PRELIMINARY STRUCTURAL OPTIMIZATION OF SOME FUMONISIN METABOLITES BY DENSITY FUNCTIONAL THEORY CALCULATION

Autor:	István Bors, Judit Szabó-Fodor, Melinda Kovács
Jazyk:	English<br />Croatian
Rok vydání:	2015
Předmět:	Fumonisin fumonisin metabolites DFT electron density surfaces structural optimization Agriculture (General) S1-972 Plant culture SB1-1110
Zdroj:	Poljoprivreda, Vol 21, Iss 1 sup, Pp 203-206 (2015)
Druh dokumentu:	article
ISSN:	1330-7142 1848-8080
DOI:	10.18047/poljo.21.1.sup.48
Popis:	Maize (Zea mays L.) is often contaminated with Fusarium verticillioides. This harmful fungus produces fumonisins as secondary metabolites. These fumonisins can appear both free and hidden form in planta. The hidden form is usually bound covalently to cereal starch. From the hidden fumonisins, during enzymatic degradation, glycosides are formed, and the fumonisin is further decomposed during a de-esterification step. In this short communication some preliminary DFT calculated structural results which could be useful in the future to help to understand the van der Waals force controlled molecular interactions between these kinds of mycotoxin molecules and enzymes are demonstrated.
Databáze:	Directory of Open Access Journals
Externí odkaz:	https://doaj.org/article/091008d166fe419c84fb742654a668d5 Zobrazit plný text záznamu View record in DOAJ