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Inne
An efficient computational model to predict protonation at the amide nitrogen and reactivity along the C–N rotational pathway.
Autorzy
Rok wydania
2015
Czasopismo
Numer woluminu
51
Strony
6395-6398
DOI
10.1039/c5cc01034a
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
N-Protonation of amides is critical in numerous biological processes, including amide bonds proteolysis and protein folding as well as in organic synthesis as a method to activate amide bonds towards unconventional reactivity. A computational model enabling prediction of protonation at the amide bond nitrogen atom along the C–N rotational pathway is reported. Notably, this study provides a blueprint for the rational design and application of amides with a controlled degree of rotation in synthetic chemistry and biology.
Adres publiczny
http://dx.doi.org/10.1039/c5cc01034a