is not clear because of weak two-dimensional confinement. In a rod with a diameter of 65 nm, the tendency of the hydrogen-bonding direction of a γ-form crystal parallel to the long axis of the rod is more distinct because of strong two-dimensional confinement. For the first time, selected-area electron diffraction (SAED) is applied in a transmission electron microscope to a polymer nanorod in order to determine the hydrogen-bond sheet and lamellar orientations. Results of TEM–SAED and WAXD showed that the crystals within the rod possess the γ-form of nylon-12 and that the b axis (stem axis) of the γ-form crystals is perpendicular to the long axis of the rod. These results revealed that only lamellae with 〈h0l〉 directions are able to grow inside the nanopores and the growth of lamellae with 〈hkl〉 (k ≠ 0) directions is stopped owing to impingements against the cylinder walls. The dominant crystal growth direction of the 65 nm rod in stronger two-dimensional confinement is in between the [−201] and [001] directions due to the development of a hydrogen-bonded sheet restricted along the long axis of the rod.
    Keywords: molecular self-assemblynanorodsselected-area electron diffractioncylindrical confinement
    Electronic ISSN: 2052-2525
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  • 17
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    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publication Date: 2014-11-12
    Description: For more than 30 years X-ray crystallography has been by far the most powerful approach for determining the structures of viruses and viral proteins at atomic resolution. The information provided by these structures, which covers many important aspects of the viral life cycle such as cell-receptor recognition, viral entry, nucleic acid transfer and genome replication, has extensively enriched our vision of the virus world. Many of the structures available correspond to potential targets for antiviral drugs against important human pathogens. This article provides an overview of the current knowledge of different structural aspects of the above-mentioned processes.
    Keywords: bacteriophagesgenome deliveryfusion proteinsRNA-dependent RNA polymerasesviral proteasesviral receptorsviruses
    Electronic ISSN: 2052-2525
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  • 18
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    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publication Date: 2014-11-12
    Description: This article reviews efforts in accurate experimental charge-density studies with relevance to medicinal chemistry. Initially, classical charge-density studies that measure electron density distribution via least-squares refinement of aspherical-atom population parameters are summarized. Next, interaction density is discussed as an idealized situation resembling drug–receptor interactions. Scattering-factor databases play an increasing role in charge-density research, and they can be applied both to small-molecule and macromolecular structures in refinement and analysis; software development facilitates their use. Therefore combining both of these complementary branches of X-ray crystallography is recommended, and examples are given where such a combination already proved useful. On the side of the experiment, new pixel detectors are allowing rapid measurements, thereby enabling both high-throughput small-molecule studies and macromolecular structure determination to higher resolutions. Currently, the most ambitious studies compute intermolecular interaction energies of drug–receptor complexes, and it is recommended that future studies benefit from recent method developments. Selected new developments in theoretical charge-density studies are discussed with emphasis on its symbiotic relation to crystallography.
    Keywords: charge-density researchmedicinal chemistrydrug designinvariomHansen–Coppens multipole modelquantum theory of atoms in molecules
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  • 19
    Publication Date: 2014-11-12
    Description: Metastable phases are often used to design materials with outstanding properties, which cannot be achieved with thermodynamically stable compounds. In many cases, the metastable phases are employed as precursors for controlled formation of nanocomposites. This contribution shows how the microstructure of crystalline metastable phases and the formation of nanocomposites can be concluded from X-ray diffraction experiments by taking advantage of the high sensitivity of X-ray diffraction to macroscopic and microscopic lattice deformations and to the dependence of the lattice deformations on the crystallographic direction. The lattice deformations were determined from the positions and from the widths of the diffraction lines, the dependence of the lattice deformations on the crystallographic direction from the anisotropy of the line shift and the line broadening. As an example of the metastable system, the supersaturated solid solution of titanium nitride and aluminium nitride was investigated, which was prepared in the form of thin films by using cathodic arc evaporation of titanium and aluminium in a nitrogen atmosphere. The microstructure of the (Ti,Al)N samples under study was tailored by modifying the [Al]/[Ti] ratio in the thin films and the surface mobility of the deposited species.
    Keywords: metastable thin filmsmicrostructureX-ray diffraction
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  • 20
    Publication Date: 2014-11-12
    Description: Human transthyretin has an intrinsic tendency to form amyloid fibrils and is heavily implicated in senile systemic amyloidosis. Here, detailed neutron structural studies of perdeuterated transthyretin are described. The analyses, which fully exploit the enhanced visibility of isotopically replaced hydrogen atoms, yield new information on the stability of the protein and the possible mechanisms of amyloid formation. Residue Ser117 may play a pivotal role in that a single water molecule is closely associated with the γ-hydrogen atoms in one of the binding pockets, and could be important in determining which of the two sites is available to the substrate. The hydrogen-bond network at the monomer–monomer interface is more extensive than that at the dimer–dimer interface. Additionally, the edge strands of the primary dimer are seen to be favourable for continuation of the β-sheet and the formation of an extended cross-β structure through sequential dimer couplings. It is argued that the precursor to fibril formation is the dimeric form of the protein.
    Keywords: transthyretinamyloid assemblyneutron crystallographydeuteration
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  • 21
    Publication Date: 2014-11-12
    Description: The Mars Science Laboratory landed in Gale crater on Mars in August 2012, and the Curiosity rover then began field studies on its drive toward Mount Sharp, a central peak made of ancient sediments. CheMin is one of ten instruments on or inside the rover, all designed to provide detailed information on the rocks, soils and atmosphere in this region. CheMin is a miniaturized X-ray diffraction/X-ray fluorescence (XRD/XRF) instrument that uses transmission geometry with an energy-discriminating CCD detector. CheMin uses onboard standards for XRD and XRF calibration, and beryl:quartz mixtures constitute the primary XRD standards. Four samples have been analysed by CheMin, namely a soil sample, two samples drilled from mudstones and a sample drilled from a sandstone. Rietveld and full-pattern analysis of the XRD data reveal a complex mineralogy, with contributions from parent igneous rocks, amorphous components and several minerals relating to aqueous alteration. In particular, the mudstone samples all contain one or more phyllosilicates consistent with alteration in liquid water. In addition to quantitative mineralogy, Rietveld refinements also provide unit-cell parameters for the major phases, which can be used to infer the chemical compositions of individual minerals and, by difference, the composition of the amorphous component.
