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Solution Structure of a Europium-Nicotianamine Complex Supports That Phytosiderophores Bind Lanthanides
We report the solution structure of a europium-nicotianamine complex predicted from ab initio molecular dynamics simulations with density functional theory. Emission and excitation spectroscopy measurements show that the Eu<sup>3+</sup>coordination environment changes in the presence of nicotianamine, suggesting complex formation, and strongly supporting the predicted Eu<sup>3+</sup>-nicotianamine complex structure from computation. We used our recently optimized pseudopotentials and basis setsdoi:10.26434/chemrxiv.11954424 fatcat:ngarodpyyvfepa77qicoabbuzm