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Record W4409218578 · doi:10.1021/acssuschemeng.4c10519

Facile Fe-Based Hybrid Enables the Efficient Production of <i>N</i>-Oxyl Radical for the Aerobic Oxidation of Alkylarenes under Solvent-Free Conditions

2025· article· en· W4409218578 on OpenAlexaff
Xue Zhou, Anwei Wang, Xing Wang, Tao Hou, Weiyou Zhou, Junfeng Qian, Jia Cui, Mingyang He

Bibliographic record

VenueACS Sustainable Chemistry & Engineering · 2025
Typearticle
Languageen
FieldChemistry
TopicOxidative Organic Chemistry Reactions
Canadian institutionsPetro-Canada
FundersJiangsu Key Laboratory of Advanced Catalytic Materials and Technology DepartmentNatural Science Research of Jiangsu Higher Education Institutions of China
KeywordsChemistrySolventOrganic chemistryChemical engineering

Abstract

fetched live from OpenAlex

A facile Fe-based organic–inorganic hybrid material (BA-Mg 2 Fe) has been fabricated by using Mg 2 Fe layered double hydroxide (LDH) and benzoic acid (BA) as the precursors. The hybrid demonstrated significantly higher catalytic performance than the precursor in activating the N -hydroxyphthalimide molecule to the phthalimide N -oxyl species, predominantly by switching the hydrogen atom transfer to the proton-coupled electron transfer process. The enhancement of activity can be mainly attributed to the elevation of the positive charge of Fe 3+, which facilitates electron transfer, and the increased amount of the surface medium strong basic sites, which accelerates proton transfer. In addition, the hybrid BA-Mg 2 Fe catalyst coated with organic molecules had lower polarity and better compatibility with oxygen molecules and substrates compared to the precursor Mg 2 Fe-LDH. As a result, the conversion of ethylbenzene reached 74.8% with an excellent 96.1% selectivity of acetophenone in the aerobic oxidation of ethylbenzene under solvent-free conditions; the apparent activation energy ( E a ) decreased from 86.9 kJ/mol for Mg 2 Fe-LDH to 48.3 kJ/mol for BA-Mg 2 Fe, and the turnover frequency value boosted from 7.7 to 246.0 h –1 . The catalytic system also possesses the advantages of catalytical and structural stability, as well as tolerance of various substrates.

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)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
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 score0.128
Threshold uncertainty score0.890

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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 head0.006
GPT teacher head0.217
Teacher spread0.211 · 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.

The models applied no category: nothing in the taxonomy fit this work.
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

Citations3
Published2025
Admission routes1
Has abstractyes

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