    Keywords: X-ray diffractionMarsextraterrestrial mineralogyCuriosity rover
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  • 22
    Publication Date: 2014-11-12
    Description: Small- and wide-angle X-ray scattering (SAXS, WAXS) are standard tools in materials research. The simultaneous measurement of SAXS and WAXS data in time-resolved studies has gained popularity due to the complementary information obtained. Furthermore, the combination of these data with non X-ray based techniques, via either simultaneous or independent measurements, has advanced understanding of the driving forces that lead to the structures and morphologies of materials, which in turn give rise to their properties. The simultaneous measurement of different data regimes and types, using either X-rays or neutrons, and the desire to control parameters that initiate and control structural changes have led to greater demands on sample environments. Examples of developments in technique combinations and sample environment design are discussed, together with a brief speculation about promising future developments.
    Keywords: SAXSWAXSSANScomplementary techniquessample environment
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  • 23
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    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publication Date: 2014-11-12
    Description: Membranes are amongst the most important biological structures; they maintain the fundamental integrity of cells, compartmentalize regions within them and play an active role in a wide range of cellular processes. Pressure can play a key role in probing the structure and dynamics of membrane assemblies, and is also critical to the biology and adaptation of deep-sea organisms. This article presents an overview of the effect of pressure on the mesostructure of lipid membranes, bilayer organization and lipid–protein assemblies. It also summarizes recent developments in high-pressure structural instrumentation suitable for experiments on membranes.
    Keywords: biological membraneslipidsbilayerslipid–protein assemblieshigh-pressure studies
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  • 24
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    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publication Date: 2014-11-12
    Description: Most properties of nanocrystalline materials are shape-dependent, providing their exquisite tunability in optical, mechanical, electronic and catalytic properties. An example of the former is localized surface plasmon resonance (LSPR), the coherent oscillation of conduction electrons in metals that can be excited by the electric field of light; this resonance frequency is highly dependent on both the size and shape of a nanocrystal. An example of the latter is the marked difference in catalytic activity observed for different Pd nanoparticles. Such examples highlight the importance of particle shape in nanocrystalline materials and their practical applications. However, one may ask `how are nanoshapes created?', `how does the shape relate to the atomic packing and crystallography of the material?', `how can we control and characterize the external shape and crystal structure of such small nanocrystals?'. This feature article aims to give the reader an overview of important techniques, concepts and recent advances related to these questions. Nucleation, growth and how seed crystallography influences the final synthesis product are discussed, followed by shape prediction models based on seed crystallography and thermodynamic or kinetic parameters. The crystallographic implications of epitaxy and orientation in multilayered, core-shell nanoparticles are overviewed, and, finally, the development and implications of novel, spatially resolved analysis tools are discussed.
    Keywords: nanocrystalline materialsplasmonicsshape prediction models
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  • 25
    Publication Date: 2014-11-12
    Description: Membrane fusion is essential for human health, playing a vital role in processes as diverse as neurotransmission and blood glucose control. Two protein families are key: (1) the Sec1p/Munc18 (SM) and (2) the soluble N-ethylmaleimide-sensitive attachment protein receptor (SNARE) proteins. Whilst the essential nature of these proteins is irrefutable, their exact regulatory roles in membrane fusion remain controversial. In particular, whether SM proteins promote and/or inhibit the SNARE-complex formation required for membrane fusion is not resolved. Crystal structures of SM proteins alone and in complex with their cognate SNARE proteins have provided some insight, however, these structures lack the transmembrane spanning regions of the SNARE proteins and may not accurately reflect the native state. Here, we review the literature surrounding the regulatory role of mammalian Munc18 SM proteins required for exocytosis in eukaryotes. Our analysis suggests that the conflicting roles reported for these SM proteins may reflect differences in experimental design. SNARE proteins appear to require C-terminal immobilization or anchoring, for example through a transmembrane domain, to form a functional fusion complex in the presence of Munc18 proteins.
    Keywords: SM proteinsSNARE proteinssyntaxinMunc18membrane trafficking
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
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  • 26
    facet.materialart.
    Unknown
    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publication Date: 2014-11-12
    Description: The biological solution small-angle X-ray scattering (BioSAXS) field has undergone tremendous development over recent decades. This means that increasingly complex biological questions can be addressed by the method. An intricate synergy between advances in hardware and software development, data collection and evaluation strategies and implementations that readily allow integration with complementary techniques result in significant results and a rapidly growing user community with ever increasing ambitions. Here, a review of these developments, by including a selection of novel BioSAXS methodologies and recent results, is given.
    Keywords: biological solution small-angle X-ray scattering (BioSAXS)synchrotron radiationbeamlinesstructural complexitybiostructural research
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
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  • 27
    facet.materialart.
    Unknown
    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publication Date: 2014-11-12
    Description: The study of single-crystal diffuse scattering (SCDS) goes back almost to the beginnings of X-ray crystallography. Because SCDS arises from two-body correlations, it contains information about local (short-range) ordering in the sample, information which is often crucial in the attempt to relate structure to function. This review discusses the state of the field, including detectors and data collection and the modelling of SCDS using Monte Carlo and ab initio techniques. High-quality, three-dimensional volumes of SCDS data can now be collected at synchrotron light sources, allowing ever more detailed and quantitative analyses to be undertaken, and opening the way to approaches such as three-dimensional pair distribution function studies (3D-PDF) and automated refinement of a disorder model, powerful techniques that require large volumes of low-noise data.
    Keywords: single-crystal diffuse scatteringdisordersynchrotron light sources
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
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  • 28
    facet.materialart.
    Unknown
    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publication Date: 2014-11-12
    Description: The smart specialization declared in the European program Horizon 2020, and the increasing cooperation between research and development found in companies and researchers at universities and research institutions have created a new paradigm where many calls for proposals require participation and funding from public and private entities. This has created a unique opportunity for large-scale facilities, such as synchrotron research laboratories, to participate in and support applied research programs. Scientific staff at synchrotron facilities have developed many advanced tools that make optimal use of the characteristics of the light generated by the storage ring. These tools have been exceptionally valuable for materials characterization including X-ray absorption spectroscopy, diffraction, tomography and scattering, and have been key in solving many research and development issues. Progress in optics and detectors, as well as a large effort put into the improvement of data analysis codes, have resulted in the development of reliable and reproducible procedures for materials characterization. Research with photons has contributed to the development of a wide variety of products such as plastics, cosmetics, chemicals, building materials, packaging materials and pharma. In this review, a few examples are highlighted of successful cooperation leading to solutions of a variety of industrial technological problems which have been exploited by industry including lessons learned from the Science Link project, supported by the European Commission, as a new approach to increase the number of commercial users at large-scale research infrastructures.
