Extraction and DFT study on the complexation of Zn(2+) with beauvericin

Acta Chim Slov. 2013;60(4):884-8.

Abstract

From extraction experiments and g-activity measurements, the exchange extraction constant corresponding to the equilibrium Zn2+(aq) + 1 . Sr2+(nb) <-> 1 . Zn2+(nb) + Sr2+(aq) taking place in the two-phase water-nitrobenzene system (1 = beauvericin; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log Kex (Zn2+, 1 . Sr2+) = -0.3 ± 0.1. Further, the stability constant of the beauvericin - zinc complex (abbrev. 1 . Zn2+) in nitrobenzene saturated with water was calculated for a temperature of 25 °C: log βnb (1 . Zn2+) = 9.1 ± 0.2. Finally, by using quantum mechanical DFT calculations, the most probable structure of the 1 . Zn2+ complex species was predicted.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Depsipeptides / chemistry
  • Depsipeptides / metabolism*
  • Hydrogen-Ion Concentration
  • Models, Molecular
  • Molecular Structure
  • Nitrobenzenes / chemistry
  • Nitrobenzenes / metabolism*
  • Quantum Theory*
  • Strontium / chemistry
  • Strontium / metabolism*
  • Water / chemistry
  • Water / metabolism*
  • Zinc / chemistry
  • Zinc / metabolism*

Substances

  • Depsipeptides
  • Nitrobenzenes
  • Water
  • beauvericin
  • nitrobenzene
  • Zinc
  • Strontium