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Effect of side chains on competing pathways for β -scission reactions of peptide-backbone alkoxyl radicals

Date

Authors

Wood, Geoffrey P F

Easton, Christopher

Rauk, Arvi

Davies, Michael J

Radom, Leo

Publisher

American Chemical Society

Abstract

High-level quantum chemistry calculations have been carried out to investigate β-scission reactions of alkoxyl radicals located at the α-carbon of a peptide backbone. This type of alkoxyl radical may undergo three possible β-scission reactions, namely

Keywords

Keywords: Quantum chemistry calculations; Radical stabilization energies (RSE); Scission reactions; Side-chain fragment radicals; Amino acids; Molecular dynamics; Quantum theory; Stabilization; Reaction kinetics; alcohol derivative; alkoxy radical; peptide; article

URI

http://hdl.handle.net/1885/85152

Collections

ANU Research Publications

Source

Journal of Physical Chemistry A

Type

Journal article

DOI

10.1021/jp062916j

Restricted until

2037-12-31

Downloads

File

Description

01_Wood_Effect_of_side_chains_on_2006.pdf (124.86 KB)