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. Author manuscript; available in PMC: 2010 Jul 29.
Published in final edited form as: J Am Chem Soc. 2009 Jul 29;131(29):10308–10319. doi: 10.1021/ja902716d

Figure 5.

Figure 5

QM/MM simulated reaction coordinate for the oxidation chemistry observed for the BIAA Cα-radical oxidation with a singlet CuII-OH species (circles). The squares represent dealkylation distances observed for imino-oxy ↔ Cα bond lengths versus reaction coordinate.