Degradation mechanism of sulfa drugs based on theoretical prediction and experimental examination in TiO2 suspension

Degradation mechanism of sulfa drugs based on theoretical prediction and experimental examination... Photodegradations of Sulfamethazine (SMT) and Sulfametoxydiazine (SMD) in TiO2 suspension were investigated experimentally and theoretically under UV irradiation. The degradations of SMT and SMD by TiO2 photocatalysis increased with prolonging the reaction time, and three main intermediates for SMT and four main intermediates for SMD were indentified by LC/MS. The N–S bond, the C–C bond (benzene ring) in the SMT, and the N–C bond, the S–N bond and the C–O bond in the SMD, had higher frontier electron densities. Initial photodegradation of SMT proceeded mainly via the break of the N–S bond and the hydroxylation of SMT, and initial photodegradation of SMD was similar to SMT. There existed a plausible consistency between the experimental results and the theoretical calculations on the basis of results obtained. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Research on Chemical Intermediates Springer Journals

Degradation mechanism of sulfa drugs based on theoretical prediction and experimental examination in TiO2 suspension

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Publisher
Springer Netherlands
Copyright
Copyright © 2013 by Springer Science+Business Media Dordrecht
Subject
Chemistry; Catalysis; Physical Chemistry; Inorganic Chemistry
ISSN
0922-6168
eISSN
1568-5675
D.O.I.
10.1007/s11164-013-1023-5
Publisher site
See Article on Publisher Site

Abstract

Photodegradations of Sulfamethazine (SMT) and Sulfametoxydiazine (SMD) in TiO2 suspension were investigated experimentally and theoretically under UV irradiation. The degradations of SMT and SMD by TiO2 photocatalysis increased with prolonging the reaction time, and three main intermediates for SMT and four main intermediates for SMD were indentified by LC/MS. The N–S bond, the C–C bond (benzene ring) in the SMT, and the N–C bond, the S–N bond and the C–O bond in the SMD, had higher frontier electron densities. Initial photodegradation of SMT proceeded mainly via the break of the N–S bond and the hydroxylation of SMT, and initial photodegradation of SMD was similar to SMT. There existed a plausible consistency between the experimental results and the theoretical calculations on the basis of results obtained.

Journal

Research on Chemical IntermediatesSpringer Journals

Published: Jan 20, 2013

References

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