    Keywords: X-ray techniquesindustryinnovation
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
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  • 29
    Publication Date: 2014-11-12
    Description: Iron(II) and 2-oxoglutarate (2OG)-dependent dioxygenases involved in histone and DNA/RNA demethylation convert the cosubstrate 2OG and oxygen to succinate and carbon dioxide, resulting in hydroxylation of the methyl group of the substrates and subsequent demethylation. Recent evidence has shown that these 2OG dioxygenases play vital roles in a variety of biological processes, including transcriptional regulation and gene expression. In this review, the structure and function of these dioxygenases in histone and nucleic acid demethylation will be discussed. Given the important roles of these 2OG dioxygenases, detailed analysis and comparison of the 2OG dioxygenases will guide the design of target-specific small-molecule chemical probes and inhibitors.
    Keywords: dioxygenaseshistone demethylationDNA/RNA demethylationN6-methyladenosineALKBH5
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
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  • 30
    facet.materialart.
    Unknown
    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publication Date: 2014-11-12
    Description: Worldwide research activity at the nanoscale is triggering the appearance of new, and frequently surprising, materials properties in which the increasing importance of surface and interface effects plays a fundamental role. This opens further possibilities in the development of new multifunctional materials with tuned physical properties that do not arise together at the bulk scale. Unfortunately, the standard methods currently available for solving the atomic structure of bulk crystals fail for nanomaterials due to nanoscale effects (very small crystallite sizes, large surface-to-volume ratio, near-surface relaxation, local lattice distortions etc.). As a consequence, a critical reexamination of the available local-structure characterization methods is needed. This work discusses the real possibilities and limits of X-ray absorption spectroscopy (XAS) analysis at the nanoscale. To this end, the present state of the art for the interpretation of extended X-ray absorption fine structure (EXAFS) is described, including an advanced approach based on the use of classical molecular dynamics and its application to nickel oxide nanoparticles. The limits and possibilities of X-ray absorption near-edge spectroscopy (XANES) to determine several effects associated with the nanocrystalline nature of materials are discussed in connection with the development of ZnO-based dilute magnetic semiconductors (DMSs) and iron oxide nanoparticles.
    Keywords: EXAFSXANESoxide nanomaterialsnanocrystalline materials
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
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  • 31
    facet.materialart.
    Unknown
    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publication Date: 2014-11-12
    Description: The community of material scientists is strongly committed to the research area of multiferroic materials, both for the understanding of the complex mechanisms supporting the multiferroism and for the fabrication of new compounds, potentially suitable for technological applications. The use of high pressure is a powerful tool in synthesizing new multiferroic, in particular magneto-electric phases, where the pressure stabilization of otherwise unstable perovskite-based structural distortions may lead to promising novel metastable compounds. The in situ investigation of the high-pressure behavior of multiferroic materials has provided insight into the complex interplay between magnetic and electronic properties and the coupling to structural instabilities.
    Keywords: high pressuremultiferroicsmaterials science
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
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  • 32
    facet.materialart.
    Unknown
    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publication Date: 2014-11-12
    Description: Metal–organic frameworks (MOFs) are one of the most intensely studied material types in recent times. Their networks, resulting from the formation of strong bonds between inorganic and organic building units, offer unparalled chemical diversity and pore environments of growing complexity. Therefore, advances in single-crystal X-ray diffraction equipment and techniques are required to characterize materials with increasingly larger surface areas, and more complex linkers. In addition, whilst structure solution from powder diffraction data is possible, the area is much less populated and we detail the current efforts going on here. We also review the growing number of reports on diffraction under non-ambient conditions, including the response of MOF structures to very high pressures. Such experiments are important due to the expected presence of stresses in proposed applications of MOFs – evidence suggesting rich and complex behaviour. Given the entwined and inseparable nature of their structure, properties and applications, it is essential that the field of structural elucidation is able to continue growing and advancing, so as not to provide a rate-limiting step on characterization of their properties and incorporation into devices and applications. This review has been prepared with this in mind.
    Keywords: MOFsnon-ambient crystallographycrystal growth
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
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  • 33
    Publication Date: 2017-04-04
    Description: Despite the advance in our understanding of the carbon exchange between terrestrial ecosystems and the atmosphere, semiarid ecosystems have been poorly investigated and little is known about their role in the global carbon balance. We used eddy covariance measurements to determine the exchange of CO2 between a semiarid steppe and the atmosphere over 3 years. The vegetation is a perennial grassland of Stipa tenacissima L. located in the SE of Spain. We examined diurnal, seasonal and interannual variations in the net ecosystem carbon balance (NECB) in relation to biophysical variables. Cumulative NECB was a net source of 65.7, 143.6 and 92.1 g C mˉ2 yrˉ1 for the 3 years studied, respectively. We separated the year into two distinctive periods: dry period and growing season. The ecosystem was a net source of CO2 to the atmosphere, particularly during the dry period when large CO2 positive fluxes of up to 15 μmol mˉ2 sˉ1 were observed in concomitance with large wind speeds. Over the growing season, the ecosystem was a slight sink or neutral with maximum rates of -2.3 μmol mˉ2 sˉ1. Rainfall events caused large fluxes of CO2 to the atmosphere and determined the length of the growing season. In this season, photosynthetic photon flux density controlled day-time NECB just below 1000 μmol mˉ2 sˉ1. The analyses of the diurnal and seasonal data and preliminary geological and gas-geochemical evaluations, including C isotopic analyses, suggest that the CO2 released was not only biogenic but most likely included a component of geothermal origin, presumably related to deep fluids occurring in the area. These results highlight the importance of considering geological carbon sources, as well as the need to carefully interpret the results of eddy covariance partitioning techniques when applied in geologically active areas potentially affected by CO2-rich geofluid circulation.
