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  • in-cell NMRnuclear magnetic resonancecellular structural biologycellular environmentprotein interactions  (2)
  • Al/Si orderingvacancy orderingceramicssuperspaceincommensurate structures  (1)
  • Big Datareproducibilitydata sharingmetadataopen science  (1)
  • Allgemeine Physik
  • CHA zeolitescatalytic activitylocation of Cu2+synchrotron powder X-ray diffractionRietveld/maximum entropy method
  • International Union of Crystallography (IUCr)  (4)
  • American Institute of Physics (AIP)
  • 2015-2019  (4)
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Schlagwörter
Verlag/Herausgeber
  • International Union of Crystallography (IUCr)  (4)
  • American Institute of Physics (AIP)
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  • 1
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    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publikationsdatum: 2018-06-26
    Beschreibung: Synchrotron single-crystal X-ray diffraction has revealed diffuse scattering alongside sharp satellite reflections for different samples of mullite (Al4+2xSi2−2xO10−x). Structural models have been developed in (3+1)-dimensional superspace that account for vacancy ordering and Al/Si ordering based on harmonic modulation functions. A constraint scheme is presented which explains the crystal-chemical relationships between the split sites of the average structure. The modulation amplitudes of the refinements differ significantly by a factor of ∼3, which is explained in terms of different degrees of ordering, i.e. vacancies follow the same ordering principle in all samples but to different extents. A new approach is applied for the first time to determine Al/Si ordering by combining density functional theory with the modulated volumes of the tetrahedra. The presence of Si–Si diclusters indicates that the mineral classification of mullite needs to be reviewed. A description of the crystal structure of mullite must consider both the chemical composition and the degree of ordering. This is of particular importance for applications such as advanced ceramics, because the physical properties depend on the intrinsic structure of mullite.
    Schlagwort(e): Al/Si orderingvacancy orderingceramicssuperspaceincommensurate structures
    Digitale ISSN: 2052-2525
    Thema: Geologie und Paläontologie , Physik
    Standort Signatur Erwartet Verfügbarkeit
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  • 2
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    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publikationsdatum: 2017-02-15
    Beschreibung: Classical structural biology approaches allow structural characterization of biological macromolecules in vitro, far from their physiological context. Nowadays, thanks to the wealth of structural data available and to technological and methodological advances, the interest of the research community is gradually shifting from pure structural determination towards the study of functional aspects of biomolecules. Therefore, a cellular structural approach is ideally needed to characterize biological molecules, such as proteins, in their native cellular environment and the functional processes that they are involved in. In-cell NMR is a new application of high-resolution nuclear magnetic resonance spectroscopy that allows structural and dynamical features of proteins and other macromolecules to be analyzed directly in living cells. Owing to its challenging nature, this methodology has shown slow, but steady, development over the past 15 years. To date, several in-cell NMR approaches have been successfully applied to both bacterial and eukaryotic cells, including several human cell lines, and important structural and functional aspects have been elucidated. In this topical review, the major advances of in-cell NMR are summarized, with a special focus on recent developments in eukaryotic and mammalian cells.
    Schlagwort(e): in-cell NMRnuclear magnetic resonancecellular structural biologycellular environmentprotein interactions
    Digitale ISSN: 2052-2525
    Thema: Geologie und Paläontologie , Physik
    Standort Signatur Erwartet Verfügbarkeit
    BibTip Andere fanden auch interessant ...
  • 3
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    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publikationsdatum: 2017-02-24
    Schlagwort(e): in-cell NMRnuclear magnetic resonancecellular structural biologycellular environmentprotein interactions
    Digitale ISSN: 2052-2525
    Thema: Geologie und Paläontologie , Physik
    Standort Signatur Erwartet Verfügbarkeit
    BibTip Andere fanden auch interessant ...
  • 4
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    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publikationsdatum: 2016-12-28
    Schlagwort(e): Big Datareproducibilitydata sharingmetadataopen science
    Digitale ISSN: 2052-2525
    Thema: Geologie und Paläontologie , Physik
    Standort Signatur Erwartet Verfügbarkeit
    BibTip Andere fanden auch interessant ...
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