The discovery of ligands that bind specifically to a targeted protein benefits from the development of generic assays for high-throughput screening of a library of chemicals. Protein powder diffraction (PPD) has been proposed as a potential method for use as a structure-based assay for high-throughput screening applications. Building on this effort, powder samples of bound/unbound states of sol...

Anisotropic line-shape broadening (peak width which is not a smooth function of d-spacing) is frequently observed in powder diffraction patterns, and can be a source of considerable dif®culty for whole-pattern ®tting or Rietveld analysis. A model of the multi-dimensional distribution of lattice metrics within a powder sample is developed, leading naturally to a few parameters which can be varie...

A second addition of lmol% of CoO to a pre calcined SnO2-based ceramic doped with 1.0mol% of CoO, 0.05mol% of Nb2O5 and 0.05mol% of Cr2O3 promotes the appearance of a secondary phase, Co2SnO4, besides the SnO2 cassiterite phase, when the ceramic was sintered at 1350°C/2h. This was observed using X-ray powder diffraction, scanning electron microscopy and energy dispersive X-ray techniques. Rietv...

High permittivity barium titanate zirconate (BTZ) is often used for dielectrics in commercial multilayer ceramic capacitors, actuators applications, and is a highly promising material for dynamic random access memory (DRAM) and microelectromechanical system (MEMS) applications due to its very stable, high insulating characteristic against voltage. Especially, the material is promising for envir...

The correlation between structural and optical properties of nanocrystalline ZnO synthesized by the citrate precursor method has been investigated. The Rietveld refinement of X-ray diffraction pattern confirms the P63mc space group and formation of single phase hexagonal wurtzite structure with presence of tensile strain at the lattice site. The presence of Raman active optical phonon mode at 4...

The method of angular- and wavelength-dispersive (e.g. two-dimensional) Rietveld refinement is a new and emerging tool for the analysis of neutron diffraction data measured at time-of-flight instruments with large area detectors. Following the approach for one-dimensional refinements (using either scattering angle or time of flight), the first step at each beam time cycle is the calibration of ...