An integrated workflow for the structure elucidation of nanocrystalline powders
Academic source · Communications Chemistry
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Site published: 2026-11-03 · Updated: 2026-11-03
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What the paper reports
An integrated workflow combined MicroED with high-resolution mass spectrometry, database searches, solution and solid-state NMR, and computational calculations. Demonstrations used a pyridoxine–N-acetyl-L-cysteine salt and the peptide fMLF. The approach addressed molecular identity, crystal packing, light-atom assignment, and hydrogen positions, illustrating how complementary measurements can resolve ambiguities that electron diffraction alone may leave in nanocrystalline powders.
Why this paper is included
Provides a realistic multi-technique strategy for salts and unknown powders where a plausible electron-diffraction model still requires chemical and spectroscopic validation.
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