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Determination of Crystal Structures

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...

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Related Experiment Video

Updated: Mar 15, 2026

$On-Chip Crystallization and Large-Scale Serial Diffraction at Room Temperature$

On-Chip Crystallization and Large-Scale Serial Diffraction at Room Temperature

Published on: March 11, 2022

Developing a Gel-Based Sensor Using Crystal Morphology Prediction.

Gesine K Veits¹, Kelsey K Carter¹, Sarah J Cox¹

¹Department of Chemistry and Macromolecular Science and Engineering Program, University of Michigan , 930 North University Avenue, Ann Arbor, Michigan 48109-1055, United States.

Journal of the American Chemical Society

|September 7, 2016

Summary

This summary is machine-generated.

Researchers discovered new molecular gelators for sensing by predicting crystal shapes. This led to a robust sensor for detecting lead at EPA-regulated levels in paint.

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Last Updated: Mar 15, 2026

$On-Chip Crystallization and Large-Scale Serial Diffraction at Room Temperature$

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Published on: March 11, 2022

Growing Protein Crystals with Distinct Dimensions Using Automated Crystallization Coupled with In Situ Dynamic Light Scattering

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$Microfluidic Chips for In Situ Crystal X-ray Diffraction and In Situ Dynamic Light Scattering for Serial Crystallography$

Microfluidic Chips for In Situ Crystal X-ray Diffraction and In Situ Dynamic Light Scattering for Serial Crystallography

Published on: April 24, 2018

Area of Science:

Materials Science
Supramolecular Chemistry
Chemical Sensing

Background:

Stimuli-responsive molecular gels are promising for chemical and biological sensing applications.
Identifying suitable gelators for specific targets remains a significant challenge in gel-based sensing.
Crystallization and gel formation share similarities, suggesting predictive tools could be adapted.

Purpose of the Study:

To explore the use of crystal morphology prediction tools for discovering novel gelators.
To develop new lead-containing molecular gelators for sensing applications.
To create a sensor for detecting lead at environmentally relevant concentrations.

Main Methods:

Utilized computational tools to predict crystal morphologies and identify high aspect ratio scaffolds.
Synthesized and structurally modified promising molecular scaffolds.
Screened synthesized compounds for gelation properties.
Developed and tested a lead sensor based on a novel gelator.

Main Results:

Successfully identified molecular scaffolds with predicted high aspect ratio crystals.
Discovered six new lead-containing molecular gelators through scaffold modification.
Developed a sensor capable of detecting lead at 5000 ppm, the EPA limit for paint.

Conclusions:

Crystal morphology prediction is a viable strategy for discovering new gelators.
Structurally modified lead-containing gelators can be effective for sensing.
The developed sensor demonstrates practical utility for lead detection in environmental samples.