    Description: Published
    Description: 539–554
    Description: 4.5. Studi sul degassamento naturale e sui gas petroliferi
    Description: JCR Journal
    Description: reserved
    Keywords: alpha grass ; carbon sequestration ; ecosystem respiration ; eddy covariance ; geogas ; geothermal activity ; grasslands ; net ecosystem carbon balance ; 04. Solid Earth::04.04. Geology::04.04.12. Fluid Geochemistry
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 34
    Publication Date: 2017-04-04
    Description: We present an improved evaluation of the current strain and stress fields in Southern Apennines (Italy) obtained through a careful analysis of geodetic, seismological and borehole data. In particular, our analysis provides an updated comparison between the accrued strain recorded by geodetic data, and the strain released by seismic activity in a region hit by destructive historical earthquakes. To this end, we have used 9 years of GPS observations (2001-2010) from a dense network of permanent stations, a dataset of 73 well constrained stress indicators (borehole breakouts and focal mechanisms of moderate to large earthquakes), and published estimations of the geological strain accommodated by active faults in the region. Although geodetic data are generally consistent with seismic and geologic information, previously unknown features of the current deformation in southern Italy emerge from this analysis. The newly obtained GPS velocity field supports the well-established notion of a dominant NE-SW-oriented extension concentrated in a ~50 km wide belt along the topographic relief of the Apennines, as outlined by the distribution of seismogenic normal faults. Geodetic deformation is, however, non uniform along the belt, with two patches of higher strain-rate and shear stress accumulation in the north (Matese Mountains) and in the south (Irpinia area). Low geodetic strain-rates are found in the Bradano basin and Apulia plateau to the east. Along the Ionian Sea margin of southern Italy, in southern Apulia and eastern Basilicata and Calabria, geodetic velocities indicate NW-SE extension which is consistent with active shallow-crustal gravitational motion documented by geological studies. In the west, along the Tyrrhenian margin of the Campania region, the tectonic geodetic field is disturbed by volcanic processes. Comparison between the magnitude of the geodetic and the seismic strain-rates (computed using a long historical seismicity catalogue) allow detecting areas of high correlation, particularly along the axis of the mountain chain, indicating that most of the geodetic strain is released by earthquakes. This relation does not hold for the instrumental seismic catalogue, as a consequence of the limited time span covered by instrumental data. In other areas (e.g. Murge plateau in central Apulia), where seismicity is very low or absent, the yet appreciable geodetic deformation might be accommodated in aseismic mode. Overall, the excellent match between the stress and the strain-rate directions in much of the Apennines indicates that both earthquakes and ground deformation patterns are driven by the same crustal forces.
    Description: Published
    Description: 1270-1282
    Description: 3.2. Tettonica attiva
    Description: JCR Journal
    Description: restricted
    Keywords: Satellite geodesy ; Plate motions ; Neotectonics ; Europe ; Apennines ; 04. Solid Earth::04.03. Geodesy::04.03.01. Crustal deformations
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 35
    Publication Date: 2017-04-04
    Description: Several volcanoes worldwide have shown changes in their stress state as a consequence of the deformation produced by the pressurization of a magmatic body. This study investigates seismic swarms occurring on the western flank of Mt. Etna in January 1997 - January 1998. Integrating seismic observations and geodetic data, we constrained the seismogenic fault system, and on the basis of stress tensor inversion and SHMAX analyses, we infer an inflating pressure source located at 5.5 km b.s.l. beneath the west portion of summit area. Evaluation of Coulomb failure stress (CFS) related to the proposed model, showed how a large part of the seismogenic fault underwent a significant CFS increase (500 kPa). We infer the presence of a sub-vertical faulted region, potentially weak, N50°E oriented beneath the western sector of Mt. Etna. This structure could be brought closer to failure thereby generating seismic swarms as the effect of elastic stress transfer induced by movement and/or overpressure of magmatic masses within the upper crust under the volcano.
    Description: This research was funded by the INGV–DPC 2007–2009 Agreement (Project V4_Flank).
    Description: Published
    Description: 339-348
    Description: 1.4. TTC - Sorveglianza sismologica delle aree vulcaniche attive
    Description: JCR Journal
    Description: restricted
    Keywords: Etna ; modelling ; Seismicity ; GPS monitoring ; 04. Solid Earth::04.08. Volcanology::04.08.06. Volcano monitoring
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 36
    Publication Date: 2020-02-24
    Description: An earthquake of Mw=6.3 struck L’Aquila town (central Italy) on April 6, 2009 rupturing an approximately 18 km long SW-dipping normal fault. The aftershock area extended for a length of more than 35 km and included major aftershocks on April 7 and 9, and thousands of minor events. Surface faulting occurred along the SW-dipping Paganica fault with a continuous extent of ~2.5 km. Ruptures consist of open cracks and vertical dislocations or warps (0.1 maximum throw) with an orientation of N130°-N140°. Small triggered slip and shaking effects also took place along nearby synthetic and antithetic normal faults. The observed limited extent, and small surface displacement, of the Paganica ruptures with respect to the height of the fault scarps and vertical throws of paleoearthquakes along faults in the area, puts the faulting associated with the L’Aquila earthquake in perspective with respect to the maximum expected magnitude, and the regional seismic hazard.
    Description: In press
    Description: 3.2. Tettonica attiva
    Description: JCR Journal
    Description: open
    Keywords: 2009 L’Aquila seismic sequence ; co-seismic surface effects ; earthquake geology ; normal faulting earthquake ; Abruzzi, central Apennines ; 04. Solid Earth::04.04. Geology::04.04.01. Earthquake geology and paleoseismology
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 37
    Publication Date: 2017-04-04
    Description: Methane soil flux measurements have been made in 38 sites at the geothermal system of Sousaki (Greece) with the closed chamber method. Fluxes range from –47.6 to 29,150 mg m-2 d-1 and the diffuse CH4 output of the system has been estimated at 19 t a-1. Contemporaneous CO2 flux measurements showed a moderate positive correlation between CO2 and CH4 fluxes. Comparison of the CO2/CH4 soil flux ratios with the CO2/CH4 ratio of the gases of the main gas manifestations provided evidence for methanotrophic activity within the soil. Laboratory CH4 consumption experiments confirmed the presence of methanotrophic microorganisms in soil samples collected at Sousaki. Consumption was generally in the range from –4.9 to –38.9 pmolCH4 h-1 g-1 but could sometimes reach extremely high values (–33,000 pmolCH4 h-1 g-1.). These results are consistent with recent studies on other geothermal systems that revealed the existence of thermoacidophilic bacteria exerting methanotrophic activity in hot, acid soils, thereby reducing methane emissions to the atmosphere.
