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Quantifying macrocyclization-induced strain utilizing N -phenylimides as conformational reporters.

Bright U EmenikeDavid W ShinnRonald A SpinelleBarney YooAmbar M Rosario
Published in: Chemical communications (Cambridge, England) (2024)
Incorporating an N -phenylimide unit into macrocycles enabled measurements of macrocyclization strains by comparing the N -phenylimide's conformational changes to similar units attached to a linear-chain control. Systems of larger macrocycles displayed negligible macrocyclization strain, while smaller macrocycles demonstrated proportionate effects, emphasizing the use of N -phenylimides as conformational reporters of macrocyclization strain.
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • single molecule
  • escherichia coli
  • high glucose
  • diabetic rats
  • oxidative stress
  • drug induced