Applications of Powder X-Ray Diffraction in Small Molecule Pharmaceuticals: Achievements and Aspirations

J Pharm Sci. 2018 Dec;107(12):2969-2982. doi: 10.1016/j.xphs.2018.08.010. Epub 2018 Aug 23.

Abstract

Since the discovery of X-ray diffraction and its potential to elucidate crystal symmetry, powder X-ray diffraction has found diverse applications in the field of pharmaceutical sciences. This review summarizes significant achievements of the technique during various stages of dosage form development. Improved understanding of the principle involved and development of automated hardware and reliable software have led to increased instrumental sensitivity and improved data analysis. These advances continue to expand the applications of powder X-ray diffraction to emerging research fields such as amorphous systems, mechanistic understanding of phase transformations, and "Quality by Design" in formulation development.

Keywords: formulations; phase transformations; physical characterization; polymorphism; powder X-ray diffraction.

Publication types

  • Review

MeSH terms

  • Crystallization
  • Drug Compounding
  • Equipment Design
  • Lasers
  • Pharmaceutical Preparations / chemistry*
  • Phase Transition
  • Powder Diffraction / instrumentation
  • Powder Diffraction / methods*
  • Small Molecule Libraries / chemistry
  • Synchrotrons / instrumentation
  • X-Ray Diffraction / instrumentation
  • X-Ray Diffraction / methods*

Substances

  • Pharmaceutical Preparations
  • Small Molecule Libraries