Anion-π Interactions in Biological Systems (DOI: 10.2436/20.2003.01.33)

Authors

  • Carolina Estarellas Departament de Química. Universitat de les Illes Balears

Keywords:

ab initio calculations, anion–π interactions, donor-acceptor systems, enzyme models, supramolecular chemistry.

Abstract

Noncovalent interactions are crucial in many areas of modern chemistry, especially in the field of supramolecular chemistry and molecular recognition. Interactions involving aromatic rings are important binding forces in both chemical and biological systems. In 2002, three different research groups have demonstrated theoretically the interaction between electron deficient aromatic ring and anions. This kind of interaction is knowed like anion-π interaction. Our research group described at first, the anion-π interaction between different anions and hexafluorobenzene where the anion is positioned over the ring along the C6 axis. The anion-π interaction is dominated by electrostatic and anion-induced polarization terms. Currently the anion-π interaction is recognized by the scientific community as a noncovalent interaction important in a lot of research fields. In this work we want to demonstrate the importance of the anion-π interactions in more complex and relevant biological systems, where the anion has a key role in the function of determinate enzymes.

Keywords: ab initio calculations, anion–π interactions, donor-acceptor systems, enzyme models, supramolecular chemistry.

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Author Biography

Carolina Estarellas, Departament de Química. Universitat de les Illes Balears

C. Estarellas (Palma de Mallorca, 1985) va estudiar la carrera de Química a la Universitat de les Illes Balears (UIB), llicenciant-se al juny de 2008. Al setembre de 2009 va obtenir el títol de Màster en Ciència i Tecnologia Química per la UIB. Actualment es troba fent el doctorat a l’àrea de química orgànica computacional amb la supervisió dels seus directors de tesi Antonio Frontera i Pere M. Deyà. La recerca es fonamenta en l’estudi de diferents interaccions no covalents i els
possibles efectes sinèrgics que existeixen entre elles i que poden ajudar a explicar molts de fenòmens a les àrees de la química o la biologia.

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Issue

No. 10 (2011)

Section

Articles

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