title: Molecular characterization of low molecular weight dissolved organic matter in water reclamation processes using Orbitrap mass spectrometry.
abstract: Reclaimed water has recently become an important water source for urban use, but the composition of dissolved organic matter (DOM) in reclaimed water has rarely been characterized at the compound level because of its complexity. In this study, the transformation and changes in composition of low molecular weight DOM in water reclamation processes, where secondary effluent of the municipal wastewater treatment plant was further treated by biofiltration, ozonation and chlorination, were investigated by "unknown" screening analysis using Orbitrap mass spectrometry (Orbitrap MS). The intense ions were detected over an m/z range from 100 to 450. In total, 2412 formulae with various heteroatoms were assigned, and formulae with carbon (C), hydrogen (H) and oxygen (O) only and C, H, O and sulfur (S) were the most abundant species. During biofiltration, CHO-only compounds with relatively high hydrogen to carbon (H/C) ratio or with saturated structure were preferentially removed, while CHOS compounds were mostly removed. Ozonation induced the greatest changes in DOM composition. CHOS compounds were mostly decreased after ozonation while ozone selectively removed CHO compounds with relatively unsaturated structure and produced compounds that were more saturated and with a higher degree of oxidation. After chlorination, 168 chlorine-containing formulae, chlorinated disinfection by-products (DBPs), were additionally detected. Candidate DBP precursors were determined by tracking chlorinated DBPs formed via electrophilic substitution, half of which were generated during the ozonation.
authors.affiliation: Department of Urban Engineering, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656, Japan. Electronic address: phanwatt@env.t.u-tokyo.ac.jp.
authors.forename: Phanwatt
authors.initials: P
authors.lastname: Phungsai
authors.affiliation: Research Center for Water Environment Technology, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656, Japan.
authors.forename: Futoshi
authors.initials: F
authors.lastname: Kurisu
authors.affiliation: Department of Urban Engineering, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656, Japan.
authors.forename: Ikuro
authors.initials: I
authors.lastname: Kasuga
authors.affiliation: Research Center for Water Environment Technology, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656, Japan.
authors.forename: Hiroaki
authors.initials: H
authors.lastname: Furumai
mesh_terms: D004203:Disinfection; D054879:Halogenation; D013058:Mass Spectrometry; D008970:Molecular Weight; D014867:Water; D014874:Water Pollutants, Chemical / Q000737:chemistry; D018508:Water Purification
chemical_list: D014874:Water Pollutants, Chemical; D014867:Water
keywords: Disinfection by-products; Low molecular weight organic matter; Molecular characterization; Orbitrap mass spectrometry; Reclaimed water; Unknown screening