Investigation of the multi-step dehydration reaction of theophylline monohydrate using 2-dimensional powder X-ray diffractometry.

Purpose: (i) To study the dehydration kinetics of theophylline monohydrate using 2-dimensional (2D) powder X-ray diffractometry (XRD), and (ii) to investigate the effect of polyvinylpyrrolidone (PVP) on the dehydration pathway and kinetics.

Methods: Theophylline monohydrate (C(7)H(8)N(4)O(2).H(2)O; M) was recrystallized from aqueous PVP solutions of different concentrations.

Micro-SAXS and force/strain measurements during the tensile deformation of single struts of an elastomeric polyurethane foam.

A microdeformation stage based on a piezoelectric crystal actuator capable of measuring the force applied to micrometre-sized polymeric samples is described. Laboratory force/strain measurements on a single strut of an elastomeric polyurethane foam have been conducted for the first time. The device has also been used on the microfocus beamline at the European Synchrotron Radiation Facility to collect microbeam small-angle X-ray scattering data simultaneously with strain and force measurements during the time-resolved tensile deformation of a single strut of elastomeric polyurethane foam.

Quantification of crystallinity in substantially amorphous materials by synchrotron X-ray powder diffractometry.

Purpose: The aim of this study was to develop a highly sensitive powder X-ray diffraction (XRD) technique for quantification of crystallinity in substantially amorphous pharmaceuticals, utilizing synchrotron radiation and a 2-D area detector.

Methods: Diffraction data were acquired at the European Synchrotron Radiation Facility (France) using a 2-D charge-coupled device detector. The crystallization of amorphous sucrose was monitored in situ, isothermally at several temperatures in the range of 90 to 160 degrees C.

Water-DNA interactions as studied by X-ray and neutron fibre diffraction.

X-ray fibre-diffraction studies indicate a high degree of stereochemical specificity in interactions between water and the DNA double helix. Evidence for this comes from data that show that the molecular conformations assumed by DNA in fibres are highly reproducible and that the hydration-driven transitions between these conformations are fully reversible. These conformational transitions are induced by varying the relative humidity of the fibre environment and hence its water content.

Investigation of the variation in orientation and crystallinity in poly(ethylene terephthalate) containers using microfocus X-ray diffraction.

The microfocus X-ray beamline at the European Synchrotron Radiation Facility has been used to investigate the variation in molecular orientation and crystallinity in the wall of a container fabricated from poly(ethylene terephthalate). Two-dimensional wide-angle X-ray scattering patterns were recorded and displayed in real time as the specimen was tracked across the incident X-ray beam enabling the measurement of textural changes to be made with a spatial resolution of ~2 mum.