Quantum-Chemical Modeling of Vinpocetine Desorption from Silicon and Silicon-Dioxide Particle Surfaces
- Authors: Polkovnikova Y.A.1, Len’shin A.S.1, Slivkin A.I.1
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Affiliations:
- Voronezh State University
- Issue: Vol 53, No 2 (2019)
- Pages: 170-174
- Section: Article
- URL: https://journals.rcsi.science/0091-150X/article/view/245661
- DOI: https://doi.org/10.1007/s11094-019-01973-6
- ID: 245661
Cite item
Abstract
Activation energies for desorption of vinpocetine from silicon (Si) and silicon-dioxide (SiO2) surfaces were analyzed and compared. The molecular mechanism of vinpocetine desorption was found to differ depending on the adsorbent and ionization state, which in turn depended on the pH. Nonpolar interactions between the adsorbent and vinpocetine played a decisive role during desorption from a hydrophobic Si surface without substituents. Quantum-chemical estimates of the activation energy led to the conclusion that vinpocetine in aqueous solution at pH 6.8 and 7 was bound more strongly to SiO2 than to Si. The activation energies for vinpocetine desorption from Si and SiO2 surfaces at pH 2 were statistically indistinguishable and statistically significantly less than the activation energies at pH 6.8 and 7.
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About the authors
Yu. A. Polkovnikova
Voronezh State University
Author for correspondence.
Email: juli-polk@mail.ru
Russian Federation, 3 Studencheskaya St., Voronezh, 394018
A. S. Len’shin
Voronezh State University
Email: juli-polk@mail.ru
Russian Federation, 3 Studencheskaya St., Voronezh, 394018
A. I. Slivkin
Voronezh State University
Email: juli-polk@mail.ru
Russian Federation, 3 Studencheskaya St., Voronezh, 394018