scholarly journals Merging single-shot XFEL diffraction data from inorganic nanoparticles: a new approach to size and orientation determination

IUCrJ ◽  
2017 ◽  
Vol 4 (6) ◽  
pp. 741-750 ◽  
Author(s):  
Xuanxuan Li ◽  
John C. H. Spence ◽  
Brenda G. Hogue ◽  
Haiguang Liu
Keyword(s):  
Short Pulse ◽  
Dimensional Space ◽  
Imaging Techniques ◽  
Three Dimensional ◽  
Inorganic Nanoparticles ◽  
Scattering Data ◽  
Core Shell ◽  
Single Shot ◽  
X Ray ◽  
Data Merging

X-ray free-electron lasers (XFELs) provide new opportunities for structure determination of biomolecules, viruses and nanomaterials. With unprecedented peak brilliance and ultra-short pulse duration, XFELs can tolerate higher X-ray doses by exploiting the femtosecond-scale exposure time, and can thus go beyond the resolution limits achieved with conventional X-ray diffraction imaging techniques. Using XFELs, it is possible to collect scattering information from single particles at high resolution, however particle heterogeneity and unknown orientations complicate data merging in three-dimensional space. Using the Linac Coherent Light Source (LCLS), synthetic inorganic nanocrystals with a core–shell architecture were used as a model system for proof-of-principle coherent diffractive single-particle imaging experiments. To deal with the heterogeneity of the core–shell particles, new computational methods have been developed to extract the particle size and orientation from the scattering data to assist data merging. The size distribution agrees with that obtained by electron microscopy and the merged data support a model with a core–shell architecture.

Coating thickness determination in highly absorbent core–shell systems

2012 ◽  
Vol 45 (5) ◽  
pp. 906-913 ◽  
Author(s):  
Herve Palancher ◽  
Anne Bonnin ◽  
Veijo Honkimäki ◽  
Heikki Suhonen ◽  
Peter Cloetens ◽  
...  
Keyword(s):  
Coating Thickness ◽  
Protective Layer ◽  
Test Sample ◽  
High Energy ◽  
Core Shell ◽  
Single Shot ◽  
X Ray Diffraction ◽  
X Ray ◽  
Alloy Particles ◽  
Potential Applications

This article describes a single-shot methodology to derive an average coating thickness in multi-particle core–shell systems exhibiting high X-ray absorption. Powder composed of U–Mo alloy particles surrounded by a micrometre-thick UO2protective layer has been used as a test sample. Combining high-energy X-ray diffraction and laser granulometry, the average shell thickness could be accurately characterized. These results have been validated by additional measurements on single particles by two techniques: X-ray nanotomography and high-energy X-ray diffraction. The presented single-shot approach gives rise to many potential applications on core–shell systems and in particular on as-fabricated heterogeneous nuclear fuels.

scholarly journals Multi-Analytical Approach for Asbestos Minerals and Their Non-Asbestiform Analogues: Inferences from Host Rock Textural Constraints

Fibers ◽  
2019 ◽  
Vol 7 (5) ◽  
pp. 42 ◽  
Author(s):  
Gaia Maria Militello ◽  
Andrea Bloise ◽  
Laura Gaggero ◽  
Gabriele Lanzafame ◽  
Rosalda Punturo
Keyword(s):  
Energy Dispersive Spectrometry ◽  
Dimensional Space ◽  
Three Dimensional ◽  
Instrumental Approach ◽  
X Ray ◽  
Transmission Electron ◽  
Analytical Protocol ◽  
Non Destructive ◽  
Selection Of ◽  
Three Dimensional Space

Asbestos is a hazardous mineral, as well as a common and well-known issue worldwide. However, amphiboles equal in composition but not in morphology, as well as the fibrous antigorite and lizardite, are not classified as asbestos even if more common than other forms of the mineral. Still, their potential hazardous properties requires further exploration. The proposed multi-instrumental approach focuses on the influence of textural constraints on the subsequent origin of asbestiform products in massive rock. This aspect has a significant effect on diagnostic policies addressing environmental monitoring and the clinical perspective. Concerning minerals that are chemically and geometrically (length > 5 μm, width < 3 μm and length:diameter > 3:1) but not morphologically analogous to regulated asbestos, the debate about their potential hazardous properties is open and ongoing. Therefore, a selection of various lithotypes featuring the challenging identification of fibrous phases with critical counting dimensions was investigated; this selection consisted of two serpentinites, one metabasalt and one pyroxenite. The analytical protocol included optical microscopy (OM), scanning and transmission electron microscopy combined with energy dispersive spectrometry (SEM/EDS; TEM/EDS), micro-Raman spectroscopy and synchrotron radiation X-ray microtomography (SR X-ray μCT). The latter is an original non-destructive approach that allows the observation of the fiber arrangement in a three-dimensional space, avoiding morphological influence as a result of comminution.

