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Structure of L-arginine and detection of trace DL-arginine by 3D ED

. 2025 Jul 01 ; 81 (Pt 7) : 391-396. [epub] 20250620

Status PubMed-not-MEDLINE Language English Country Great Britain, England Media print-electronic

Document type Journal Article

3D electron crystallography has emerged as a method with great potential for the structure determination of small molecules and macromolecules complementing traditional single-crystal X-ray crystallography and powder X-ray diffraction (PXRD). It offers the unique capability of determining the structures of small molecules and macromolecules from micro- and nanocrystals. In this study, using 3D electron diffraction (3D ED), we determined the single-crystal structure of commercially sourced arginine directly from its bottle. The 3D ED analysis of micro-sized single crystals identified two distinct forms: the L-arginine enantiomer and the racemic mixture DL-arginine. At the time of writing, neither the Cambridge Structural Database nor the Crystallographic Open Database contain a single-crystal structure of isolated L-arginine (sum formula C6H14N4O2), which has been solved in this work by 3D ED. We also present a comparison of the structures of these molecules solved by 3D ED and PXRD.

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