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Electronic structure and molecular properties of nitisinone and mesotrione in water

CONTEXT: Nitisinone is a medium-sized organic molecule that is used in treating hereditary tyrosinemia type 1 (HT-1). The structurally analogous mesotrione, however, is used as a pesticide/herbicide. What molecular properties are responsible for the similarity/dissimilarity of these molecules is inv...

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Detalles Bibliográficos
Autores principales: Imrich, Richard, Štofko, Juraj, Boča, Roman, Rajnák, Cyril
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10641058/
https://www.ncbi.nlm.nih.gov/pubmed/37953387
http://dx.doi.org/10.1007/s00894-023-05780-5