Synchrotron X-ray Microdiffraction and Fluorescence Imaging of Mineral and Rock Samples.

In this report, we describe a detailed procedure for acquiring and processing x-ray microfluorescence (µXRF), and Laue and powder microdiffraction two-dimensional (2D) maps at beamline 12.3.2 of the Advanced Light Source (ALS), Lawrence Berkeley National Laboratory. Measurements can be performed on any sample that is less than 10 cm x 10 cm x 5 cm, with a flat exposed surface. The experimental geometry is calibrated using standard materials (elemental standards for XRF, and crystalline samples such as Si, quartz, or Al2O3 for diffraction). Samples are aligned to the focal point of the x-ray microbeam, and raster scans are performed, where each pixel of a map corresponds to one measurement, e.g., one XRF spectrum or one diffraction pattern. The data are then processed using the in-house developed software XMAS, which outputs text files, where each row corresponds to a pixel position. Representative data from moissanite and an olive snail shell are presented to demonstrate data quality, collection, and analysis strategies.

Stress Distribution During Cold Compression of Rocks and Mineral Aggregates Using Synchrotron-based X-Ray Diffraction.

We report detailed procedures for performing compression experiments on rocks and mineral aggregates within a multi-anvil deformation apparatus (D-DIA) coupled with synchrotron X-radiation. A cube-shaped sample assembly is prepared and compressed, at room temperature, by a set of four X-ray transparent sintered diamond anvils and two tungsten carbide anvils, in the lateral and the vertical planes, respectively. All six anvils are housed within a 250-ton hydraulic press and driven inward simultaneously by two wedged guide blocks. A horizontal energy dispersive X-ray beam is projected through and diffracted by the sample assembly. The beam is commonly in the mode of either white or monochromatic X-ray. In the case of white X-ray, the diffracted X-rays are detected by a solid-state detector array that collects the resulting energy dispersive diffraction pattern. In the case of monochromatic X-ray, the diffracted pattern is recorded using a two-dimensional (2-D) detector, such as an imaging plate or a charge-coupled device (CCD) detector. The 2-D diffraction patterns are analyzed to derive lattice spacings. The elastic strains of the sample are derived from the atomic lattice spacing within grains. The stress is then calculated using the predetermined elastic modulus and the elastic strain. Furthermore, the stress distribution in two-dimensions allow for understanding how stress is distributed in different orientations. In addition, a scintillator in the X-ray path yields a visible light image of the sample environment, which allows for the precise measurement of sample length changes during the experiment, yielding a direct measurement of volume strain on the sample. This type of experiment can quantify the stress distribution within geomaterials, which can ultimately shed light on the mechanism responsible for compaction. Such knowledge has the potential to significantly improve our understanding of key processes in rock mechanics, geotechnical engineering, mineral physics, and material science applications where compactive processes are important.

Using Synchrotron-Based Approaches To Examine the Foliar Application of ZnSO4 and ZnO Nanoparticles for Field-Grown Winter Wheat.

The effects of foliar-applied ZnO nanoparticles (ZnO NPs) and ZnSO4 on the winter wheat ( Triticum aestivum L.) grain yield and grain quality were studied under field conditions, with the distribution and speciation of Zn within the grain examined using synchrotron-based X-ray fluorescence microscopy and X-ray absorption spectroscopy. Although neither of the two Zn compounds improved the grain yield or quality, both increased the grain Zn concentration (average increments were 5 and 10 mg/kg for ZnSO4 and ZnO NP treatments, respectively). Across all treatments, this Zn was mainly located within the aleurone layer and crease of the grain, although the application of ZnO NPs also slightly increased Zn within the endosperm. This Zn within the grain was found to be present as Zn phosphate, regardless of the form in which Zn was applied. These results indicate that the foliar application of ZnO NPs appears to be a promising approach for Zn biofortification, as required to improve human health.

Induced Radioactivity in Lead Shielding at the National Synchrotron Light Source.

The National Synchrotron Light Source (NSLS) at Brookhaven National Laboratory was shut down in September 2014. Lead bricks used as radiological shadow shielding within the accelerator were exposed to stray radiation fields during normal operations. The FLUKA code, a fully integrated Monte Carlo simulation package for the interaction and transport of particles and nuclei in matter, was used to estimate induced radioactivity in this shielding and stainless steel beam pipe from known beam losses. The FLUKA output was processed using MICROSHIELD® to estimate on-contact exposure rates with individually exposed bricks to help design and optimize the radiological survey process. This entire process can be modeled using FLUKA, but use of MICROSHIELD® as a secondary method was chosen because of the project's resource constraints. Due to the compressed schedule and lack of shielding configuration data, simple FLUKA models were developed. FLUKA activity estimates for stainless steel were compared with sampling data to validate results, which show that simple FLUKA models and irradiation geometries can be used to predict radioactivity inventories accurately in exposed materials. During decommissioning 0.1% of the lead bricks were found to have measurable levels of induced radioactivity. Post-processing with MICROSHIELD® provides an acceptable secondary method of estimating residual exposure rates.

Computational fluid dynamics of cerebral aneurysm coiling using high-resolution and high-energy synchrotron X-ray microtomography: comparison with the homogeneous porous medium approach.

