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CRYSTALLOGRAPHY (23 journals)

Showing 1 - 20 of 20 Journals sorted alphabetically
Acta Crystallographica Section A: Foundations and Advances     Hybrid Journal   (Followers: 8)
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials     Hybrid Journal   (Followers: 6)
Acta Crystallographica Section C: Structural Chemistry     Hybrid Journal   (Followers: 4)
Acta Crystallographica Section D : Biological Crystallography     Hybrid Journal   (Followers: 7)
Acta Crystallographica Section E : Crystallographic Communications     Open Access   (Followers: 3)
Acta Crystallographica Section F: Structural Biology Communications     Hybrid Journal   (Followers: 8)
Crystal Growth & Design     Hybrid Journal   (Followers: 13)
Crystal Research and Technology     Hybrid Journal   (Followers: 6)
Crystallography Reports     Hybrid Journal   (Followers: 2)
Crystallography Reviews     Hybrid Journal   (Followers: 3)
IUCrJ     Open Access  
Journal of Applied Crystallography     Hybrid Journal   (Followers: 7)
Journal of Chemical Crystallography     Hybrid Journal   (Followers: 2)
Journal of Crystal Growth     Hybrid Journal   (Followers: 6)
Liquid Crystals     Hybrid Journal   (Followers: 1)
Liquid Crystals Today     Hybrid Journal   (Followers: 1)
Materials and Devices     Open Access  
Molecular Crystals and Liquid Crystals     Hybrid Journal   (Followers: 1)
Polymer crystallization     Hybrid Journal  
Progress in Crystal Growth and Characterization of Materials     Full-text available via subscription   (Followers: 8)
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IUCrJ
Journal Prestige (SJR): 3.212
Citation Impact (citeScore): 5
Number of Followers: 0  

  This is an Open Access Journal Open Access journal
ISSN (Online) 2052-2525
Published by IUCr Homepage  [10 journals]
  • MicroED: conception, practice and future opportunities

    • Authors: Clabbers; M.T.B., Shiriaeva, A., Gonen, T.
      Abstract: This article documents a keynote seminar presented at the IUCr Congress in Prague, 2021. The cryo-EM method microcrystal electron diffraction is described and put in the context of macromolecular electron crystallography from its origins in 2D crystals of membrane proteins to today's application to 3D crystals a millionth the size of that needed for X-ray crystallography. Milestones in method development and applications are described with an outlook to the future.
      Keywords: MicroED; cryo-EM; microcrystal electron diffraction; crystallography; membrane proteins
      Citation: urn:issn:2052-2525
      PubDate: 2022-01-18
      DOI: 10.1107/S2052252521013063
      Issue No: Vol. 9, No. 2 (2022)
       
  • Formation and stabilization mechanism of mesoscale clusters in solution

    • Authors: Zong; S., Wang, J., Huang, X., Wu, H., Liu, Q., Hao, H.
      Abstract: To understand the existence of complex meso-sized solute-rich clusters, which challenge the understanding of phases and phase equilibria, the formation and stabilization mechanisms of clusters in solution during nucleation of crystals and the associated physico-chemical rules are studied in detail. An essential part of the mechanism is the formation of long-lived oligomers between solute molecules. By means of density functional theory simulation and nuclear magnetic resonance experiments, this work showed that the oligomers in solution tend to be π–π stacking dimers. Clusters are formed under the combined effect of diffusion and monomer–dimer reaction. The physically meaningful quantities such as the monomer–dimer reaction rate constants and the diffusion coefficients of both species were obtained by reaction-diffusion kinetics and diffusion-ordered spectroscopy results. The evolution of cluster radius as a function of time, and the qualitative spatial distributions of monomer and dimer densities under steady-state were plotted to better understand the formation process and the nature of the clusters.
      Keywords: crystal nucleation; clusters; stabilization mechanism
      Citation: urn:issn:2052-2525
      PubDate: 2022-01-18
      DOI: 10.1107/S2052252521012987
      Issue No: Vol. 9, No. 2 (2022)
       
  • Crystallography relevant to Mars and Galilean icy moons: crystal behavior
           of kieserite-type monohydrate sulfates at extraterrestrial conditions down
           to 15 K