    Description: Published
    Description: 97–107
    Description: 4.5. Studi sul degassamento naturale e sui gas petroliferi
    Description: JCR Journal
    Description: reserved
    Keywords: Sousaki ; accumulation chamber ; soil degassing ; hydrothermal systems ; methane output ; methanotrophic activity ; 01. Atmosphere::01.01. Atmosphere::01.01.07. Volcanic effects ; 04. Solid Earth::04.04. Geology::04.04.12. Fluid Geochemistry ; 04. Solid Earth::04.08. Volcanology::04.08.01. Gases
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 38
    facet.materialart.
    Unknown
    Blackwell Publishing Ltd
    Publication Date: 2017-04-04
    Description: We present a new crustal model for the European plate, derived from collection and critical integration of information selected from the literature. The model covers the whole European plate from North Africa to the North Pole (20N - 90N) and from the Mid-Atlantic Ridge to the Urals (40W - 70E). The chosen parameterization represents the crust in three layers (sediments, upper crust and lower crust), and describes the 3D geometry of the interfaces and seismologically-relevant parameters — isotropic P- and S-wave velocity, plus density — with a resolution of 0.5 × 0.5 degrees on a geographical latitude-longitude grid. We selected global and local models, derived from geological assumptions, active seismic experiments, surface-wave studies, noise correlation, receiver functions. Model EPcrust presents significant advantages with respect to previous models: it covers the whole European plate; it is a complete and internally-consistent model (with all the parameters provided, also for the sedimentary layer); it is reproducible; it is easy to update in the future by adding new contributions; and it is available in a convenient digital format. EPcrust could be used to account for crustal structure in seismic wave propagation modeling at continental scale or to compute linearized crustal corrections in continental-scale seismic tomography, gravity studies, dynamic topography and other applications that require a reliable crustal structure. Because of its resolution, our model is not suited for local-scale studies, such as the computation of earthquake scenarios, where more detailed knowledge of the structure is required. We plan to update the model as new data will become available, and possibly improve its resolution for selected areas in the future.
    Description: Published
    Description: 352-364
    Description: 3.3. Geodinamica e struttura dell'interno della Terra
    Description: JCR Journal
    Description: reserved
    Keywords: Europe ; crust ; crustal properties ; Moho ; 04. Solid Earth::04.01. Earth Interior::04.01.99. General or miscellaneous ; 04. Solid Earth::04.01. Earth Interior::04.01.01. Composition and state
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 39
    Publication Date: 2020-02-24
    Description: An earthquake of Mw = 6.3 struck L Aquila town (central Italy) on 6 April 2009 rupturing an ~18-km-long SW-dipping normal fault. The aftershock area extended for a length of more than 35 km and included major aftershocks on 7 and 9 April and thousands of minor events. Surface faulting occurred along the SW-dipping Paganica fault with a continuous extent of ~2.5 km. Ruptures consist of open cracks and vertical dislocations or warps (0.1m maximum throw) with an orientation of N130°–140°. Small triggered slip and shaking effects also took place along nearby synthetic and antithetic normal faults. The observed limited extent and small surface displacement of the Paganica ruptures with respect to the height of the fault scarps and vertical throws of palaeo-earthquakes along faults in the area put the faulting associated with the L' Aquila earthquake in perspective with respect to the maximum expected magnitude and the regional seismic hazard.
    Description: Published
    Description: 43-51
    Description: 3.2. Tettonica attiva
    Description: JCR Journal
    Description: reserved
    Keywords: surface faulting from moderate earthquake ; coseismic effects ; L'Aquila earthquake ; cemtral Italy ; 04. Solid Earth::04.04. Geology::04.04.01. Earthquake geology and paleoseismology
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 40
    Publication Date: 2017-04-04
    Description: This thematic issue of Geofluids includes 11 papers representing the three main topics discussed in the 10th edition of the International Conference on Gas Geochemistry (ICGG-10): (i) gas in petroleum systems and seepage, (ii) gas in geothermal systems and volcanoes and (iii) gas, seismicity and geohazards. ICGG-10 was held in 2009 in Romania, a country extraordinarily rich in surface gas manifestations, that offers innumerable opportunities for innovative studies on gas geochemistry. We briefly describe the present knowledge on gases occurring both in petroliferous sedimentary basins and geothermal areas of Romania. The 11 contributions of this special issue, which include data from eight countries, are then summarised. Based on these papers and other works presented at the ICGG-10, we find that significant advances in analytical capabilities, data treating and interpretation have led to innovative insights into the origin, distribution and environmental impact of gases migrating to the Earth’s surface. It is increasingly clear, in particular, that gas geochemistry can be more effective for petroleum exploration, volcano-tectonic, geodynamic and environmental studies, if multiparametric studies are performed and the data are interpreted in the geological context.
    Description: Published
    Description: 457-462
    Description: 4.5. Studi sul degassamento naturale e sui gas petroliferi
    Description: JCR Journal
    Description: restricted
    Keywords: geothermal gas ; international conference on gas geochemistry ; natural gas ; romania ; seeps ; 04. Solid Earth::04.04. Geology::04.04.12. Fluid Geochemistry
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 41
    Publication Date: 2017-04-04
    Description: Gas seepage from petroleum basins is the second largest natural source of methane to the atmosphere, after wetlands. The uncertainty in global emission estimates should be reduced by extending the flux database which is fundamental for defining the emission factors and the actual area of seepage adopted for up-scaling. As a contribution to this goal, we report a new seepage data-set for the Transylvanian Basin, one of the largest natural gas producing regions of Europe, that is characterized by the widespread occurrence of natural leakages of gas at the surface, including at least 73 mud volcanoes and gas seeps. In this study, methane flux was measured using closed-chambers, from 12 seepage sites, in correspondence with focused gas vents (mud volcano craters, bubbling pools, and flammable gas leaks), in the soil surrounding the vents, and at 15 sites located far from macroseep zones but close to gas fields. Fluxes from individual vents (macro-seeps) were found to reach orders of kg CH4 m)2 day)1 (up to 12 kg m)2 day)1) and diffuse fluxes from soils (miniseepage) were found to be up to a few g CH4 m)2 day)1. Far from seep zones, positive CH4 fluxes (microseepage) may occur locally, typically on the order of tens to hundreds of mg m)2 day)1. The values, as well as the occurrence of seepage even far from vent zones and in mud volcanoes that are apparently extinct, are coherent with results obtained in other countries. Gas fluxes from macro-seeps and soils may change seasonally, but the interannual variation of the average emission factor was found to be minimal. The total CH4 output for Transylvania macro-seeps is estimated conservatively to be around 680 t year)1; the total geo-CH4 seepage emission from the Transylvania petroleum system could be approximately 40 · 103 t year)1, and at least 100 · 103 t year)1 for all Romanian petroleum systems, that is roughly 10% of the total anthropogenic CH4 emission in the country.