BACKGROUND: Computational modeling of intracranial aneurysms provides insights into the influence of hemodynamics on aneurysm growth, rupture, and treatment outcome. Standard modeling of coiled aneurysms simplifies the complex geometry of the coil mass into a homogeneous porous medium that fills the aneurysmal sac. We compare hemodynamics of coiled aneurysms modeled from high-resolution imaging with those from the same aneurysms modeled following the standard technique, in an effort to characterize sources of error from the simplified model. MATERIALS: Physical models of two unruptured aneurysms were created using three-dimensional printing. The models were treated with coil embolization using the same coils as those used in actual patient treatment and then scanned by synchrotron X-ray microtomography to obtain high-resolution imaging of the coil mass. Computational modeling of each aneurysm was performed using patient-specific boundary conditions. The coils were modeled using the simplified porous medium or by incorporating the X-ray imaged coil surface, and the differences in hemodynamic variables were assessed. RESULTS: X-ray microtomographic imaging of coils and incorporation into computational models were successful for both aneurysms. Porous medium calculations of coiled aneurysm hemodynamics overestimated intra-aneurysmal flow, underestimated oscillatory shear index and viscous dissipation, and over- or underpredicted wall shear stress (WSS) and WSS gradient compared with X-ray-based coiled computational fluid dynamics models. CONCLUSIONS: Computational modeling of coiled intracranial aneurysms using the porous medium approach may inaccurately estimate key hemodynamic variables compared with models incorporating high-resolution synchrotron X-ray microtomographic imaging of complex aneurysm coil geometry.

Distribution and chemical speciation of arsenic in ancient human hair using synchrotron radiation.

Pre-Columbian populations that inhabited the Tarapacá mid river valley in the Atacama Desert in Chile during the Middle Horizon and Late Intermediate Period (AD 500-1450) show patterns of chronic poisoning due to exposure to geogenic arsenic. Exposure of these people to arsenic was assessed using synchrotron-based elemental X-ray fluorescence mapping, X-ray absorption spectroscopy, X-ray diffraction and Fourier transform infrared spectromicroscopy measurements on ancient human hair. These combined techniques of high sensitivity and specificity enabled the discrimination between endogenous and exogenous processes that has been an analytical challenge for archeological studies and criminal investigations in which hair is used as a proxy of premortem metabolism. The high concentration of arsenic mainly in the form of inorganic As(III) and As(V) detected in the hair suggests chronic arsenicism through ingestion of As-polluted water rather than external contamination by the deposition of heavy metals due to metallophilic soil microbes or diffusion of arsenic from the soil. A decrease in arsenic concentration from the proximal to the distal end of the hair shaft analyzed may indicate a change in the diet due to mobility, though chemical or microbiologically induced processes during burial cannot be entirely ruled out.

Biological equivalent dose studies for dose escalation in the stereotactic synchrotron radiation therapy clinical trials.

Synchrotron radiation is an innovative tool for the treatment of brain tumors. In the stereotactic synchrotron radiation therapy (SSRT) technique a radiation dose enhancement specific to the tumor is obtained. The tumor is loaded with a high atomic number (Z) element and it is irradiated in stereotactic conditions from several entrance angles. The aim of this work was to assess dosimetric properties of the SSRT for preparing clinical trials at the European Synchrotron Radiation Facility (ESRF). To estimate the possible risks, the doses received by the tumor and healthy tissues in the future clinical conditions have been calculated by using Monte Carlo simulations (PENELOPE code). The dose enhancement factors have been determined for different iodine concentrations in the tumor, several tumor positions, tumor sizes, and different beam sizes. A scheme for the dose escalation in the various phases of the clinical trials has been proposed. The biological equivalent doses and the normalized total doses received by the skull have been calculated in order to assure that the tolerance values are not reached.

High-throughput sample handling and data collection at synchrotrons: embedding the ESRF into the high-throughput gene-to-structure pipeline.

An automatic data-collection system has been implemented and installed on seven insertion-device beamlines and a bending-magnet beamline at the ESRF (European Synchrotron Radiation Facility) as part of the SPINE (Structural Proteomics In Europe) development of an automated structure-determination pipeline. The system allows remote interaction with beamline-control systems and automatic sample mounting, alignment, characterization, data collection and processing. Reports of all actions taken are available for inspection via database modules and web services.

Protein Data Bank depositions from synchrotron sources.

A survey and analysis of Protein Data Bank (PDB) depositions from international synchrotron radiation facilities, based on the latest released PDB entries, are reported. The results (http://asdp.bnl.gov/asda/Libraries/) show that worldwide, every year since 1999, more than 50% of the deposited X-ray structures have used synchrotron facilities, reaching 75% by 2003. In this web-based database, all PDB entries among individual synchrotron beamlines are archived, synchronized with the weekly PDB release. Statistics regarding the quality of experimental data and the refined model for all structures are presented, and these are analysed to reflect the impact of synchrotron sources. The results confirm the common impression that synchrotron sources extend the size of structures that can be solved with equivalent or better quality than home sources.

Physical specifications of clinical proton beams from a synchrotron.

Tumor treatment with charged particle beams is a quickly developing field aimed to translate the potential advantages offered by the superior physical dose distribution and relative biological effectiveness of heavy charged particles into a real improvement of tumor therapy. To this purpose the new proton and light-ion radiation therapy facilities must be designed according to strict clinical specifications to provide a reliable and effective tool against cancer. This paper provides the performance specifications of the accelerator and of the beam transport and delivery systems of the Italian Hadrontherapy Centre, which should be satisfied to meet the clinical specifications. A discussion is given on the requirements on energy range, energy variability, beam intensity, lateral penumbra, distal dose falloff, source-to-surface distance, time structure of the extracted beam, raster scanning system specifications, and beam abort time. Though the physical specifications are given for a particular accelerator, they can be used as a general guideline for the design of future biomedical particle accelerator facilities.