scholarly journals Contemporary X-ray electron-density studies using synchrotron radiation

IUCrJ ◽  
2014 ◽  
Vol 1 (5) ◽  
pp. 267-280 ◽  
Author(s):  
Mads R. V. Jørgensen ◽  
Venkatesha R. Hathwar ◽  
Niels Bindzus ◽  
Nanna Wahlberg ◽  
Yu-Sheng Chen ◽  
...  
Keyword(s):  
Synchrotron Radiation ◽  
Diffraction Data ◽  
Bragg Diffraction ◽  
Anomalous Scattering ◽  
Future Directions ◽  
X Ray ◽  
Conventional Radiation ◽  
Radiation Sources ◽  
Systematic Effects

Synchrotron radiation has many compelling advantages over conventional radiation sources in the measurement of accurate Bragg diffraction data. The variable photon energy and much higher flux may help to minimize critical systematic effects such as absorption, extinction and anomalous scattering. Based on a survey of selected published results from the last decade, the benefits of using synchrotron radiation in the determination of X-ray electron densities are discussed, and possible future directions of this field are examined.

Determination of the Anomalous Scattering Factors in the Soft-X-ray Range using Diffraction from a Multilayer

1998 ◽  
Vol 31 (5) ◽  
pp. 700-707 ◽  
Author(s):  
L. Sève ◽  
J. M. Tonnerre ◽  
D. Raoux
Keyword(s):  
Fluorescence Yield ◽  
Bragg Diffraction ◽  
Anomalous Scattering ◽  
Total Electron Yield ◽  
Total Electron ◽  
X Ray ◽  
Scattering Factor ◽  
X Ray Absorption ◽  
Kronig Relation

Bragg diffraction from an Ag/Ni multilayer was used to determine independently both the real and imaginary parts of the anomalous scattering factor (ASF) around the NiLIIIandLIIedges in the soft-X-ray range. Huge resonant variations were observed with f'' reaching 55\,r_o and f' decreasing to −63 r_o at the NiLIIIedge. The independent measurements of f' and f'' are tested for coherency using the Kramers–Kronig relation. The f'' values are also compared with those derived from X-ray absorption methods such as total electron yield and fluorescence yield measurements.

Refinement of the crystal structure of sieleckiite and revision of its symmetry

2017 ◽  
Vol 81 (4) ◽  
pp. 917-922
Author(s):  
Peter Elliott
Keyword(s):  
Crystal Structure ◽  
Synchrotron Radiation ◽  
Single Crystal ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Aluminium Phosphate ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Phosphate Mineral

AbstractThe crystal structure of the copper aluminium phosphate mineral sieleckiite, Cu3Al4(PO4)2 (OH)12·2H2O, from the Mt Oxide copper mine, Queensland, Australia was solved from single-crystal X-ray diffraction data utilizing synchrotron radiation. Sieleckiite has monoclinic rather than triclinic symmetry as previously reported and is space group C2/m with unit-cell parameters a = 11.711(2), b = 6.9233(14), c = 9.828(2) Å, β = 92.88(3)°, V = 795.8(3) Å3and Z = 2. The crystal structure, which has been refined to R1 = 0.0456 on the basis of 1186 unique reflections with Fo > 4σF, is a framework of corner-, edge- and face- sharing Cu and Al octahedra and PO4 tetrahedra.

X‐ray determination of the Debye temperature at high pressure using high‐energy synchrotron radiation

1990 ◽  
Vol 68 (6) ◽  
pp. 2719-2722 ◽  
Author(s):  
A. Matsumuro ◽  
M. Kobayashi ◽  
T. Kikegawa ◽  
M. Senoo
Keyword(s):  
High Pressure ◽  
Synchrotron Radiation ◽  
Debye Temperature ◽  
High Energy ◽  
X Ray

scholarly journals Crystallization and X-ray diffraction data analysis of human deoxyhaemoglobin A0 fully stripped of any anions

1999 ◽  
Vol 55 (11) ◽  
pp. 1914-1916 ◽  
Author(s):  
F. A. V. Seixas ◽  
W. F. de Azevedo ◽  
M. F. Colombo
Keyword(s):  
Diffraction Data ◽  
Oxygen Affinity ◽  
X Ray Diffraction ◽  
Structural Explanation ◽  
Human Haemoglobin ◽  
X Ray ◽  
High Resolution Structure ◽  
Allosteric Properties

In this work, initial crystallographic studies of human haemoglobin (Hb) crystallized in isoionic and oxygen-free PEG solution are presented. Under these conditions, functional measurements of the O2-linked binding of water molecules and release of protons have evidenced that Hb assumes an unforeseen new allosteric conformation. The determination of the high-resolution structure of the crystal of human deoxy-Hb fully stripped of anions may provide a structural explanation for the role of anions in the allosteric properties of Hb and, particularly, for the influence of chloride on the Bohr effect, the mechanism by which Hb oxygen affinity is regulated by pH. X-ray diffraction data were collected to 1.87 Å resolution using a synchrotron-radiation source. Crystals belong to the space group P21212 and preliminary analysis revealed the presence of one tetramer in the asymmetric unit. The structure is currently being refined using maximum-likelihood protocols.

scholarly journals X‐ray monochromator system for use with synchrotron radiation sources

1981 ◽  
Vol 52 (4) ◽  
pp. 509-516 ◽  
Author(s):  
J. A. Golovchenko ◽  
R. A. Levesque ◽  
P. L. Cowan
Keyword(s):  
Synchrotron Radiation ◽  
X Ray ◽  
Radiation Sources

Determination of the alloying content in the matrix of Zr alloys using synchrotron radiation microprobe X-ray fluorescence

2003 ◽  
Vol 321 (2-3) ◽  
pp. 221-232 ◽  
Author(s):  
A Yilmazbayhan ◽  
O Delaire ◽  
A.T Motta ◽  
R.C Birtcher ◽  
J.M Maser ◽  
...  
Keyword(s):  
Synchrotron Radiation ◽  
X Ray ◽  
The Matrix ◽  
Zr Alloys

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...

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