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Rational Design of Supramolecular Receptors for Consistent Binding Affinities under High-Salinity Conditions.

Borja Gómez-González1, Nuno Basílio2, Belén Vaz3,4

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New zwitterionic synthetic receptors overcome limitations of traditional charged molecules. These stable, adaptable systems maintain high binding efficiency in complex environments, advancing molecular recognition for biomedical applications.

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Area of Science:

  • Supramolecular Chemistry
  • Materials Science
  • Biomedical Engineering

Background:

  • Water-soluble multicharged macrocycles are key for molecular recognition in biomedicine.
  • Traditional polyanionic and polycationic receptors suffer from reduced binding efficiency due to ion screening and self-ion pairing, especially in high-salinity conditions.
  • These limitations hinder their performance in physiological settings.

Purpose of the Study:

  • To develop novel synthetic receptors that overcome the performance limitations of traditional polyionic receptors.
  • To engineer zwitterionic macrocycles with enhanced stability and binding efficiency in challenging environments.
  • To enable selective molecular recognition for therapeutic and diagnostic applications.

Main Methods:

  • Design and synthesis of zwitterionic synthetic receptors with specific structural features.
  • Investigation of host concentration effects on complexation thermodynamics.
  • Evaluation of receptor performance in high-salinity environments.
  • Assessment of the ability to encapsulate zwitterionic guests.

Main Results:

  • Elimination of self-ion pairing, making host concentration independent of binding thermodynamics.
  • Achieved self-contained stabilization, shielding recognition sites from external ions in high-salinity conditions.
  • Demonstrated successful encapsulation of challenging zwitterionic guests.
  • Established stable and adaptable receptor systems for complex environments.

Conclusions:

  • Zwitterionic synthetic receptors represent a significant advancement over traditional polyionic receptors.
  • These novel macrocycles offer enhanced stability, adaptability, and binding efficiency in physiological and high-salinity conditions.
  • The findings pave the way for improved molecular recognition strategies in biomedical applications.