    • Authors: Wildner; M., Zakharov, B.A., Bogdanov, N.E., Talla, D., Boldyreva, E.V., Miletich, R.
      Abstract: Monohydrate sulfate kieserites (M2+SO4·H2O) and their solid solutions are essential constituents on the surface of Mars and most likely also on Galilean icy moons in our solar system. Phase stabilities of end-member representatives (M2+ = Mg, Fe, Co, Ni) have been examined crystallographically using single-crystal X-ray diffraction at 1 bar and temperatures down to 15 K, by means of applying open He cryojet techniques at in-house laboratory instrumentation. All four representative phases show a comparable, highly anisotropic thermal expansion behavior with a remarkable negative thermal expansion along the monoclinic b axis and a pronounced anisotropic expansion perpendicular to it. The lattice changes down to 15 K correspond to an `inverse thermal pressure' of approximately 0.7 GPa, which is far below the critical pressures of transition under hydrostatic compression (Pc ≥ 2.40 GPa). Consequently, no equivalent structural phase transition was observed for any compound, and neither dehydration nor rearrangements of the hydrogen bonding schemes have been observed. The M2+SO4·H2O (M2+ = Mg, Fe, Co, Ni) end-member phases preserve the kieserite-type C2/c symmetry; hydrogen bonds and other structural details were found to vary smoothly down to the lowest experimental temperature. These findings serve as an important basis for the assignment of sulfate-related signals in remote-sensing data obtained from orbiters at celestial bodies, as well as for thermodynamic considerations and modeling of properties of kieserite-type sulfate monohydrates relevant to extraterrestrial sulfate associations at very low temperatures.
      Keywords: monohydrate sulfate kieserites; Galilean icy moons; He cryojet techniques
      Citation: urn:issn:2052-2525
      PubDate: 2022-01-11
      DOI: 10.1107/S2052252521012720
      Issue No: Vol. 9, No. 2 (2022)
       
  • Unsupervised learning approaches to characterizing heterogeneous samples
           using X-ray single-particle imaging

    • Authors: Zhuang; Y., Awel, S., Barty, A., Bean, R., Bielecki, J., Bergemann, M., Daurer, B.J., Ekeberg, T., Estillore, A.D., Fangohr, H., Giewekemeyer, K., Hunter, M.S., Karnevskiy, M., Kirian, R.A., Kirkwood, H., Kim, Y., Koliyadu, J., Lange, H., Letrun, R., Lübke, J., Mall, A., Michelat, T., Morgan, A.J., Roth, N., Samanta, A.K., Sato, T., Shen, Z., Sikorski, M., Schulz, F., Spence, J.C.H., Vagovic, P., Wollweber, T., Worbs, L., Xavier, P.L., Yefanov, O., Maia, F.R.N.C., Horke, D.A., Küpper, J., Loh, N.D., Mancuso, A.P., Chapman, H.N., Ayyer, K.
      Abstract: One of the outstanding analytical problems in X-ray single-particle imaging (SPI) is the classification of structural heterogeneity, which is especially difficult given the low signal-to-noise ratios of individual patterns and the fact that even identical objects can yield patterns that vary greatly when orientation is taken into consideration. Proposed here are two methods which explicitly account for this orientation-induced variation and can robustly determine the structural landscape of a sample ensemble. The first, termed common-line principal component analysis (PCA), provides a rough classification which is essentially parameter free and can be run automatically on any SPI dataset. The second method, utilizing variation auto-encoders (VAEs), can generate 3D structures of the objects at any point in the structural landscape. Both these methods are implemented in combination with the noise-tolerant expand–maximize–compress (EMC) algorithm and its utility is demonstrated by applying it to an experimental dataset from gold nanoparticles with only a few thousand photons per pattern. Both discrete structural classes and continuous deformations are recovered. These developments diverge from previous approaches of extracting reproducible subsets of patterns from a dataset and open up the possibility of moving beyond the study of homogeneous sample sets to addressing open questions on topics such as nanocrystal growth and dynamics, as well as phase transitions which have not been externally triggered.
      Keywords: coherent X-ray diffractive imaging (CXDI); single particles; XFELs
      Citation: urn:issn:2052-2525
      PubDate: 2022-01-11
      DOI: 10.1107/S2052252521012707
      Issue No: Vol. 9, No. 2 (2022)
       
 
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