Gardner, SashaCarrano, Carl J.Mao, YuezhiKuepper, Frithjof C.Cooksy, Andrew L.2025-01-232025-01-232024-10-02Gardner, S, Carrano, C J, Mao, Y, Kuepper, F C & Cooksy, A L 2024, 'DFT and TD-DFT studies to elucidate the configurational isomers of ferric aerobactin, ferric petrobactin, and their ferric photoproducts', Biometals. https://doi.org/10.1007/s10534-024-00638-60966-0844https://hdl.handle.net/2164/24920Author contributions: Sasha Gardner carried out all calculations and composed the original draft of the manuscript including tables and figures. Carl J. Carrano suggested the project, provided the original experimental data, and provided early guidance on the interpretation of the experimental work. Yuezhi Mao and Andrew Cooksy provided guidance and resources for the calculations. Frithjof Küpper provided guidance on the context of the work and on the original experimental work and drafted relevant sections of the manuscript. All authors save Carrano edited the manuscript.1718317163558784engSDG 14 - Life Below WatersiderophoresaerobactinpetrobactinDFTTD-DFTUV-visabsorbancedecarboxylationQH301 BiologySupplementary Informationhttps://doi.org/10.1007/s10534-024-00638-6Supplementary DataDASLinkQH301Journal article10.1007/s10534-024-00638-6