title: Metabolic pathway elucidation towards time- and dose-dependent electrophoretic screening of stable oxidative phenolic compounds.
abstract: This study demonstrates an untested link between model phenolic compounds and the formation/electrophoretic separation of stable urinary metabolites. Sterically encumbered carbonyl groups were examined, and mass determination was used to confirm the presence and stability of two oxidative metabolites of pentachlorophenol: tetrachloro-1,2-benzoquinone and tetrachloro-1,4-dihydroquinone. Subsequently, baseline resolved separation of pentachlorophenol and the two oxidative metabolites was demonstrated under the following conditions: 75 mM sodium tetraborate buffer (pH = 8.5) with 5 % methanol and 50 mM SDS, +10.0 kV running voltage, injection time = 5.0 s, effective capillary length = 55 cm, and run temperature = 20 °C. Results not only provide key metabolic inferences for pentachlorophenol, they also exhibit improvements in the ability to separate and detect changes in urinary metabolites in response to phenolic-related exposure.
authors: Department of Chemistry, California Lutheran University, Thousand Oaks, CA, 91360, USA.
authors: Annika M
authors: AM
authors: Weber
authors: Huong Thi Huynh
authors: HT
authors: Nguyen
authors: Grady
authors: G
authors: Hanrahan
mesh_terms: D001711:Biotransformation; D002021:Buffers; D002703:Chloranil / Q000031:analogs & derivatives* / Q000737:chemistry* / Q000378:metabolism; D003577:Cytochrome P-450 Enzyme System / Q000378:metabolism; D019075:Electrophoresis, Capillary; D004785:Environmental Pollutants / Q000737:chemistry* / Q000378:metabolism; D008401:Gas Chromatography-Mass Spectrometry; D006801:Humans; D006863:Hydrogen-Ion Concentration; D010416:Pentachlorophenol / Q000737:chemistry* / Q000378:metabolism; D012996:Solutions; D013696:Temperature
chemical_list: D002021:Buffers; D004785:Environmental Pollutants; D012996:Solutions; D002703:Chloranil; D003577:Cytochrome P-450 Enzyme System; D010416:Pentachlorophenol; C039499:2-chloranil