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Related Concept Videos

X-ray Diffraction of Biological Samples01:10

X-ray Diffraction of Biological Samples

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X-ray diffraction or XRD is an analytical tool that utilizes X-rays to study ordered structures such as crystalline organic and inorganic samples, polycrystalline materials, proteins, carbohydrates, and drugs.
According to Bragg's law, when X-rays strike the sample positioned on a stage, the rays are  scattered by the electron clouds around the sample atoms. The  X-ray diffraction or scattering is caused by constructive interference of the X-ray waves that reflect off the internal...
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The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
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High Pressure Single Crystal Diffraction at PX^2
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Exploring high-throughput synchrotron X-Ray powder diffraction for the structural analysis of pharmaceuticals.

M Reinle-Schmitt1, D Šišak Jung2, M Morin1

  • 1Excelsus Structural Solutions (Swiss) AG, PARK INNOVAARE, 5234 Villigen, Switzerland.

International Journal of Pharmaceutics: X
|December 26, 2023
PubMed
Summary

High-throughput synchrotron X-Ray Powder Diffraction (s-XRPD) offers rapid, high-quality pharmaceutical analysis. This technology makes complex synchrotron measurements more accessible and cost-effective for routine use.

Keywords:
Beamline automatisationHigh-throughputPolymorphismSynchrotronX-ray powder diffraction

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Area of Science:

  • Materials Science
  • Analytical Chemistry
  • Pharmaceutical Sciences

Background:

  • Synchrotron radiation provides superior properties like high brightness and coherence over conventional sources.
  • Historically, synchrotron facilities faced challenges in accessibility and operational complexity, limiting routine use.
  • Recent advancements in technology transfer and high-throughput systems are improving synchrotron accessibility.

Purpose of the Study:

  • To investigate the practical applications of synchrotron X-Ray Powder Diffraction (s-XRPD) in pharmaceutical analysis.
  • To demonstrate the potential of high-throughput s-XRPD systems in revolutionizing pharmaceutical analysis.
  • To assess the quality and comparability of s-XRPD data with laboratory-based XRPD.

Main Methods:

  • Utilized high-throughput synchrotron X-Ray Powder Diffraction (s-XRPD) systems.
  • Analyzed pharmaceutical active ingredients (API) and excipients.
  • Performed structural refinements and compared unit cell parameters with literature data.

Main Results:

  • High-throughput s-XRPD systems generated XRPD patterns of comparable or superior quality to laboratory XRPD in under 5 seconds.
  • Demonstrated the feasibility of high-throughput analysis for well-established pharmaceutical compounds.
  • Confirmed data quality through structural refinements aligning with existing literature.

Conclusions:

  • High-throughput s-XRPD has the potential to revolutionize pharmaceutical analysis by offering rapid, high-quality data.
  • Synchrotron data quality does not always need to be state-of-the-art to compete with lab-XRPD.
  • User-friendliness, reproducibility, accessibility, and cost-effectiveness are key for synchrotron instrumentation to be competitive.