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$X-ray Diffraction of Biological Samples$ 01:10

X-ray Diffraction of Biological Samples

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 crystal...

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Light-driven Molecular Motors on Surfaces for Single Molecular Imaging

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Automated laboratory x-ray diffractometer and fluorescence spectrometer for high-throughput materials

Hyun Sang Park¹, Timothy Long¹, Michael Wall¹

¹Johns Hopkins University, Baltimore, Maryland 21218, USA.

The Review of Scientific Instruments

|June 24, 2026

Summary

A new automated instrument enables simultaneous X-ray diffraction and fluorescence spectroscopy for rapid materials characterization. This high-throughput system accelerates data generation for artificial intelligence and machine learning in materials research.

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In Situ Detection and Single Cell Quantification of Metal Oxide Nanoparticles Using Nuclear Microprobe Analysis

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Published on: February 3, 2018

Area of Science:

Materials Science
Analytical Chemistry
Instrumentation

Background:

Growing demand for automated, high-throughput characterization in materials research.
Need for rapid large dataset generation for AI and machine learning applications.
Limitations of existing techniques in speed and automation.

Purpose of the Study:

Introduce and evaluate a novel instrument for simultaneous X-ray diffraction (XRD) and X-ray fluorescence (XRF) spectroscopy.
Optimize the instrument for high-throughput studies of combinatorial specimens.
Demonstrate the instrument's capability in rapid dataset creation for materials research.

Main Methods:

Development of a new instrument integrating XRD and XRF spectroscopy.
Utilized a bright, focused, high-energy X-ray beam (24 keV) and a pixel array area detector for spatially resolved transmission diffraction.
Employed a silicon drift detector for spatially resolved elemental composition analysis via XRF.
Implemented fully automated specimen handling and data orchestration for autonomous processing.

Main Results:

Achieved spatially resolved (∼200 μm) diffraction measurements on thick specimens (>100 μm) with short exposure times (as low as 1 s).
Enabled simultaneous, spatially resolved elemental composition measurement using XRF.
Demonstrated high-throughput data generation through automated sample manipulation and data processing.
Successfully applied the instrument to a combinatorial study of Cu-Ti alloys.

Conclusions:

The developed instrument significantly enhances throughput for materials characterization.
Automated XRD and XRF spectroscopy facilitates rapid data acquisition for AI-driven materials discovery.
The system provides a powerful tool for combinatorial materials studies and large dataset generation.