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Related Concept Videos

Determination of Crystal Structures01:29

Determination of Crystal Structures

In the late 1800s, the revelation that light extended beyond visible wavelengths led to the discovery of X-rays by Wilhelm Roentgen. Recognized as high-energy electromagnetic radiation with short wavelengths, X-rays prompted exploration into their interaction with crystals. Max von Laue proposed in 1912 that the periodic arrangement of atoms, ions, or molecules in crystals would cause them to diffract X-rays, a hypothesis confirmed through experiments with copper sulfate and zinc sulfide...
X-ray Crystallography02:18

X-ray Crystallography

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...
X-ray Diffraction of Biological Samples01:10

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...
Atomic Structure01:33

Atomic Structure

Overview
Electron Microscope Tomography and Single-particle Reconstruction01:07

Electron Microscope Tomography and Single-particle Reconstruction

Transmission electron microscopy (TEM) can be used to determine the 3D structure of biological samples with the help of techniques such as electron microscope tomography and single-particle reconstruction. While single-particle reconstruction can examine macromolecules and macromolecular complexes in vitro conditions only, tomography permits the study of cell components or small cells in vivo.
Electron Tomography
Electron tomography can be performed either in TEM or STEM (scanning transmission...
Newman Projections02:06

Newman Projections

Different notations are used to represent the three-dimensional structure of molecules on two-dimensional surfaces. One of the most commonly used representations is the dash-wedge formula. The dashed wedges, solid wedges, and the plane lines indicate the groups situated behind the plane, coming out of the plane, and in the plane, respectively.
The organic molecules rotate across the single bonds leading to numerous temporary three-dimensional structures of varying energy known as conformers.

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Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
14:55

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy

Published on: September 17, 2017

Direct atomic structure determination by the inspection of structural phase.

Philip N H Nakashima1, Alexander F Moodie, Joanne Etheridge

  • 1Department of Materials Engineering, Monash University, VIC 3800, Australia. philip.nakashima@monash.edu

Proceedings of the National Academy of Sciences of the United States of America
|August 14, 2013
PubMed
Summary

Atomic structure determination can now bypass measuring diffracted intensities. Researchers can directly observe crystallographic phases in electron diffraction patterns for rapid, high-resolution atomic structure analysis.

Keywords:
3-beam diffractionCBEDconvergent beam electron diffractioncrystallographic phase problem

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Area of Science:

  • Crystallography
  • Materials Science
  • Electron Microscopy

Background:

  • Atomic structure determination traditionally relies on measuring diffracted intensities.
  • Iterative and statistical methods have been used for over a century since Bragg's initial work.
  • Existing methods require extensive data collection and processing.

Purpose of the Study:

  • To introduce a novel method for atomic structure determination.
  • To demonstrate a paradigm shift in structure determination by utilizing crystallographic phases.
  • To determine centrosymmetric atomic structures directly from electron diffraction patterns.

Main Methods:

  • Observation of crystallographic phases in electron diffraction patterns.
  • Direct determination of atomic structures without measuring diffracted intensities.
  • Application of the method to α-Al2O3 (corundum).

Main Results:

  • Centrosymmetric atomic structures can be determined directly from observed phases.
  • High resolution (< 0.1 Å) is achievable with only a few observed phases (e.g., nine for α-Al2O3).
  • This method bypasses the need to measure or record diffracted intensities, significantly reducing data requirements.

Conclusions:

  • A new paradigm for atomic structure determination has been established.
  • Direct observation of crystallographic phases offers a faster and more efficient route to high-resolution structures.
  • This technique has broad implications for materials science and crystallography.