scholarly journals Measurement of three-dimensional displacement field in piled embankments using synchrotron X-ray tomography

2019 ◽  
Vol 56 (6) ◽  
pp. 885-892 ◽  
Author(s):  
Louis King ◽  
Abdelmalek Bouazza ◽  
Anton Maksimenko ◽  
Will P. Gates ◽  
Stephen Dubsky
Keyword(s):  
High Resolution ◽  
Imaging Techniques ◽  
Three Dimensional ◽  
Physical Models ◽  
Scale Model ◽  
Small Scale ◽  
Full Field ◽  
X Ray ◽  
Wide Range ◽  
Piled Embankments

The measurement of displacement fields by nondestructive imaging techniques opens up the potential to study the pre-failure mechanisms of a wide range of geotechnical problems within physical models. With the advancement of imaging technologies, it has become possible to achieve high-resolution three-dimensional computed tomography volumes of relatively large samples, which may have previously resulted in excessively long scan times or significant imaging artefacts. Imaging of small-scale model piled embankments (142 mm diameter) comprising sand was undertaken using the imaging and medical beamline at the Australian Synchrotron. The monochromatic X-ray beam produced high-resolution reconstructed volumes with a fine texture due to the size and mineralogy of the sand grains as well as the phase contrast enhancement achieved by the monochromatic X-ray beam. The reconstructed volumes were well suited to the application of digital volume correlation, which utilizes cross-correlation techniques to estimate three-dimensional full-field displacement vectors. The output provides insight into the strain localizations that develop within piled embankments and an example of how advanced imaging techniques can be utilized to study the kinematics of physical models.

scholarly journals Virtual paleontology: computer-aided analysis of fossil form and function

2014 ◽  
Vol 88 (4) ◽  
pp. 633-635 ◽  
Author(s):  
Imran A. Rahman ◽  
Selena Y. Smith
Keyword(s):  
Imaging Techniques ◽  
Three Dimensional ◽  
Fossil Plants ◽  
Element Analysis ◽  
X Ray ◽  
Form And Function ◽  
Wide Range ◽  
History Of ◽  
Micro Tomography ◽  
And Function

‘Virtual paleontology’ entails the use of computational methods to assist in the three-dimensional (3-D) visualization and analysis of fossils, and has emerged as a powerful approach for research on the history of life. Three-dimensional imaging techniques allow poorly understood or previously unknown anatomies of fossil plants, invertebrates, and vertebrates, as well as microfossils and trace fossils, to be described in much greater detail than formerly possible, and are applicable to a wide range of preservation types and specimen sizes (Table 1). These methods include non-destructive high-resolution scanning technologies such as conventional X-ray micro-tomography and synchrotron-based X-ray tomography. In addition, form and function can be rigorously investigated through quantitative analysis of computer models, for example finite-element analysis.

scholarly journals Degradation of Methylene Blue Dye in the Presence of Visible Light Using SiO2@α-Fe2O3 Nanocomposites Deposited on SnS2 Flowers

2018 ◽  
Author(s):  
Sridharan Balu ◽  
Kasimayan Uma ◽  
Guan-Ting Pan ◽  
Thomas C.-K. Yang ◽  
Sayee Kannan Ramaraj
Keyword(s):  
Methylene Blue ◽  
Three Dimensional ◽  
Semiconductor Materials ◽  
Blue Dye ◽  
Core Shell ◽  
Methylene Blue Dye ◽  
X Ray Diffraction ◽  
Facile Hydrothermal Method ◽  
X Ray ◽  
Scanning Electron

Semiconductor materials have been shown to have better photocatalytic behavior and can be utilized for the photodegradation of organic pollutants. In this work, three-dimensional flower-like SnS2 were synthesized by a facile hydrothermal method. Core-shell structured SiO2@&alpha;-Fe2O3 nanocomposites were then deposited on the top of the SnS2 flowers. The as-synthesized nanocomposites were characterized by X-ray diffraction (XRD), Raman spectroscopy, field emission scanning electron microscopy (FE-SEM), Brunauer-Emmett-Teller (BET) and photoluminescence spectroscopy (PL). The photocatalytic behavior of the SnS2-SiO2@&alpha;-Fe2O3 nanocomposites was observed by observing the degradation of methylene blue (MB). The results show an effective enhancement of photocatalytic activity for the degradation of MB especially for the 15 wt. % SiO2@&alpha;-Fe2O3 nanocomposites on SnS2 flowers.

