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The cytoskeleton is a complex dynamic structure performing varied functions based on cellular requirements. The adaptability of the individual filaments in the cytoskeleton determines their ability to perform various functions within the cell. It can undergo rapid reorganization during processes like cell division or remain stable for several hours as in the interphase. The adaptability of these filaments depends on stringent regulatory mechanisms. The microfilament and microtubules of the...
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Cyclohexane does not exist in a planar form due to the high angle and torsional strain it would experience in the planar structure. Instead, it adopts non-planar chair and boat conformations.
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The intrinsic polarity of cells can be primarily attributed to two factors- i) the asymmetric accumulation of mobile components such are regulatory molecules and subcellular components across the cell and ii) the orientation of polar cytoskeletal filaments that make up the cytoskeletal networks, specifically microfilaments, and microtubules arranged along the axis of polarity. Interactions between the cytoskeletal filaments are crucial for the establishment and maintenance of the polar nature...
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La flexibilidad coexiste con la persistencia de la forma en los macrociclos de Cyanostar

Yun Liu1, Abhishek Singharoy2, Christopher G Mayne2

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Los macrociclos flexibles pero persistentes en forma, como el cyanostar, desafían las definiciones tradicionales. Este estudio muestra que las moléculas flexibles pueden ser persistentes en forma si sus diversas conformaciones mantienen formas similares, expandiendo el alcance del diseño de macrociclos.

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Área de la Ciencia:

  • Química supramolecular
  • Química orgánica
  • Química computacional

Sus antecedentes:

  • Los macrociclos de forma persistente se definen tradicionalmente por rigidez y baja flexibilidad conformacional.
  • Este estudio reevalúa estas definiciones en el contexto de moléculas flexibles pero persistentes en forma.

Objetivo del estudio:

  • Investigar la relación entre la flexibilidad del macrociclo, la persistencia de la forma y la función.
  • Para examinar el comportamiento conformacional del macrociclo flexible en forma de estrella, cyanostar.
  • Ampliar la definición de persistencia de la forma para incluir macrociclos flexibles.

Principales métodos:

  • Simulaciones de dinámica molecular.
  • Cálculos de la teoría funcional de la densidad (DFT).
  • Espectroscopia de resonancia magnética nuclear (RMN).

Principales resultados:

  • Cyanostar exhibe 332 conformadores accesibles debido a la rápida interconversión de los grupos de olefinas.
  • A pesar de la flexibilidad, el cyanostar mantiene una similitud de forma del 87% entre sus conformadores, lo que confirma la persistencia de la forma.
  • La unión inducida por el huésped (diglime) afecta mínimamente el espacio conformacional, pero la formación compleja aumenta la rigidez.

Conclusiones:

  • Los macrociclos flexibles pueden considerarse de forma persistente si sus conformadores exhiben una gran similitud de forma.
  • Este hallazgo amplía los principios de diseño para macrociclos funcionales en el reconocimiento molecular y el autoensamblaje.