ISIS Neutron and Muon Source Data Journal
This is a page describing data taken during an experiment at the ISIS Neutron and Muon Source. Information about the ISIS Neutron and Muon Source can be found at https://www.isis.stfc.ac.uk.
Inelastic neutron scattering studies of gallium antimicrobial agents: dynamics of reactive axial ligands and stabilising chelated equatorial ligands
Abstract: Antimicrobial resistance (AMR) to current antibiotics is a major global health problem. Metal compounds hold promise for discovery of antimicrobials with new mechanisms of action to combat AMR. Gallium (Ga) complexes can target iron pathways and even restore activity of organic antibiotics. Ga(III) complexes containing chelated salen ligands developed in our lab show in vitro antimicrobial activity against E. coli and Pseudomonas Gram-negative bacteria. Ga ICP-MS uptake studies indicate efficient gallium internalisation. Both activity and uptake increase in iron-depleted growth medium. Fundamental studies of the structure and dynamics of antimicrobial Ga complexes are crucial for elucidation of their target-site recognition, and optimisation of design. We propose to study the vibrational properties of the reactive axial ligands and the chelated equatorial salen ligands. Vibrational spectra of H/D-aqua Ga complexes 1 and 2 and bioadduct 3 will be recorded using neutron scattering on TOSCA and assigned using density functional theory (DFT) phonon calculations.
Principal Investigator: Professor Peter Sadler
Experimenter: Dr Rafael Cavalieri Marchi
Experimenter: Miss Milllie Parton
Local Contact: Dr Jeff Armstrong
DOI: 10.5286/ISIS.E.RB2620147
ISIS Experiment Number: RB2620147
| Part DOI | Instrument | Public release date | Download Link |
|---|---|---|---|
| 10.5286/ISIS.E.RB2620147-1 | TOSCA | 30 September 2029 | Download |
Publisher: STFC ISIS Neutron and Muon Source
Data format: RAW/Nexus
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Data Citation
The recommended format for citing this dataset in a research
publication is as:
[author], [date], [title], [publisher],
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For Example:
Professor Peter Sadler et al; (2026): Inelastic neutron scattering studies of gallium antimicrobial agents: dynamics of reactive axial ligands and stabilising chelated equatorial ligands, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2620147
Data is released under the CC-BY-4.0 license.
