Publications by authors named "Steven G Worswick"
The established model-free methods for the processing of two-electron dipolar spectroscopy data [DEER (double electron-electron resonance), PELDOR (pulsed electron double resonance), DQ-EPR (double-quantum electron paramagnetic resonance), RIDME (relaxation-induced dipolar modulation enhancement), etc.] use regularized fitting. In this communication, we describe an attempt to process DEER data using artificial neural networks trained on large databases of simulated data.
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- Bleaney's theory of magnetic anisotropy is traditionally used to explain paramagnetic NMR pseudocontact shifts, but this study investigates its limitations in the context of lanthanide(III) complexes with a focus on solvent effects.
- The research highlights how slight changes in ligand structure can significantly impact the magnetic susceptibility tensor, influencing the pseudocontact shifts observed in NMR experiments.
- Ultimately, the findings emphasize the need for accurate structural models and magnetostructural correlations, which could help develop better probes for studying local environments in magnetic resonance and optical emissions.