title: Molecular-level insights into intrinsic peroxidase-like activity of nanocarbon oxides.
abstract: Nanocarbon oxides have been proved to possess great peroxidase-like activity, catalyzing the oxidation of many peroxidase substrates, such as 3,3',5,5'-tetramethylbenzidine (TMB) and o-phenylenediamine dihydrochloride (OPD), accompanied by a significant color change. This chromogenic reaction is widely used to detect glucose and occult blood. The chromogenic reaction was intensively investigated with density functional theory and molecular-level insights into the nature of peroxidase-like activity were gained. A radical mechanism was unraveled and the carboxyl groups of nanocarbon oxides were identified as the reactive sites. Aromatic domains connected with the carboxyl groups were critical to the peroxidase-like activity.
authors.affiliation: Institute for Chemical Physics and Department of Chemistry, State Key Laboratory of Electrical Insulation and Power Equipment, Xi'an Jiaotong University, Xi'an 710049 (P. R. China); CAS Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety, Institute of High Energy Physics, Chinese Academy of Science, Beijing 100049 (P. R. China).
authors.forename: Ruisheng
authors.initials: R
authors.lastname: Zhao
authors.forename: Xiang
authors.initials: X
authors.lastname: Zhao
authors.forename: Xingfa
authors.initials: X
authors.lastname: Gao
mesh_terms: D001560:Benzidines / Q000737:chemistry / Q000378:metabolism; D002384:Catalysis; D006861:Hydrogen Peroxide / Q000737:chemistry; D037742:Nanotubes, Carbon / Q000737:chemistry*; D010084:Oxidation-Reduction; D010087:Oxides / Q000737:chemistry*; D009195:Peroxidase / Q000737:chemistry / Q000378:metabolism; D010655:Phenylenediamines / Q000737:chemistry / Q000378:metabolism; D013816:Thermodynamics
chemical_list: D001560:Benzidines; D037742:Nanotubes, Carbon; D010087:Oxides; D010655:Phenylenediamines; C021758:3,3',5,5'-tetramethylbenzidine; D006861:Hydrogen Peroxide; D009195:Peroxidase
keywords: carboxyl; density functional calculations; nanocarbon oxides; peroxidase; reaction mechanism