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Experimental and theoretical structural/spectroscopical correlation of enterobactin and catecholamide

Here we report the IR spectra of FeEnterobactin in catecholate conformations ([CatFeEB](3−)) obtained by DFT calculations using PBE/QZVP and their correlation it with its experimental counterpart [SalH(3)FeEB](0). Fragments of FeEnterobactin and Enterobactin (H(6)EB) are elucidated from their MALDI-...

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Detalles Bibliográficos
Autores principales:	Moreno, M., Zacarias, A., Velasquez, L., Gonzalez, G., Alegría-Arcos, M., Gonzalez-Nilo, F., Gross, E.K.U.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier 2018
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6178210/ https://www.ncbi.nlm.nih.gov/pubmed/30310830 http://dx.doi.org/10.1016/j.dib.2018.08.114

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