scholarly journals Three-dimensional structure of CdX (X=Se,Te) nanocrystals by total x-ray diffraction

2007 ◽  
Vol 102 (4) ◽  
pp. 044304 ◽  
Author(s):  
S. K. Pradhan ◽  
Z. T. Deng ◽  
F. Tang ◽  
C. Wang ◽  
Y. Ren ◽  
...  
Keyword(s):  
Three Dimensional ◽  
Dimensional Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Three Dimensional Structure

scholarly journals X-Ray Diffraction of Magnetically Oriented Microcrystals of Protein

2014 ◽  
Vol 70 (a1) ◽  
pp. C349-C349
Author(s):  
Shu Tsukui ◽  
Fumiko Kimura ◽  
Kimihiko Mizutani ◽  
Bunzo Mikami ◽  
Tsunehisa Kimura
Keyword(s):  
Single Crystal ◽  
Three Dimensional ◽  
Water Soluble ◽  
Dimensional Structure ◽  
Diffraction Measurement ◽  
X Ray Diffraction ◽  
Consolidation Process ◽  
X Ray ◽  
Three Dimensional Structure

Elucidation of the three-dimensional structure of biomolecules is of great importance because the three-dimensional structure is closely related to biological functions. X-ray single-crystal analysis is powerful method to analyze the structure, but it is sometimes difficult to grow a crystal sufficiently large for conventional or even synchrotron single-crystal X-ray measurement. We recently reported on a magnetically oriented microcrystal array (MOMA) [1] that is a composite in which microcrystals are aligned three-dimensionally in polymer matrix. Microcrystals are suspended in an ultraviolet-curable monomer and rotated non-uniformly in a static magnetic field to achieve three dimensional crystal alignment. Then, the monomer is photopolymerized to maintain the achieved alignment. We have successfully demonstrated that X-ray single crystal structure determinations through MOMA are possible for low molecular weight compounds [2] as well as protein. [3] However, the method with MOMA has two drawbacks: (i) the sample microcrystals cannot be recovered from a MOMA, which is especially serious problem in case of proteins, and (ii) the alignment is deteriorated during the consolidation process, causing low resolution. In this study, we attempt to solve these problems. First, we use a water-soluble sol as microcrystalline media and consolidate the alignment by gelation, which makes the recovery of microcrystals possible. Second, a magnetically oriented microcrystal suspension (MOMS) is used for in-situ X-ray diffraction measurement, which makes the sample recovery possible and enhances the resolution. We use lysozyme as a model protein for both cases. The in-situ method with in-house X-ray diffractometer gave diffraction spots about 3.0 Å resolutions. We plan to perform the same experiment at SPring-8.

A multiple-common-lines method to determine the orientation of snapshot diffraction patterns from single particles

2014 ◽  
Vol 70 (4) ◽  
pp. 364-372 ◽  
Author(s):  
Liang Zhou ◽  
Tian-Yi Zhang ◽  
Zhong-Chuan Liu ◽  
Peng Liu ◽  
Yu-Hui Dong
Keyword(s):  
Three Dimensional ◽  
Dimensional Structure ◽  
X Ray Diffraction ◽  
Single Particles ◽  
X Ray ◽  
Three Dimensional Structure ◽  
Individual Object ◽  
Common Lines ◽  
Diffraction Imaging ◽  
Diffraction Patterns

With the development of X-ray free-electron lasers (XFELs), it is possible to determine the three-dimensional structures of noncrystalline objects with coherent X-ray diffraction imaging. In this diffract-and-destroy mode, many snapshot diffraction patterns are obtained from the identical objects which are presented one by one in random orientations to the XFEL beam. Determination of the orientation of an individual object is essential for reconstruction of a three-dimensional structure. Here a new method, called the multiple-common-lines method, has been proposed to determine the orientations of high- and low-signal snapshot diffraction patterns. The mean errors of recovered orientations (α, β, γ) of high- and low-signal patterns are about 0.14, 0.06, 0.12 and 0.77, 0.31, 0.60°, respectively; both sets of errors can meet the requirements of the reconstruction of a three-dimensional structure.