scholarly journals Two practical Java software tools for small-angle X-ray scattering analysis of biomolecules

2014 ◽  
Vol 47 (2) ◽  
pp. 810-815 ◽  
Author(s):  
Andreas Hofmann ◽  
Andrew E. Whitten
Keyword(s):  
Small Angle ◽  
Three Dimensional ◽  
Small Angle Scattering ◽  
Ease Of Use ◽  
Scattering Data ◽  
X Ray ◽  
X Ray Scattering ◽  
Angle Scattering ◽  
Three Dimensional Models ◽  
Ray Scattering

Small-angle X-ray scattering has established itself as a common technique in structural biology research. Here, two novel Java applications to aid modelling of three-dimensional macromolecular structures based on small-angle scattering data are described.MolScatis an application that computes small-angle scattering intensities from user-provided three-dimensional models. The program can fit the theoretical scattering intensities to experimental X-ray scattering data.SAFIRis a program for interactive rigid-body modelling into low-resolution shapes restored from small-angle scattering data. The program has been designed with an emphasis on ease of use and intuitive handling. An embedded version ofMolScatis used to enable quick evaluation of the fit between the model and experimental scattering data.SAFIRalso provides options to refine macromolecular complexes with optional user-specified restraints against scattering data by means of a Monte Carlo approach.

A new algorithm for the reconstruction of protein molecular envelopes from X-ray solution scattering data

2019 ◽  
Vol 52 (5) ◽  
pp. 937-944
Author(s):  
John Badger
Keyword(s):  
Protein Structures ◽  
Three Dimensional ◽  
Protein Molecule ◽  
Scattering Data ◽  
Data Sets ◽  
Low Resolution ◽  
Jones Potential ◽  
X Ray ◽  
Pair Distance Distribution Function ◽  
Protein Shape

At sufficiently low resolution, the scattering density within the volume occupied by a well folded protein molecule appears relatively flat. By enforcing this condition, three-dimensional protein molecular envelopes may be reconstructed using information obtained from X-ray solution scattering profiles. A practical approach for solving the low-resolution structures of protein molecules from solution scattering data involves modelling the protein shape using a set of volume-filling points (`beads') and transforming the scattering data to a more convenient target, the pair distance distribution function, P(r). Using algorithms described here, the beads interact via a modified Lennard–Jones potential and their positions are adjusted and confined until they fit the expected protein volume and agreement with P(r) is obtained. This methodology allows the protein volume to be modelled by an arbitrary, user-defined number of beads, enabling the rapid reconstruction of protein structures of widely varying sizes. Tests carried out with a variety of synthetic and experimental data sets show that this approach gives efficient and reliable determinations of protein molecular envelopes.

scholarly journals A Medipix quantum area detector allows rotation electron diffraction data collection from submicrometre three-dimensional protein crystals

2013 ◽  
Vol 69 (7) ◽  
pp. 1223-1230 ◽  
Author(s):  
Igor Nederlof ◽  
Eric van Genderen ◽  
Yao-Wang Li ◽  
Jan Pieter Abrahams
Keyword(s):  
Electron Diffraction ◽  
Data Collection ◽  
Diffraction Data ◽  
Three Dimensional ◽  
Protein Crystal ◽  
Protein Crystals ◽  
Electron Diffraction Data ◽  
Single Shot ◽  
X Ray ◽  
Area Detector

When protein crystals are submicrometre-sized, X-ray radiation damage precludes conventional diffraction data collection. For crystals that are of the order of 100 nm in size, at best only single-shot diffraction patterns can be collected and rotation data collection has not been possible, irrespective of the diffraction technique used. Here, it is shown that at a very low electron dose (at most 0.1 e− Å−2), a Medipix2 quantum area detector is sufficiently sensitive to allow the collection of a 30-frame rotation series of 200 keV electron-diffraction data from a single ∼100 nm thick protein crystal. A highly parallel 200 keV electron beam (λ = 0.025 Å) allowed observation of the curvature of the Ewald sphere at low resolution, indicating a combined mosaic spread/beam divergence of at most 0.4°. This result shows that volumes of crystal with low mosaicity can be pinpointed in electron diffraction. It is also shown that strategies and data-analysis software (MOSFLMandSCALA) from X-ray protein crystallography can be used in principle for analysing electron-diffraction data from three-dimensional nanocrystals of proteins.

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