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Isolation and Identification of Mercury-Dissolved Organic Matter Complexes in Mercury-Humic Acid Suspensions

2024· preprint· en· W4402505260 on OpenAlexaff
Ghulam Hussain Qasim, Lisa Harris, Vaughn Mangal, Mario Montesdeoca, Svetoslava Todorova, Charles T. Driscoll

Bibliographic record

Venuenot available
Typepreprint
Languageen
FieldChemistry
TopicAnalytical chemistry methods development
Canadian institutionsBrock University
Fundersnot available
KeywordsMercury (programming language)Environmental chemistryDissolved organic carbonHumic acidOrganic matterChemistryEnvironmental scienceOrganic chemistry

Abstract

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The complexation of mercury (Hg) with dissolved organic matter (DOM) is a pivotal factor influencing transformations, transport, and bioavailability of Hg in aquatic environments. However, identifying these complexes poses a significant challenge because of their exceedingly low concentrations and presence of coexisting ions. In this study, mercury-dissolved organic matter (Hg-DOM) complexes were isolated through solid phase extraction (SPE) from Hg-humic acid suspensions and complexes were putatively identified using ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS). Dissolved organic carbon (DOC) and total Hg analysis before and after SPE showed an increase in DOC:Hg ratio. The DOC:Hg ratio was lower in extracts from cartridges with silica structure bonded with hydrocarbon chains (C18) than priority pollutant cartridges (PPL) cartridges at circumneutral pH, indicating that C18 was more effective at extracting DOM complexed Hg. These results were confirmed with FTICR-MS analysis, where two Hg-DOM complexes were putatively identified from PPL extracts as opposed to nine from C18 (Winnow score >75%). In addition, C 8 H 13 HgN 2 O 2 S, a molecular formula with a m/z ratio of 403.04, was identified across three separate extractions using a C18 cartridge, suggesting that the complexes were preserved during extraction and, presumably, electrospray ionization. These results highlight the effectiveness of the methodology developed in this study - SPE coupled with FTICR-MS for isolating and identifying Hg-DOM complexes. This approach allows for the exploration of the elemental and structural composition of Hg-DOM complexes, which affects Hg speciation, bioavailability, and transformations in aquatic ecosystems.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Insufficient payload (model declined to judge)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.029
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.001
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0090.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.028
GPT teacher head0.305
Teacher spread0.276 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations1
Published2024
Admission routes1
Has abstractyes

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