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Record W7117421355 · doi:10.1021/acsestwater.5c00986

Self-Driven-Formed Cu(III) Enables Rapid Decomplexation of Cu(II)-EDTA in UV/Peroxymonosulfate under Acidic Conditions

2025· article· en· W7117421355 on OpenAlexaff
Deng Wei, Jiawei Xu, Junyi Yu, Yingqi Li, Min Zhao, Xianfeng Huang

Bibliographic record

VenueACS ES&T Water · 2025
Typearticle
Languageen
FieldEnvironmental Science
TopicAdvanced oxidation water treatment
Canadian institutionsUniversity of Northern British Columbia
FundersNational Natural Science Foundation of China
KeywordsLigand (biochemistry)Degradation (telecommunications)Quenching (fluorescence)DecarboxylationDensity functional theoryElectron paramagnetic resonanceMetalRadicalHydrogen peroxide

Abstract

fetched live from OpenAlex

Effective degradation of metal–organic complexes in wastewater remains a pressing challenge due to their strong coordination stability and resistance to oxidation. Conventional advanced oxidation processes (AOPs) often treat such complexes as passive targets, overlooking their intrinsic chemical reactivity. Here, we demonstrate that Cu(II)-EDTA, a representative coordination pollutant, can actively participate in a redox-mediated self-degradation process under UV-activated peroxymonosulfate (UV/PMS) conditions. Experimental and computational evidence reveals a Cu(II)–Cu(I)–Cu(III) transformation pathway, in which the high-valent Cu(III)-oxo species drive hydrogen abstraction and decarboxylation reactions. Acidic pH enhances ligand protonation, weakens coordination bonds, and increases α-C–H lability, thereby accelerating degradation, which does not occur at pH ≥ 7. Electron paramagnetic resonance (EPR), quenching tests, and kinetic modeling confirm the significant contribution of the in situ generation of Cu(III). Density functional theory (DFT) calculations support a mechanism involving Jahn–Teller distortion and spin-density redistribution, promoting the formation of Cu(III)-oxyl intermediates. The UV/PMS system achieves over 90% Cu(II)-EDTA removal in actual electroplating wastewater, demonstrating strong resistance to anions and moderate inhibition by natural organic matter. These findings redefine the role of metal complexes as reactive agents in AOPs and offer a mechanistic foundation for designing pollutant-induced, self-enhanced degradation strategies in engineered water treatment applications.

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 categoriesInsufficient 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 score0.122
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

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

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 head0.012
GPT teacher head0.253
Teacher spread0.241 · 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
Published2025
Admission routes1
Has abstractyes

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