RESEARCH / LITERATURE

Research Literature

Find research, methods, and reviews across our scientific fields.

One collection · Original publication dates · Authors, journals & DOIs

MicroED structure determination 52

Duplicate DOIs are merged. This is a selected collection, not an exhaustive bibliography.

Reviews & perspectives
Nature Methods

The cryo-EM method microcrystal electron diffraction (MicroED)

Brent L. Nannenga; Tamir Gonen

This review explains MicroED and compares its role with other structure-determination methods. It surveys example structures and practical considerations for prospective users, including the progression from specimen preparation to diffraction acquisition and analysis. Its value for pharmaceutical readers is methodological orientation across sample classes, rather than evidence that a specific API screening workflow has been validated.

DOI: 10.1038/s41592-019-0395-x

Original research
ACS Central Science

The CryoEM Method MicroED as a Powerful Tool for Small Molecule Structure Determination

Christopher G. Jones; Michael W. Martynowycz; Johan Hattne; Tyler J. Fulton; Brian M. Stoltz; Jose A. Rodriguez; Hosea M. Nelson; Tamir Gonen

Researchers demonstrated atomic-resolution structure determination of small organic molecules from nanocrystals present in ordinary powders, using minimal specimen preparation. The study included pharmaceutical and natural-product examples and showed that individual compounds could be analyzed from a mixed specimen. It established a practical route around the need to grow crystals large enough for conventional single-crystal X-ray diffraction.

DOI: 10.1021/acscentsci.8b00760

Original research
Angewandte Chemie International Edition

Rapid Structure Determination of Microcrystalline Molecular Compounds Using Electron Diffraction

Tim Gruene et al.

A prototype electron diffractometer combined a transmission electron microscope with a hybrid pixel detector. Researchers determined a methylene blue derivative and identified the crystal structure of paracetamol within a commercial medicine containing crystalline and noncrystalline components. The work demonstrated chemical crystallography from crystals too small for standard X-ray workflows, while emphasizing the need for appropriate structural validation.

DOI: 10.1002/anie.201811318

Original research
Organic Process Research & Development

Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography

Partha P. Das; Enrico Mugnaioli; Stavros Nicolopoulos; Camilla Tossi; Mauro Gemmi; Athanasios Galanis; Gheorghe Borodi; Mihaela M. Pop

Researchers determined crystal structures of ramelteon and tolvaptan using three-dimensional precession electron diffraction tomography on approximately 500-nanometer crystals. Structures from subsequently grown, much larger crystals were measured by single-crystal X-ray diffraction for comparison. Agreement in molecular conformation, packing, and unit-cell parameters supported the electron-diffraction workflow for these two pharmaceutical materials.

DOI: 10.1021/acs.oprd.8b00149

AI assistant ↗