MétaCan
Menu
Back to cohort
Record W4408241739 · doi:10.1002/cctc.202401941

Trapping Hydrogen: Confined Catalysis for Improved Alcohol Amination Selectivity

2025· article· en· W4408241739 on OpenAlexafffund
Júlio C. S. Terra, Jackson DeWolfe, Jesús Valdez, Audrey Moores

Bibliographic record

VenueChemCatChem · 2025
Typearticle
Languageen
FieldChemistry
TopicAsymmetric Hydrogenation and Catalysis
Canadian institutionsMcGill UniversityCentre in Green Chemistry and Catalysis
FundersCanada Foundation for InnovationMcGill University
KeywordsSelectivityAminationTrappingCatalysisAlcoholChemistryHydrogenHeterogeneous catalysisPhotochemistryOrganic chemistryCombinatorial chemistry

Abstract

fetched live from OpenAlex

Abstract Confined chemistry is a powerful tool in catalysis. In this study, we report hierarchical structures with controlled morphology able to trap labile intermediates and improve a catalytic cascade reaction. We used alcohol amination via hydrogen borrowing as model, a process that gives substituted amines from alcohols and does not require the addition of hydrogen to reduce the imines or the use of coupling agents. A common problem however in those systems is the loss of the borrowed hydrogen atoms, leading to stagnation of the product at the imine stage. To this end, we encapsulated Al 2 O 3 /Ru(OH) x nanocatalysts inside mesoporous silica in a yolk‐shell architecture and were able to trap the hydrogens to increase the amine yield from 12% to 82%, with a three‐fold increase in selectivity without the need of any additive. We found the presence of mesopores in the silica shells to be essential to enable access to the catalytic sites and the yolk‐shell gap size to be the key parameter influencing the reactivity of the catalytic system. To the best of our knowledge, this is the first report of a confined hydrogen borrowing reaction, an approach that can be extended to the other types of cascade reactions that produce labile intermediates.

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)
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 score0.137
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
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 head0.012
GPT teacher head0.266
Teacher spread0.254 · 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

Citations2
Published2025
Admission routes2
Has abstractyes

Explore more

Same venueChemCatChemSame topicAsymmetric Hydrogenation and CatalysisFrench-language works237,207