Backbone cleavage of peptide radical cations induced by nucleophilic attack on aromatic side chains in vacuo: From adjacent to non-adjacent amide bonds

Dr Chu, Ivan Keung   (Principal Investigator (PI))

Professor Hopkinson Alan C   (Co-Investigator)

Dr Laskin Julia   (Co-Investigator)

36

2015-08-15

706972

Backbone cleavage of peptide radical cations induced by nucleophilic attack on aromatic side chains in vacuo: From adjacent to non-adjacent amide bonds

energetics, gas-phase chemsitry, ion-chemistry, Radical peptide, tandem mass spectrometry

Mass Spectrometry

Physical Sciences (P)

17306015

General Research Fund (GRF)

2015

Completed

1 To design and prepare peptide radical cations and characterize the cleavages of their N–Calpha bonds induced through nucleophilic attack on aromatic side chains (Years 1). 2 To investigate the fundamental factors governing the peptide-to-aromatic side chain cyclization through calculations [using density functional theory (DFT) and Rice–Ramsperger–Kassel–Marcus (RRKM) modelling] and experiments; 3 To determine the selected energetics and dynamics of bond cleavages in peptide radical cations induced by nucleophilic attack by heteroatoms in an amide group on (adjacent or non-adjacent) aromatic side chains, both experimentally and computationally.