title: Characterization of Disinfection By-Products from Chromatographically Isolated NOM through High-Resolution Mass Spectrometry.
abstract: As levels of natural organic matter (NOM) in surface water rise, the minimization of potentially harmful disinfection by-products (DBPs) becomes increasingly critical. Here, we introduce the advantage that chromatographic prefractionation brings to investigating compositional changes to NOM caused by chlorination. Fractionation reduces complexity, making it easier to observe changes and attribute them to specific components. Under the conditions tested (0.1-0.4 g of Cl to g of C without further additives), the differences between highly and less oxidized NOM were striking. Highly oxidized NOM formed more diverse Cl-containing DPB, had a higher propensity to react with multiple Cl, and tended to transform so drastically as to no longer be amenable to electrospray-ionization mass spectral detection. Less-oxidized material tended to incorporate one Cl and retain its humiclike composition. N-containing, lipidlike, and condensed aromatic structure (CAS)-like NOM were selectively enriched in mass spectra, suggesting that such components do not react as extensively with NaOCl as their counterparts. Carbohydrate-like NOM, conversely, was selectively removed from spectra by chlorination.
authors.forename: Bradley D
authors.initials: BD
authors.lastname: Harris
authors.forename: Taylor A
authors.initials: TA
authors.lastname: Brown
authors.forename: Jimmie L
authors.initials: JL
authors.lastname: McGehee
authors.forename: Dominika
authors.initials: D
authors.lastname: Houserova
authors.forename: Benjamin A
authors.initials: BA
authors.lastname: Jackson
authors.forename: Brandon C
authors.initials: BC
authors.lastname: Buchel
authors.affiliation: Department of Chemistry and Biochemistry, Florida State University , Tallahassee, Florida 32306, United States.
authors.forename: Logan C
authors.initials: LC
authors.lastname: Krajewski
authors.forename: Andrew J
authors.initials: AJ
authors.lastname: Whelton
authors.forename: Alexandra C
authors.initials: AC
authors.lastname: Stenson
mesh_terms: D002244:Carbon / Q000737:chemistry; D002713:Chlorine / Q000032:analysis; D002845:Chromatography; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D004203:Disinfection / Q000379:methods*; D054879:Halogenation; D006812:Humic Substances / Q000032:analysis; D006863:Hydrogen-Ion Concentration; D013058:Mass Spectrometry / Q000379:methods*; D009930:Organic Chemicals / Q000737:chemistry*; D010084:Oxidation-Reduction; D014466:Ultraviolet Rays
chemical_list: D006812:Humic Substances; D009930:Organic Chemicals; D002713:Chlorine; D002244:Carbon