Evaluation of the current methods for assigning molecular formulas to dissolved organic matter using high resolution mass spectrometry

Scientific Reports, Год журнала: 2025, Номер 15(1)

Опубликована: Март 8, 2025

Understanding DOM composition is essential for investigating the biogeochemical carbon cycle and related elements. However, methods assigning molecular formulas (MF) in high-resolution mass spectrometry remain poorly defined, which often resulting misidentification of components. In this study, we established a metrics evaluation framework assessing assignment results each method based on similarity, accuracy correctness. We selected six then evaluated them using different settings elemental limits, filter rules selection rules. Our findings reveal that Formularity TRFU are most suitable MF DOM. These two show high similarity ratios (93–99%) low Bray-Curtis distances (0.13–0.14), indicating more substantial capability. Their correctness rates (86–87%) chemical diversity errors (0.14–0.39) indicate accurate results. Other methods, TEnvR, ICBM MFAssignR, with separate filters, unassigned error up to 47% ± 18%, potentially omitting certain At moderate dissolved organic concentrations, performs better, while outperforms at both concentrations. This study provides recommendations selecting analytical DOM, facilitating deeper understanding its properties role aquatic ecosystems.

Язык: Английский

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Dynamic mechanical properties of concrete containing cellulose fiber subject to coupling action of multiple impacts and high temperature erosion: Effects and mechanism

Construction and Building Materials, Год журнала: 2025, Номер 471, С. 140714 - 140714

Опубликована: Март 11, 2025

Язык: Английский

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Unraveling the fate of phosphorus in alluvial aquifers of the middle-lower Yellow River: Coupled natural and anthropogenic impacts

Journal of Contaminant Hydrology, Год журнала: 2025, Номер unknown, С. 104551 - 104551

Опубликована: Март 1, 2025

Язык: Английский

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Spatio-temporal dynamics variation of dissolved organic matter and water quality parameters in Giheung Reservoir: A vertical perspective

Journal of Environmental Management, Год журнала: 2025, Номер 381, С. 125214 - 125214

Опубликована: Апрель 7, 2025

Язык: Английский

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Impacts of Nanobubbles on Fouling Control in Phosphorus Water Distribution Systems: Performance and Mechanism Investigation

Environmental Research, Год журнала: 2025, Номер 279, С. 121780 - 121780

Опубликована: Май 5, 2025

Язык: Английский

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Contribution of Microbial Metabolism to Geogenic Phosphorus Enrichment in Groundwater: Insights from Metagenomic Sequencing and Organic Molecular Characterization

Environmental Science & Technology, Год журнала: 2025, Номер unknown

Опубликована: Май 29, 2025

Microbial mediation in the enrichment of geogenic phosphorus (P) is often mentioned but rarely explored, especially P processes through mineralization dissolved organic matter (DOM) containing natural P. To bridge theoretical gap, this study investigated mechanisms microbially mediated P-containing DOM by adopting an approach combining comprehensive field investigation with hydrochemical and molecular biological analyses. The co-analysis dominant microbial community compositions genomics revealed that metabolism pathways involved biodegradation were associated level inorganic (DIP). Specifically, dephosphorylation was more pronounced under conditions limited DIP, while C-P bond cleavage primary metabolic pathway sufficient DIP. Co-occurrence network analysis further indicated substrates for DIP differed between cleavage, namely CHONSP1 compounds region highly unsaturated-low O (AI ≤ 0.5, H/C < 1.5, O/C 0.4) CHOP1 unsaturated-high ≥ 0.4), respectively. These findings provide new insights into groundwater from perspective have potential implications bioremediation P-contaminated at different contamination levels.

Язык: Английский

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Effects of reservoir construction on optical and molecular characteristics of dissolved organic matter in a typical P-contaminated river

Chemosphere, Год журнала: 2023, Номер 341, С. 140037 - 140037

Опубликована: Авг. 31, 2023

Язык: Английский

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Predicting groundwater phosphate levels in coastal multi-aquifers: A geostatistical and data-driven approach

The Science of The Total Environment, Год журнала: 2024, Номер 953, С. 176024 - 176024

Опубликована: Сен. 4, 2024

Язык: Английский

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Mobilization and enrichment of geogenic iodine in a floodplain groundwater system: New insights from sources and characterization of dissolved organic matter

The Science of The Total Environment, Год журнала: 2024, Номер 956, С. 177299 - 177299

Опубликована: Ноя. 6, 2024

Язык: Английский

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Assessment of physicochemical characteristics and identification of groundwater quality indicator parameters in Aizawl, Mizoram, Northeast India

Journal of Applied and Natural Science, Год журнала: 2023, Номер 15(4), С. 1572 - 1581

Опубликована: Дек. 20, 2023

The increase in population and rapid industrial development have resulted surface water pollution that stresses groundwater resources to ensure sustainable consumption human well-being. present study was aimed assess the physico-chemical characteristics heavy metal concentration of Aizawl city. also seeks determine indicator parameters quality through analysis variance (ANOVA) correlation coefficient relation properties. results revealed all were within regulatory standards, except turbidity (80.9 NTU) phosphate (0.6365 mg/L). Trace amounts Zinc (Zn) Copper (Cu) present; however, Iron (Fe) Manganese (Mn) slightly exceeded (Fe: 1.162 mg/L; Mn: 0.6892 mg/L) permissible limit. Statistically, two-way ANOVA temperature, chloride, total alkalinity (TA), hardness (TH), calcium, dissolved oxygen (DO) significant (p<0.001) both between sites seasons. Further, TH showed positive with solid (TDS) (R2=0.792), chloride (R2=0.52), TA (R2=0.62), calcium (R2=0.88), Zn (R2=0.61). Conversely, DO demonstrated negative (R2=-0.73), (R2=-0.52), phosphates (R2=-0.70), ammonia (R2=-0.81), Mn (R2=-0.58). These indicate can serve function as proxies for indirectly indicating presence concentrations other correlated parameters. Thus, act holistic monitoring Aizawl. identification play a key role future research cost-effective, rapid, seasonal management this resource.

Язык: Английский

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