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Los grupos alquilo se pliegan para caber dentro de una cavidad soluble en agua y un grupo alquilo se pliega para
Kang-Da Zhang1, Dariush Ajami, Jesse V Gavette
1Department of Chemistry, Fudan University , 220 Handan Road, Shanghai 200433, China.
Journal of the American Chemical Society
|March 27, 2014
Resumen
Este estudio introduce una nueva cavidad y huésped capaz de atar a varios huéspedes en agua pesada. El huésped se une de manera única a moléculas pequeñas y grandes en estados comprimidos o plegados, revelando nuevas interacciones huésped-huésped.
Área de la Ciencia:
- Química supramolecular de las moléculas.
- Química entre anfitrión y huésped.
- Química orgánica es la química orgánica.
Sus antecedentes:
- Los cavitandos son anfitriones moleculares con cavidades definidas.
- Comprender la unión del huésped dentro de los huéspedes es crucial para el reconocimiento molecular.
- El agua pesada (D2O) ofrece propiedades únicas de disolvente que impactan la unión.
Objetivo del estudio:
- Para sintetizar y caracterizar una nueva, ampliada y profunda cavidad y huésped.
- Para investigar el comportamiento de unión de los huéspedes hidrofóbicos y anfifílicos en D2O.
- Para aclarar los modos de unión y las implicaciones estructurales de la encapsulación de invitados.
Principales métodos:
- Síntesis de una nueva cavidad y huésped.
- Estudios vinculantes utilizando varios invitados (alcanes, alcoholes, diolos) en D2O.
- Análisis estructural de complejos huésped-anfitrión (implicado).
Principales resultados:
- El cavitando se une con éxito a pequeños alcanos (C6-C11) en conformaciones comprimidas, exhibiendo una rápida caída.
- Los n-alcanos más largos (C13-C14), los n-alcoholes y los α,ω-diolos están unidos en conformaciones plegadas.
- Los extremos invitados están expuestos al disolvente, mientras que los átomos internos están protegidos, lo que indica un efecto de plantilla.
Conclusiones:
- La cavidad ensanchada y exhibe capacidades únicas de unión en D2O.
- La unión del huésped ocurre en conformaciones comprimidas o plegadas inesperadas.
- La estructura de la cavitanda dicta la conformación del huésped, lo que influye en el reconocimiento molecular.
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