Quantifying Amide-Aromatic Interactions at Molecular and Atomic Levels: Experimentally-determined Enthalpic and Entropic Contributions to Interactions of Amide sp ² O, N, C and sp ³ C Unified Atoms with Naphthalene sp ² C Atoms in Water.

ABSTRACT: In addition to amide hydrogen bonds and the hydrophobic effect, interactions involving π-bonded sp ² atoms of amides, aromatics and other groups occur in protein self-assembly processes including folding, oligomerization and condensate formation. These interactions also occur in aqueous solutions of amide and aromatic compounds, where they can be quantified. Previous analysis of thermodynamic coefficients quantifying net-favorable interactions of amide compounds with other amides and aromatics revealed that interactions of amide sp ² O with amide sp ² N unified atoms (presumably C=O···H-N hydrogen bonds) and amide/aromatic sp ² C (lone pair-π, n-π ^* ) are particularly favorable. Sp ³ C-sp ³ C (hydrophobic), sp

SUBMITTER: Zytkiewicz E 

PROVIDER: S-EPMC10370101 | biostudies-literature | 2023 Jul

REPOSITORIES: biostudies-literature