title: Photocatalytic degradation kinetics and mechanism of phenobarbital in TiO(2) aqueous solution.
abstract: 5-Ethyl-5-phenylpyrimidine-2,4,6(1H, 3H, 5H)-trione is an anti-convulsant used to treat disorders of movement, e.g. tremors. This work deals with the transformation of phenobarbital by UV/TiO(2) heterogeneous photocatalysis, to assess the decomposition of the pharmaceutical compound, to identify intermediates, as well as to elucidate some mechanistic details of the degradation. The photocatalytic removal efficiency of 100 μm phenobarbital is about 80% within 60 min, while the degradation efficiency of phenobarbital was better in alkaline solution. The study on contribution of reactive oxidative species (ROSs) has shown that ()OH is responsible for the major degradation of phenobarbital, while the photohole, photoelectrons and the other ROSs have the minor contribution to the degradation. Finally, based on the identification of degradation intermediates, two main photocatalytic degradation pathways have been tentatively proposed, including the hydroxylation and cleavage of pyrimidine ring in the phenobarbital molecule respectively. Certainly, the phenobarbital can be mineralized when the photocatalytic reaction time prolongs.
authors.affiliation: School of Chemistry and Chemical Engineering, Guangdong Pharmaceutical University, Guangzhou 510006, PR China. hua.cao@mail.scut.edu.cn
authors.forename: Hua
authors.initials: H
authors.lastname: Cao
authors.forename: Xiulian
authors.initials: X
authors.lastname: Lin
authors.forename: Haiying
authors.initials: H
authors.lastname: Zhan
authors.forename: Hong
authors.initials: H
authors.lastname: Zhang
authors.forename: Jingxin
authors.initials: J
authors.lastname: Lin
mesh_terms: D000927:Anticonvulsants / Q000032:analysis / Q000737:chemistry*; D007700:Kinetics; D008956:Models, Chemical; D010084:Oxidation-Reduction; D010634:Phenobarbital / Q000032:analysis / Q000737:chemistry*; D055668:Photochemical Processes; D014025:Titanium / Q000737:chemistry*; D014874:Water Pollutants, Chemical / Q000032:analysis / Q000737:chemistry*
chemical_list: D000927:Anticonvulsants; D014874:Water Pollutants, Chemical; C009495:titanium dioxide; D014025:Titanium; D010634:Phenobarbital