    Description: Published
    Description: 463-475
    Description: 4.5. Studi sul degassamento naturale e sui gas petroliferi
    Description: JCR Journal
    Description: restricted
    Keywords: gas reservoirs ; methane emissions ; mud volcanoes ; seeps ; Transylvanian Basin ; 04. Solid Earth::04.05. Geomagnetism::04.05.99. General or miscellaneous
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  • 42
    Publication Date: 2017-04-04
    Description: Natural gas seeps in the Alpine region are poorly investigated. However, they can provide useful information regarding the hydrocarbon potential of sedimentary Alpine units and related geofluid migration, typically controlled by pressurized gas accumulations and tectonics. A gas seep located near Giswil, in the Swiss Northern Alps, was investigated, for the first time, for molecular and isotopic gas composition, methane flux to the atmosphere, and gas flux variations over time. The analyses indicated that the gas was thermogenic (CH4 〉 96%; d13C1: )35.5& to )40.2&) and showed evidence of subsurface petroleum biodegradation (13C-enriched CO2, and very low C3+ concentrations). The source rock in the region is marine Type II kerogen, which is likely the same as that providing thermogenic gas in the nearby Wilen shallow well, close to Lake Sarnen. However, the lack of d13CCO2 and d13C3 data for that well prevented us from determining whether the Wilen and Giswil seeps are fed by the same reservoir and seepage system. Gas fluxes from the Giswil seep, measured using a closedchamber system, were significant and mainly from two major vents. However, a substantial gas exhalation from the soil occurs diffusely in an area of at least 115 m2, leading to a total CH4 output conservatively estimated to be at least 16 tonnes per year. Gas flux variations, monitored over a 1-month period by a special tent and flowmeter, showed not only daily meteorological oscillations, but also an intrinsic ‘pulsation’ with periods of enhanced flux that lasted 2–6 h each, occurring every few days. The pulses are likely related to episodes of gas pressure build-up and discharge along the seepage system. However, to date, no relationship to seismicity in the active Sarnen strike-slip fault system has been established.
    Description: Published
    Description: 476-485
    Description: 4.5. Studi sul degassamento naturale e sui gas petroliferi
    Description: JCR Journal
    Description: restricted
    Keywords: Alps ; isotopes ; methane ; organic geochemistry ; seeps ; Switzerland ; 04. Solid Earth::04.04. Geology::04.04.12. Fluid Geochemistry
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  • 43
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    Antipode 28 (1996), S. 0 
    ISSN: 1467-8330
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geography
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  • 44
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    Antipode 28 (1996), S. 0 
    ISSN: 1467-8330
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geography
    Type of Medium: Electronic Resource
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  • 45
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    Antipode 28 (1996), S. 0 
    ISSN: 1467-8330
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geography
    Type of Medium: Electronic Resource
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  • 46
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    Antipode 28 (1996), S. 0 
    ISSN: 1467-8330
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geography
    Notes: Within this paper we chart the link between class and the politics of Loyalism in Northern Ireland. In so doing we argue that sectarianism is a socio-cultural construct which undermines the potential for political stability. The paper analyzes the evolution of Loyalism and in so doing contends that the extreme political violence which emanated from certain paramilitary groups was conditioned by socio-economic and political alterations in Northern Ireland. The paper indicates how class relationships clearly cross-cut politics, economics, ideology and culture.
    Type of Medium: Electronic Resource
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  • 47
    Electronic Resource
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    Notes: Book reviewed in this articles:Gideon S. Golany Ethics and Urban Design: Culture, Form and Environment.Thomas Richards (1993) The Imperial Archive.J. M Blaut The Coloniser's Model of the World: Geographical Diffusionism and Eurocentric History.Dolores Hayden, (1995) The Power of Place: Urban Landscapes as Public History.Paela Shurmer-Smith and Kevin Hannam (1994) Worlds of Desire, Realms of Power: A Cultural Geography.C. Greed, (1994) Women and Planning: Creating Gendered Realities
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    Notes: In the context of national trade union decline, this paper explores the geography of trade union organization through case study research at the Shredded Wheat Factory in Welwyn Garden City (Herfordshire, UK). This example highlights the geographical constitution of trade union traditions, focusing upon the ways in which collective practices and ideas are forged in particular places but also how trade union traditions can be translated across space, from one place to another. This translation is argued to take place in three ways: (i) through the direct migration of workers, (ii) through the “demonstration effects” of strikes, trade union defeats and the ensuing media and trade union coverage of these events, and (iii) through solidarity initiatives taken by workers themselves. Rather than understanding workers' traditions as being historical products in place, I argue they are simultaneously geographical in their constitution. Trade unionism is shown to be processual, constantly evolving in and across time and space. Through such insights the research enhances existing geographical work in the field, advocating an approach which focuses upon the agency involved in trade union organization, the processual nature of trade union organization and the importance of the spatial translation of trade union traditions.
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    Notes: Critical geography must go beyond the spaces of power to political ecology. Human activity is necessarily ecological, and so too are politics and democracy. Thus, the regulation of environmental contradictions raises fundamental issues of democratic politics and principles of social justice. The answers to environmental crises are not to be found in the state or the market, the two leviathans, but in the ability of humans to govern themselves democratically and justly in relation to the earth. Because landscape is the sedimented history of human transformations of nature, love of landscapes and their Otherness is a testing ground for a moral and democratic relation to nature.
