Details zur Publikation |
| Kategorie | Textpublikation |
| Referenztyp | Zeitschriften |
| DOI | 10.1021/acs.est.4c09732 |
| Titel (primär) | Sulfamethoxazole transformation by heat-activated persulfate: Linking transformation products patterns with carbon and nitrogen isotope fractionation |
| Autor | Liu, X.; Köpke, J.
; Akay, C.
; Kümmel, S.
; Imfeld, G. |
| Quelle | Environmental Science & Technology |
| Erscheinungsjahr | 2025 |
| Department | EXPO; TECH; MEB |
| Band/Volume | 59 |
| Heft | 11 |
| Seite von | 5704 |
| Seite bis | 5714 |
| Sprache | englisch |
| Topic | T7 Bioeconomy T9 Healthy Planet |
| Supplements | https://pubs.acs.org/doi/suppl/10.1021/acs.est.4c09732/suppl_file/es4c09732_si_001.pdf |
| Keywords | micropollutant; heat-activated persulfate; isotope fractionation; radical reactions |
| Abstract | Sulfamethoxazole (SMX) is a frequently detected antibiotic in groundwater, raising environmental concerns. Persulfate oxidation is used for micropollutant removal. To investigate SMX transformation by persulfate, experiments were conducted using heat-activated persulfate at pH 3, 7, and 10. TP269a (SMX-hydroxylamine) and TP178 were identified as the dominant TPs across the pH levels. The exclusive formation of 4-nitroso-SMX, 4-nitro-SMX, and TP518 at pH 3 highlighted the role of SO4•– in attacking the NH2. At pH 7 and 10, 3A5MI emerged as the dominant TP. Carbon isotopic fractionation (εC = −1.3 ± 0.5‰, −1.1 ± 0.4‰, and −1.1 ± 0.3‰ at pH 3, 7, and 10) remained consistent across pH levels, caused by the formation of TP178 involving C–S bond cleavage. An inverse nitrogen isotope fractionation at pH 3 (εN = +0.68 ± 0.11‰) was associated with SO4•–-induced single-electron transfer. Conversely, normal nitrogen isotope fractionation at pH 10 (εN = −0.27 ± 0.04‰) was associated with N–H bond cleavage by H abstraction through HO• and N–S bond cleavage. The inverse nitrogen isotope fractionation at pH 7 indicated that the dominant pathway involved SO4•– reactions, accounting for 74%. Overall, the results highlight the potential of CSIA to elucidate SMX oxidation pathways. |
| dauerhafte UFZ-Verlinkung | https://www.ufz.de/index.php?en=20939&ufzPublicationIdentifier=30573 |
| Liu, X., Köpke, J., Akay, C., Kümmel, S., Imfeld, G. (2025): Sulfamethoxazole transformation by heat-activated persulfate: Linking transformation products patterns with carbon and nitrogen isotope fractionation Environ. Sci. Technol. 59 (11), 5704 - 5714 10.1021/acs.est.4c09732 |
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