Journal of Water Process Engineering, Год журнала: 2024, Номер 65, С. 105865 - 105865
Опубликована: Июль 24, 2024
Язык: Английский
Journal of Water Process Engineering, Год журнала: 2024, Номер 65, С. 105865 - 105865
Опубликована: Июль 24, 2024
Язык: Английский
Water Research, Год журнала: 2023, Номер 246, С. 120694 - 120694
Опубликована: Окт. 4, 2023
Язык: Английский
Процитировано
14Water Research, Год журнала: 2025, Номер 282, С. 123641 - 123641
Опубликована: Апрель 12, 2025
Язык: Английский
Процитировано
0Analytical Chemistry, Год журнала: 2024, Номер 96(25), С. 10210 - 10218
Опубликована: Июнь 13, 2024
Ultrahigh resolution mass spectrometry (UHRMS) routinely detects and identifies thousands of peaks in complex mixtures, such as natural organic matter (NOM) petroleum. The assignment several chemically plausible molecular formulas (MFs) for a single accurate still poses major problem the reliable interpretation NOM composition biogeochemical context. Applying sensible chemical rules MF validation is often insufficient to eliminate multiple assignments (MultiAs)─especially with low abundance or if ample heteroatoms isotopes are included - requires manual inspection expert judgment. Here, we present new approach based on error distributions identification true false among MultiAs. To this end, used millidalton (mDa), which was superior commonly relative ppm. We developed an automatic workflow group MultiAs their shared formula units Kendrick defect values evaluate distribution. In way, number valid chlorinated disinfection byproducts increased by 8-fold compared only applying 37Cl/35Cl isotope ratio filters. Likewise, phosphorus-containing MFs can be differentiated against chlorine-containing high confidence. Further, highly aromatic sulfur-containing ("black sulfur") sodium adducts negative ionization mode excluded our approach. Overall, that close detection limit where naturally occurring rare (e.g., 15N) absent P F) now validated, substantially increasing reliability broadening applicability UHRMS analysis even more samples processes.
Язык: Английский
Процитировано
2Environmental Science Water Research & Technology, Год журнала: 2024, Номер 10(8), С. 1964 - 1981
Опубликована: Янв. 1, 2024
Improved characterization of dissolved organic matter (DOM) in source waters used for drinking water treatment is necessary to optimize processes and obtain high quality.
Язык: Английский
Процитировано
2Analytical and Bioanalytical Chemistry, Год журнала: 2024, Номер unknown
Опубликована: Ноя. 11, 2024
Язык: Английский
Процитировано
1Journal of Water Process Engineering, Год журнала: 2024, Номер 65, С. 105865 - 105865
Опубликована: Июль 24, 2024
Язык: Английский
Процитировано
0