Composts i materials polifuncionals i/o macrocíclics amb cavitats enantiodiferenciadores. Preparació i estudi estructural, teòric i experimental

  • Virgili Moya, Albert (Principal Investigator)
  • Enrech López, Raquel (Scholar)
  • Estivill Domènech, Carlota (Scholar)
  • Gil Caballero, Sergio Braulio (Scholar)
  • Mendizábal Zalakain, Julen (Scholar)
  • Burusco Goñi, Kepa Koldo (Researcher on contract)
  • Perez Miron, Javier (Researcher on contract)
  • Jaime Cardiel, Carles (Investigator)
  • March Centelles, Pere de (Investigator)

Project Details

Description

The present Project, in line with the others in the series focuses on chirial recognition. New enantiodifferentiators are prepared and their structures, effectiveness and modes of action will be studied. The project will also investigate rhe structures of supramolecular associations that qare formed when a pure enantiomer ios associated to one of the two optical enantiomers of the same molecule. Derivates of di, tri or polyfunctionalised anthracene amines and alcohols will be prepared for use as chiral solvating agents (CSA) to form diastereoisomeric complexes with each of the enantiomers present in the racemic mixtures. The associations will be studied from a thermo-dynamic (stability) and kinetic (lifetime) perspective. New compounds will be studied that determine a cavity (or hollow) characterised by chirality and anisotropy capable or differentially hosting enantiomers. Apart from performing enantiodifferentiaion by RMN they can also be extended to derivative chromatographic or chirl auxiliary systems, and the preparation of chiral materials dendrimers and polymers.In the theorical section, the complexation ability of cyclomannius will be studied as well as the influence of solvent (its entropy9 on the cyclodextrin solubility, Moreover the study of the molecular shape and of the conformational behaviour of the Large-ring CDs (by the use of several starting structures generated either by simulated annealing or by genetic algorithm methods) and of the cyclodextrinic cacerands. Finally we will try to know the details of the CDs/protein interactions that allow to explain the effect that a CD has over a protein (aggregation suppression, protection against degradation, function alterations, etc&)
StatusFinished
Effective start/end date1/10/0630/09/09

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