On the Potential Role of the (Pseudo-) Jahn-Teller Effect in the Membrane Transport Processes: Enniatin B and Beauvericin.
DFT
mycotoxin
natural compounds
symmetry
tautomers
Journal
Molecules (Basel, Switzerland)
ISSN: 1420-3049
Titre abrégé: Molecules
Pays: Switzerland
ID NLM: 100964009
Informations de publication
Date de publication:
27 Aug 2023
27 Aug 2023
Historique:
received:
09
08
2023
revised:
20
08
2023
accepted:
24
08
2023
medline:
9
9
2023
pubmed:
9
9
2023
entrez:
9
9
2023
Statut:
epublish
Résumé
The molecular structure of mycotoxins enniatin B and beauvericin, which are used as ionophores, was studied using density functional theory in various symmetry groups and singly charged states. We have shown that the charge addition or removal causes significant structural changes. Unlike the neutral C
Identifiants
pubmed: 37687093
pii: molecules28176264
doi: 10.3390/molecules28176264
pmc: PMC10488337
pii:
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Subventions
Organisme : Slovak Research and Development Agency
ID : APVV-19-0024 and APVV-20-0213
Organisme : Scientific Grant Agency of the Ministry of Education, Science, Research, and Sport of the Slovak Republic VEGA
ID : 1/0461/21 and 1/0139/20
Organisme : Operational Program Integrated Infrastructure
ID : 313021BXZ1
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