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    Notes: This paper explores the beliefs and practices of the mythopoetic men's movement. More specifically, it focuses on the movement's adherents' representations of “racial” identity and wilderness. After introducing the movement, I argue that, a) the mythopoetic men's movement creatively reworks colonialist fantasies of non-Western societies and landscapes, and b) that this process acts to naturalize the movement's adherents' contradictory experiences of power. The paper concludes with some observations on primitivist cultural appropriation.
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    Notes: Book reviewed in this article: Thomas A. Markus, Buildings and Power: Freedom and Control in the Origin of Modern Building Types. John Pickles, editor, Ground Truth: The Social Implications of Geographic Information Systems. M. Camoy, M. Castells, S. S. Cohen and F. H. Cardoso, The New Global Economy in the Information Age: Reflections on Our Changing World. Anne Power, Hovels to High Rise: State Housing in Europe Since 1850.
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    Notes: Research on environmental racism has emphasized positive rationality. While useful for policy and legal interventions, this is problematic from a radical political and theoretical viewpoint. By examining two key research questions–is “race” or class responsible for discriminatory patterns? which came first, the people or the hazard?–I explore the implicit assumptions concerning racism within this framework. This reveals a large, pervasive set of misconceptions, including a tendency to reduce racism to overt actions, denying racism as ideology, and insisting on a fixed, unitary idea of racism. Both scholars committed to antiracism and those who challenge environmental justice activists' claims reproduce these conceptualizations.
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    Notes: Historical preservation often reveals more about contemporary culture than about history. The Alamo in San Antonio, Texas, is just such a case. No other large US city is so dominated by a single historical event, and the Alamo plays a central role as a cultural icon for regional Anglo identity, a symbol of the Anglo-dominated social hierarchy. Its preservation and restoration have coincided with modern identity formation contextualized by commodities. Thus, a critical part of this project is the development of a consumer landscape as an economic extension of the Alamo that promotes consumption by harmonizing with prevailing Anglo conceptions of ethnic identities; not simply a strategically located commercial zone, but an integral part of the pilgrimage to the monument, providing a mechanism for socialization, including “racialization”, contextualized by commodities.
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    Notes: The gruesome murder of Elizabeth Short, a sex worker nicknamed the “Black Dahlia,” created a real-life film noir tale in postwar Los Angeles. In the unsuccessful search for her killer, the tabloid press and psychiatric “experts” indicted all forms of the open sexual expression brought on by the war as complicit. The problematic connection made at the time between the sexually dangerous woman and the corruptions of postwar Los Angeles has been reinforced in the numerous fictional retellings of the case written in the past fifteen years.
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    Notes: A controversial new Criminal Justice and Public Order Act in Great Britain contains measures to curb the lifestyles of a group known collectively as “New Age Travellers”. This paper examines these travellers as “folk devils” of the Conservative “New Right” on a number of levels: their lifestyle does not conform to that espoused by authoritarian or libertarian Conservatism; moreover, they violate the spatial order of contemporary British society by trespassing against the dominant social representation of the countryside — the “rural idyll”. In Parliamentary debates speakers drew on the rural idyll to defend the exclusivity of access to the countryside. Notably, whilst Gypsies were seen as having a legitimate if highly marginalized position in the rural representation, few saw any place for New Age travellers.
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    Notes: Book reviewed in this article: Sarah A. Radcliffe and Sallie Westwood (Eds.) ‘Viva’. Women and popular protest in Latin America. J. Little, Gender, Planning and the Policy Process. Vivian Kinnaird and Derek Hall (Eds.) Tourism: A Gender Analysis. Anne Buttimer, Geography and the Human Spirit. Graham Huggan. Territorial Disputes: Maps and Mapping Strategies in Contemporary Canadian and Australian Fiction.
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    Notes: In the past decade a shift in ecological politics has set off a scramble to “protect” and “defend” putatively pristine ecosystems in Africa, Amazonia and Southeast Asia. This aggressive program bespeaks a new sense of manifest ecological destiny among environmental organizations and donors and has given rise to a “politics of stabilization” characterized by new forms of property and labor relationships. This paper traces the impact of ecological policies on commodity production in Gambia where communal market gardens run by women's groups are being converted into privatized orchards managed by male landholders in a state-directed, donor-funded initiative designed to meet stabilization goals. The zealous pursuit of commercial objectives has come at the expense of critical food entitlement and livelihood strategies which currently form the basis of the rural Gambian political economy. The paper uses this evidence to urge reconsidering the politics of environmental intervention.
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    Notes: This paper examines the politics of land and forest rights in Kalimantan (Indonesian Borneo). Forest mapping by government forestry planners allocates rights of resource use and land access according to forest types and economic objectives, only rarely recognizing indigenous occupancy rights or forest territories customarily claimed or managed by local people. As maps and official plans based on them ignore, and in some cases criminalize, traditional rights to forest, forest products, and forest land for temporary conversion to swidden agriculture, indigenous activists are using sketch maps to re-claim territories - a process that requires re-defining many traditional forest rights. The paper considers the political implications of mapping and the implications of a focus on land use rather than forest use.
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    Notes: The people of the Rural Federation of Zambrana-Chacuey, in the Dominican Republic, are engaged in complex and multivalent struggles over resources in a forest and farm landscape subject to rapid land use change. Acacia mangium, a fast growing tree recently introduced as a timber cash crop, has become an object, a site and a tool of struggle in conflicts between local and state interests, and between women and men. Until recently, tree cutting has been illegal, so the government-approved acacia has reversed the role of trees from liabilities to assets in land tenure. The acacia has also begun to alter the pattern of land use, land cover, and the species composition of the region's forests, gardens, and fields, and could replace women's diverse gardens with single species blocks of timber.
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    Notes: This article weighs recent scientific evidence that the urbanization of Southern California has taken place during one of the most unusual episodes of climatic and seismic benignity in the last 3500 years. Official disaster and resource planning, moreover, has been based on record-keeping shorter than the temporal wavelengths of the most important landscape processes. Indeed, the “biblical” flood, fire, and earthquake disasters of the last three years may only be a prelude to seismic and climatic events of far greater magnitude. What will be the future of the Los Angeles area if Congress refuses to continue federal disaster subsidies?
