scholarly journals Dynamic Structural Analysis of Biodegradable Polyester Crystals by Synchrotron Radiation X-ray

2008 ◽  
Vol 81 (1) ◽  
pp. 23-28
Author(s):  
Masahiro FUJITA ◽  
Yoshiharu DOI
Keyword(s):  
Structural Analysis ◽  
Synchrotron Radiation ◽  
Biodegradable Polyester ◽  
X Ray ◽  
Dynamic Structural Analysis

Machine Learning Powered by Principal Component Descriptors as the Key for Sorted Structural Fit of XANES

2021 ◽  
Author(s):  
Andrea Martini ◽  
Alexander A. Guda ◽  
Sergey A. Guda ◽  
Aram L. Bugaev ◽  
Olga V. Safonova ◽  
...  
Keyword(s):  
Machine Learning ◽  
Structural Analysis ◽  
Synchrotron Radiation ◽  
Free Electron Laser ◽  
Principal Component ◽  
Analytical Tool ◽  
X Ray ◽  
Radiation Sources ◽  
X Ray Absorption

Modern synchrotron radiation sources and free electron laser made X-ray absorption spectroscopy (XAS) an analytical tool for the structural analysis of materials under in situ or operando conditions. Fourier approach...

Operando Structural Analysis of Phase Transition of Graphite Electrode during Li De-Intercalation Process Using Synchrotron Radiation X-Ray Diffraction

2020 ◽  
Vol MA2020-02 (62) ◽  
pp. 3187-3187
Author(s):  
Shigeharu Takagi ◽  
Keiji Shimoda ◽  
Hiroyuki Fujimoto ◽  
Hisao Kiuchi ◽  
Jun Haruyama ◽  
...  
Keyword(s):  
Phase Transition ◽  
Structural Analysis ◽  
Synchrotron Radiation ◽  
Graphite Electrode ◽  
X Ray Diffraction ◽  
X Ray ◽  
Intercalation Process

scholarly journals Crystallization, preliminary X-ray diffraction analysis and Patterson search of oxyhaemoglobin I from the wolf (Chrysocyon brachiurus)

1999 ◽  
Vol 55 (9) ◽  
pp. 1618-1619 ◽  
Author(s):  
A. L. S. Smarra ◽  
V. Fadel ◽  
M. Dellamano ◽  
J. R. Olivieri ◽  
W. F. de Azevedo ◽  
...  
Keyword(s):  
Maximum Likelihood ◽  
Structural Analysis ◽  
Synchrotron Radiation ◽  
Diffraction Data ◽  
Molecular Replacement ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
Comparative Biochemistry ◽  
X Ray ◽  
Patterson Search

Oxyhaemoglobin I isolated from the Brazilian wolf Chrysocyon brachiurus has been crystallized and X-ray diffraction data has been collected to 2.06 Å resolution using a synchrotron-radiation source. Crystals were determined to belong to the space group P212121 and preliminary structural analysis revealed the presence of one tetramer in the asymmetric unit. The structure was determined using standard molecular-replacement techniques and is currently being refined using maximum-likelihood protocols. This is the first haemoglobin isolated from a member of the Canidae family to be crystallized and it will provide further insights in the comparative biochemistry of vertebrate haemoglobins.

Importance of True Satellite Reflections in the Analysis of Modulated, Composite Crystal Structures. I. A New Refinement of [M 2Cu2O3]7+δ[CuO2]10, M = Bi0.06Sr0.46Ca0.48

1997 ◽  
Vol 53 (1) ◽  
pp. 113-124 ◽  
Author(s):  
A. F. Jensen ◽  
F. K. Larsen ◽  
B. B. Iversen ◽  
V. Petříček ◽  
T. Schultz ◽  
...  
Keyword(s):  
Coordination Chemistry ◽  
Structural Analysis ◽  
Synchrotron Radiation ◽  
Least Squares ◽  
Structural Model ◽  
Second Order ◽  
X Ray ◽  
First Order ◽  
Composite Crystal ◽  
Modulation Vector

A new structural model for the composite crystal bismuth strontium calcium cuprate [M 2Cu2O3]7+δ[CuO2]10 with M = Bi0.06Sr0.46Ca0.48 and δ = 0.03 has been determined. The structure is orthorhombic with a = 11.380 (2), b = 12.960 (4) Å and incommensurate along c. Sublattice 1 of composition (CuO2)4 has c 1 = 2.7522 (4) Å and sublattice 2 of composition (M 2Cu2O3)4 has c 2 = 3.9155 (5) Å; superspace group F222(001 + γ)001; modulation vector q l = γc2* with γ = 0.7029 (2). The structural analysis has been based on 603 main reflections, 428 first-order and 64 second-order satellite reflections. The final residual is R = 0.0632 for all reflections, R = 0.0614 for main reflections, R = 0.0735 for first-order and R = 0.1084 for second-order satellite reflections; λ = 0.6565 Å, μ = 19.4 mm−l The satellite reflections have been collected with X-ray synchrotron radiation. In this context, special experimental problems are discussed. It is shown that the true satellite reflections, which are the satellite reflections that are not also main reflections for one of the sublattices, are necessary in the least-squares refinement in order to avoid large correlations between displacive modulation amplitudes and thermal vibration amplitudes and thus to obtain a reasonable coordination chemistry.

Structural analysis of simple base oils under high pressure using synchrotron radiation X-ray diffraction: First trial

2009 ◽  
Vol 42 (1) ◽  
pp. 88-92
Author(s):  
Tomoko Hirayama ◽  
Kazuaki Nemoto ◽  
Susumu Hayase ◽  
Yuka Mitsunaga ◽  
Takashi Matsuoka ◽  
...  
Keyword(s):  
High Pressure ◽  
Structural Analysis ◽  
Synchrotron Radiation ◽  
X Ray Diffraction ◽  
X Ray ◽  
Base Oils
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