scholarly journals Structure determination of thiacyanine dye J-aggregates in thin films: Comparison between spectroscopy and wide angle X-ray scattering

2004 ◽  
Vol 6 (13) ◽  
pp. 3309 ◽  
Author(s):  
G. Busse ◽  
B. Frederichs ◽  
N. Kh. Petrov ◽  
S. Techert
Keyword(s):  
Thin Films ◽  
Structure Determination ◽  
Wide Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
J Aggregates ◽  
Ray Scattering

scholarly journals Combining solution wide-angle X-ray scattering and crystallography: determination of molecular envelope and heavy-atom sites

2009 ◽  
Vol 42 (2) ◽  
pp. 259-264 ◽  
Author(s):  
Xinguo Hong ◽  
Quan Hao
Keyword(s):  
Structure Determination ◽  
Heavy Atom ◽  
Unit Cell ◽  
Wide Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Molecular Envelope ◽  
Waxs Data ◽  
Ray Scattering

Solving the phase problem remains central to crystallographic structure determination. A six-dimensional search method of molecular replacement (FSEARCH) can be used to locate a low-resolution molecular envelope determined from small-angle X-ray scattering (SAXS) within the crystallographic unit cell. This method has now been applied using the higher-resolution envelope provided by combining SAXS and WAXS (wide-angle X-ray scattering) data. The method was tested on horse hemoglobin, using the most probable model selected from a set of a dozen bead models constructed from SAXS/WAXS data using the programGASBORat 5 Å resolution (qmax= 1.25 Å−1) to phase a set of single-crystal diffraction data. It was found that inclusion of WAXS data is essential for correctly locating the molecular envelope in the crystal unit cell, as well as for locating heavy-atom sites. An anomalous difference map was calculated using phases out to 8 Å resolution from the correctly positioned envelope; four distinct peaks at the 3.2σ level were identified, which agree well with the four iron sites of the known structure (Protein Data Bank code 1ns9). In contrast, no peaks could be found close to the iron sites if the molecular envelope was constructed using the data from SAXS alone (qmax= 0.25 Å−1). The initial phases can be used as a starting point for a variety of phase-extension techniques, successful application of which will result in complete phasing of a crystallographic data set and determination of the internal structure of a macromolecule to atomic resolution. It is anticipated that the combination ofFSEARCHand WAXS techniques will facilitate the initial structure determination of proteins and provide a good foundation for further structure refinement.

Determination of Strain Distributions in Aluminum Thin Films as a Function of Temperature by the use of Synchrotron Grazing Incidence X-Ray Scattering

1991 ◽  
Vol 239 ◽  
Author(s):  
Ramnath Venkatraman ◽  
Paul R. Besser ◽  
Sean Brennan ◽  
John C. Bravman
Keyword(s):  
Thin Films ◽  
Room Temperature ◽  
Grazing Incidence ◽  
Surface Relaxation ◽  
Line Broadening ◽  
X Ray ◽  
Relaxation Effects ◽  
X Ray Scattering ◽  
Ray Scattering

ABSTRACTWe have measured elastic strain distributions with depth as a function of temperature in Al thin films of various thicknesses on oxidized silicon using synchrotron grazing incidence X-ray scattering (GIXS). Disregarding minor surface relaxation effects that depend on the film thickness, it is shown that there are no gross strain gradients in these films in the range of temperatures (between room temperature and 400°C) considered. We also observe X-ray line broadening effects, suggesting an accumulation of dislocations on cooling the films, and their annealing out as the films are reheated.

scholarly journals Topological Structure Determination of RNA Using Small-Angle X-Ray Scattering

2017 ◽  
Vol 429 (23) ◽  
pp. 3635-3649 ◽  
Author(s):  
Yuba R. Bhandari ◽  
Lixin Fan ◽  
Xianyang Fang ◽  
George F. Zaki ◽  
Eric A. Stahlberg ◽  
...  
Keyword(s):  
Structure Determination ◽  
Small Angle ◽  
Topological Structure ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

scholarly journals Magnetic structure determination of Ca3LiOsO6using neutron and x-ray scattering

