ArticleJournal of the American Chemical Society2026
Unlocking Gd(III) Anisotropy: Determining the Zero-Field Splitting Axes to Enhance Spin-Label Structural Analysis.
Article in Journal of the American Chemical Society, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
The zero-field splitting (ZFS) of Gd(III) complexes is central to magnetic resonance applications, influencing nuclear relaxation in MRI and NMR, electron spin relaxation in EPR, and the performance of Gd-based spin labels for structural biology applications. However, determining the molecular-frame orientation of the ZFS tensor is experimentally and computationally demanding for Gd(III) chelate complexes in frozen solution, where structural and dynamic heterogeneity complicates orientation determination. Here, we introduce an experimental strategy that enables direct determination of the ZFS tensor orientation in Gd(III) complexes using
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