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    Notes: Indonesia, among the world's most culturally diverse countries, has long grappled with the issues of national unity. This paper explores the meanings of Medan Merdeka [Independence Square] in central Jakarta, Indonesia - a particular site in which symbols for the abstract ideals of political unity and national identity were constructed in an urban space honoring the struggle for national independence. These symbols, however, also expose the struggle to define “Indonesianness” within the international geopolitical milieu of the post-independence years. As such they offer a glimpse into competing interpretations of identity and the real world struggle to impose meaning on the built environment.
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    Notes: Book Reviewed in this article: Doug Aberly (Ed.) Boundaries of Home: Mapping for Local Empowerment. James Duncan and David Ley (Eds.) place/culture/representation. Robin Fisher and Hugh Johnston (Eds.) From Maps to Metaphors: Charles Jencks. Heteropolis: Los Angeles, the riots and the strange beauty of hetero-architecture. J. Norwine. A Postmodern Tao: A Guide to Apprehending Ways of Meaning in Pathless Lands. Doreen Massey. Space. place and gender.
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    Notes: Books reviewed in this article:Olsson, Gunnar, Birds in Egg/Eggs in Bird REPLaY A Critical Review of The Political Economy of the Welfare State, by Ian Cough. The Geography of Public Finance, by R. J. Bennett
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    Notes: The article gives an overview of the development of creativity techniques in Germany starting with the routes in the 1960s. Typical German methods are described; namely: Brainwriting, Visual Confrontation and Morphological Techniques. Also a software-tool supporting the process of creative problem solving in all phases is presented. The last section deals with a survey in German industry showing significantly that companies applying creativity techniques more frequently and more systematically realize higher levels of business success.
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    Notes: Japan's economic miracle results from a combination of factors including governmental support for selected industries, labor factors, cultural factors, management factors, and corporate strategy. When corporate strategy is examined, it becomes clear that to Japanese firms, strategy is a market share game, with constant striving for lower costs and relative differentiation achieved largely through continuous improvement. At the core of this strategy are product and process innovation. This article describes the typical large- and medium-sized Japanese firms' innovation strategies in terms of several decisions which taken together constitute innovation strategy.
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    Notes: As the world economy begins to shift from the industrial states of the past toward marketable service orientations, the need for those adults under highly stressful circumstances to reduce their stress levels becomes imperative. The peak performer, whether in business and industry, education and teaching or any other field, should regard, accept and anticipate stress indicators by using appropriate methods to alleviate that stress before it becomes highly detrimental to employment and personal performance. The utilization of those activities we played as children can become modified tools and techniques for the stressed personality.
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    Notes: 1995 promises to become a sparkling year in the development of the European Association for Creativity and Innovation. Patrick Colemont, director of E.A.C.I., invites you to clink a glass and to propose a toast for success.
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    Notes: Book review in this ArticleHaridimos Tsoukas (editor), 1994, New Thinking in Organizational Behaviour: From social engineering to reflective actionPatrick D. T. O'Connor, 1994, The Practice of Engineering Management - A New ApproachJohn Naisbitt, 1994, Global Paradox: The bigger the world economy, the more powerful its Smallest PlayersBen-Zion Sandler, 1994, Computer-Aided Creativity.Louis Kraar, Seiichi Takikawa, Japanese MaverickBurkard Sievers, 1994, Work, Death and Life Itself: Essays on Management and Organization
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    Notes: The inventors of creativity techniques, such as brainstorming, brainwriting, synectics, bionics, and morphological analysis, leave no doubt about the effectiveness of these instruments for generation of new ideas. But definite empirical proof is still lacking. We argue that differences in assessing the creativity techniques exist as a result of ignoring difficulties of users in coping with information behaviour. Most of the structures neglect the problem of information overload. They favour uncontrollable information generation and processing. This leads mainly to slogans, catch-phrases, and aphorisms. Complex follow-up work is required. We argue that an optimal fit is needed between the problem to be solved and the respective creativity technique.
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    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Economics
    Notes: This article examines the premise that increasing concentration of power in large, multinational organizations will eventually necessitate the political control of such organizations to ensure the interests and well-being, however defined, of their host countries. This view assumes that centralized control is necessary to prevent abuses of power by private organizations who are not necessarily concerned with the public good. Another view is the anarchist paradigm, where it is assumed that people and groups, left to sort things out among themselves, will eventually produce outcomes beneficial for the whole. Aligned with this approach is the transformational or emerging paradigm. I will examine the assumptions that underlie each paradigm and leave the reader to decide their relative validity.
    Type of Medium: Electronic Resource
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  • 97
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    Creativity and innovation management 4 (1995), S. 0 
    ISSN: 1467-8691
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Economics
    Notes: Former Socialist Central and Eastern European Countries are working to achieve economic self-sufficiency. The creation of high-value-added jobs to retain their skilled workpeople and the achievement of international economic competitiveness are major challenges they face. In this article the author proposes the strategy of regional economic development through entrepreneurial innovation, with emphasis on technological companies. The viability of this approach, and the lessons learned from it, are assessed using case study material from Poland and Ukraine.
    Type of Medium: Electronic Resource
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  • 98
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    Singapore journal of tropical geography 19 (1998), S. 0 
    ISSN: 1467-9493
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geography
    Type of Medium: Electronic Resource
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  • 99
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    Singapore journal of tropical geography 17 (1997), S. 0 
    ISSN: 1467-9493
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geography
    Type of Medium: Electronic Resource
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  • 100
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    Singapore journal of tropical geography 17 (1997), S. 0 
    ISSN: 1467-9493
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geography
    Notes: During the last decade, more than 600,000 people have been forced to leave rural areas and migrate to regional urban centres in Colombia as a result of political violence in which guerrilla and paramilitary groups and the armed forces are the principal actors. The number of displaced people is still increasing. Nearly 60 per cent of them are women, and at least 25 per cent of the displaced households are headed by women, most of whom are widows. Focusing on three regions of the country - the northern Caribbean Coast, the central Middle Magdalena region and the Eastern Plains - the effects of forced displacement on women and men are analysed in terms of intra-household relationships, survival strategies and gender identities. The paper evaluates the gains and losses for women and men in the process of displacement. It argues that displacement has the strongest impact on women during the stage of “destruction”, while men, confronted with unemployment and loss of identity, are most affected during the stage of “reconstruction”.
    Type of Medium: Electronic Resource
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