2012 ◽  
Vol 86 (5) ◽  
Author(s):  
S. Calder ◽  
M. D. Lumsden ◽  
V. O. Garlea ◽  
J. W. Kim ◽  
Y. G. Shi ◽  
...  
Keyword(s):  
Magnetic Structure ◽  
Structure Determination ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

A small/wide-angle X-ray scattering instrument for structural characterization of air–liquid interfaces, thin films and bulk specimens

2009 ◽  
Vol 43 (1) ◽  
pp. 110-121 ◽  
Author(s):  
U-Ser Jeng ◽  
Chiu Hun Su ◽  
Chun-Jen Su ◽  
Kuei-Fen Liao ◽  
Wei-Tsung Chuang ◽  
...  
Keyword(s):  
Thin Films ◽  
Lipid Vesicles ◽  
Wide Angle ◽  
Liquid Interfaces ◽  
Scanning Calorimetry ◽  
X Ray ◽  
Gas Detectors ◽  
X Ray Scattering ◽  
Ray Scattering

At the National Synchrotron Radiation Research Center, a small/wide-angle X-ray scattering (SAXS/WAXS) instrument has been installed at the BL23A beamline with a superconducting wiggler insertion device. This beamline is equipped with double Si(111) crystal and double Mo/B4C multilayer monochromators, and an Si-based plane mirror that can selectively deflect the beam downwards for grazing-incidence SAXS (GISAXS) studies of air–liquid or liquid–liquid interfaces. The SAXS/WAXS instrument, situated in an experimental hutch, comprises collimation, sample and post-sample stages. Pinholes and slits have been incorporated into the beam collimation system spanning a distance of ∼5 m. The sample stage can accommodate various sample geometries for air–liquid interfaces, thin films, and solution and solid samples. The post-sample section consists of a 1 m WAXS section with two linear gas detectors, a vacuum bellows (1–4 m), a two-beamstop system and the SAXS detector system, all situated on a motorized optical bench for motion in six degrees of freedom. In particular, the vacuum bellows of a large inner diameter (260 mm) provides continuous changes of the sample-to-detector distance under vacuum. Synchronized SAXS and WAXS measurements are realizedviaa data-acquisition protocol that can integrate the two linear gas detectors for WAXS and the area detector for SAXS (gas type or Mar165 CCD); the protocol also incorporates sample changing and temperature control for programmable data collection. The performance of the instrument is illustratedviaseveral different measurements, including (1) simultaneous SAXS/WAXS and differential scanning calorimetry for polymer crystallization, (2) structural evolution with a large ordering spacing of ∼250 nm in a supramolecular complex, (3) SAXS for polymer blends underin situdrawing, (4) SAXS and anomalous SAXS for unilamellar lipid vesicles and metalloprotein solutions, (5) anomalous GISAXS for oriented membranes of Br-labeled lipids embedded with peptides, and (6) GISAXS for silicate films formedin situat the air–water interface.

Structure determination of Pt-coated Au dumbbellsviafluctuation X-ray scattering

2012 ◽  
Vol 19 (5) ◽  
pp. 695-700 ◽  
Author(s):  
Gang Chen ◽  
Miguel A. Modestino ◽  
Billy K. Poon ◽  
André Schirotzek ◽  
Stefano Marchesini ◽  
...  
Keyword(s):  
Structure Determination ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

scholarly journals Insights into the Influence of Solvent Polarity on the Crystallization of Poly(ethylene oxide) Spin-Coated Thin Films viain SituGrazing Incidence Wide-Angle X-ray Scattering

2016 ◽  
Vol 49 (12) ◽  
pp. 4579-4586 ◽  
Author(s):  
Daniel T. W. Toolan ◽  
Anna Isakova ◽  
Richard Hodgkinson ◽  
Nik Reeves-McLaren ◽  
Oliver S. Hammond ◽  
...  
Keyword(s):  
Thin Films ◽  
Ethylene Oxide ◽  
Solvent Polarity ◽  
Wide Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Poly Ethylene Oxide ◽  
Poly Ethylene ◽  
Influence Of Solvent ◽  
Ray Scattering
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