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Crystal Growth: Principles of Crystallization01:25

Crystal Growth: Principles of Crystallization

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Crystallization is a phase transformation process in which crystals are precipitated from a supersaturated solution or formed from other sources. During crystallization, atoms or molecules arrange themselves into a well-defined, rigid crystal lattice to minimize energy.
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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.
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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...
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Recrystallization is a purification technique used to separate impurities from solid compounds. In this technique, no chemical reactions occur. Instead, it exploits physical properties only, specifically, the solubility differences between the desired compound and impurities, either at a single temperature or at different temperatures, and under other selected conditions. The solid-solution equilibrium (solubility equilibrium) of each component in the solution represents a binary phase...
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Related Experiment Video

Updated: Mar 21, 2026

Author Spotlight: High-Throughput Screening to Obtain Crystal Hits for Protein Crystallography
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Author Spotlight: High-Throughput Screening to Obtain Crystal Hits for Protein Crystallography

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Theoretical Perspectives for Biomolecular Crystallization Prediction.

James F Lutsko1

  • 1Center for Nonlinear Phenomena and Complex Systems, Université Libre de Bruxelles, Brussels, Belgium. jim.lutsko@ulb.be.

Advances in Biochemical Engineering/Biotechnology
|March 20, 2026
PubMed
Summary
This summary is machine-generated.

Modern theories explain complex crystallization, including metastable precursors and nonclassical nucleation. Classical density functional theory (cDFT) now predicts crystal structures and thermodynamics from molecular interactions, advancing nucleation dynamics understanding.

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Area of Science:

  • Physical Chemistry
  • Materials Science
  • Biophysics

Background:

  • Biocrystallization research reveals complex phenomena like metastable precursors and nonclassical nucleation pathways.
  • Classical nucleation theory, based on Gibbs' thermodynamic model, has limitations in explaining these complex behaviors.

Purpose of the Study:

  • To describe modern theoretical developments addressing challenges in crystallization thermodynamics and dynamics.
  • To introduce classical density functional theory (cDFT) for ab initio prediction of crystal structures and thermodynamics.
  • To present a dynamical description of nucleation incorporating molecular-level thermodynamics to explain nonclassical pathways.

Main Methods:

  • Recalling Gibbs' thermodynamic model and the van der Waals diffuse interface model.
  • Describing the development and application of classical density functional theory (cDFT).
  • Incorporating molecular-level thermodynamics into dynamical descriptions of thermal fluctuations for nucleation.

Main Results:

  • cDFT enables ab initio prediction of crystal structures and thermodynamics with molecular-level resolution.
  • The new dynamical approach predicts nonclassical nucleation pathways observed in experiments and simulations.
  • Nucleation rates can be predicted without relying on macroscopic concepts like order parameters.

Conclusions:

  • Modern theoretical methods, particularly cDFT, provide powerful tools for understanding crystallization at a molecular level.
  • These advancements resolve challenges posed by complex crystallization phenomena, including nonclassical nucleation.
  • The developed framework enhances the prediction of nucleation dynamics and rates, bridging theory and experimental observations.