A monoclinic modification of K3[InCl6]

2006 ◽  
Vol 62 (7) ◽  
pp. i143-i144 ◽  
Author(s):  
Lin Chen ◽  
Bo-Lin Wu ◽  
Xiao-Yi He ◽  
Jin-Xiao Mi
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Data ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Solvent Evaporation Method ◽  
X Ray Diffraction ◽  
Monoclinic Modification ◽  
X Ray ◽  
Three Dimensional Structure

The crystal structure of monoclinic tripotassium indium(III) hexachloride, K3[InCl6], obtained by the solvent evaporation method, has been determined from single-crystal X-ray diffraction data. The crystal structure is characterized by isolated [InCl6] octahedra located in the centre of the cell and at the centre of each of the edges of the cell, linked with K+ cations to form a three-dimensional structure.

scholarly journals Three-dimensional structure of a single colloidal crystal grain studied by coherent x-ray diffraction

2012 ◽  
Vol 20 (4) ◽  
pp. 4039 ◽  
Author(s):  
J. Gulden ◽  
O. M. Yefanov ◽  
A. P. Mancuso ◽  
R. Dronyak ◽  
A. Singer ◽  
...  
Keyword(s):  
Colloidal Crystal ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Three Dimensional Structure

X-ray-diffraction studies of the three-dimensional structure within iodine-intercalated poly(3-octylthiophene)

1995 ◽  
Vol 51 (1) ◽  
pp. 159-168 ◽  
Author(s):  
T. J. Prosa ◽  
M. J. Winokur ◽  
Jeff Moulton ◽  
Paul Smith ◽  
A. J. Heeger
Keyword(s):  
Three Dimensional ◽  
Dimensional Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Three Dimensional Structure

The three-dimensional structure of rat liver mitochodria F1-ATPase: X-ray diffraction studies

1994 ◽  
Vol 1187 (2) ◽  
pp. 163-164 ◽  
Author(s):  
Mario Bianchet ◽  
Djamel Medjahed ◽  
Joanne Hulihen ◽  
Peter L. Pedersen ◽  
L.Mario Amzel
Keyword(s):  
Rat Liver ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Three Dimensional Structure ◽  
F1 Atpase

scholarly journals Application of differential resonant high-energy X-ray diffraction to three-dimensional structure studies of nanosized materials: A case study of Pt–Pd nanoalloy catalysts

2018 ◽  
Vol 74 (5) ◽  
pp. 553-566 ◽  
Author(s):  
Valeri Petkov ◽  
Sarvjit Shastri ◽  
Jong-Woo Kim ◽  
Shiyao Shan ◽  
Jin Luo ◽  
...  
Keyword(s):  
Density Functional ◽  
Rational Design ◽  
Three Dimensional ◽  
High Energy ◽  
Atomic Scale ◽  
Dimensional Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Three Dimensional Structure ◽  
Nanosized Materials

Atoms in many of the increasingly complex nanosized materials of interest to science and technology do not necessarily occupy the vertices of Bravais lattices. The atomic scale structure of such materials is difficult to determine by traditional X-ray diffraction and so their functional properties remain difficult to optimize by rational design. Here, the three-dimensional structure of Pt x Pd100−x nanoalloy particles is determined, where x = 0, 14, 36, 47, 64 and 100, by a non-traditional technique involving differential resonant high-energy X-ray diffraction experiments conducted at the K edge of Pt and Pd. The technique is coupled with three-dimensional modeling guided by the experimental total and element-specific atomic pair distribution functions. Furthermore, using DFT (density functional theory) calculation based on the positions of atoms in the obtained three-dimensional structure models, the catalytic performance of Pt–Pd particles is explained. Thus, differential resonant high-energy X-ray diffraction is shown to be an excellent tool for three-dimensional structure studies of nanosized materials. The experimental and modeling procedures are described in good detail, to facilitate their wider usage.

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