Bors, István and Szabó-Fodor, Judit and Kovács, Melinda (2015) Preliminary structural optimization of some fumonisin metabolites by density functional theory calculation. POLJOPRIVREDA / AGRICULTURE, 21 (1 Supp). pp. 203-206. ISSN 1330-7142 (Submitted)
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Abstract
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.
| Item Type: | Article |
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| Uncontrolled Keywords: | Fumonisin, fumonisin metabolites, DFT, electron density surfaces, structural optimization |
| Subjects: | Q Science / természettudomány > QP Physiology / élettan |
| Depositing User: | Diszterhöft Zoltán |
| Date Deposited: | 23 Sep 2015 10:25 |
| Last Modified: | 04 Apr 2023 11:07 |
| URI: | http://real.mtak.hu/id/eprint/27449 |
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