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Record W4212910150 · doi:10.2533/chimia.2012.532

Inorganic & Coordination Chemistry: Abstracts 211-279

2012· article· en· W4212910150 on OpenAlexaff
Douglas W. Stephan, Maksym V. Kovalenko, Luciesägesser Andachim Ecker, Julie Risse, M.A. Fernandez-Zumel, Yanouk Cudré, Kay Severin, Stefan Knoppe, Igor Dolamic, Jaianand Garg, Alexander Szentkuti, Koushik Olivierblacque, Maurus Schmid, Thomas R. Ward, Markus Meuwly, Amos J. Rosenthal, Matthias Vogt, Bas de Bruin, Hansjörg Grützmacher

Bibliographic record

VenueCHIMIA International Journal for Chemistry · 2012
Typearticle
Languageen
FieldChemistry
TopicZeolite Catalysis and Synthesis
Canadian institutionsUniversity of Toronto
FundersÉcole Polytechnique Fédérale de Lausanne
KeywordsChemistryCoordination complexComputational biologyBiologyOrganic chemistry

Abstract

fetched live from OpenAlex

In an approach to design selectives olid catalysts we start fromt he knowledge,atthe molecularlevel,ofthe reactiontobecatalyzed.Thenhypothesisa re made on then atureo ft he actives itesr equired.A tt hisp oint we are readytosynthesizesolid materials, in where therequiredactivesitesare introduced as well definedentities.On topofthatthe adsorption propertiesof thesolid are taylored to optimizethe interactions between reactants, catalyst andproducts.Following this methodologyw ill presents olid catalysts in where thea ctive sitescorrespondtowelldefinedtransitionmetal complexesand organocatalysts thata re either graftedo rs tructurally builded into solids.In this case, ther oleo ft he solid can go beyond as imple support, since it is designed to interveneinthe reactioneither by stabilizing transitionstatesorbyintroducingadditionalactivesites.Well definedsingleormultiple activesitescan also be introduced into crystallinen anoporous materialsw ith controlleda dsorptionp roperties, andt his allows to perform newacidand redox,one step or multistepreactions.Finallyw ill show that by depositingm etal nanoparticles( Au, Pd,P t) on proactivesupports(CeO 2 ,Fe 2 O 3 ,MgO,hydrotalcites,etc.) we can open new catalytic reactionroutesf or C-Cbond formation, oxidations andreductions.These catalytic system allowt he design of multifunctionals olid catalysts, that are able to carryo ut multistepp rocess through cascadet yper eactions that were not possiblebefore.

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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient payload (model declined to judge)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: none
GenreCandidate signal: Other · Consensus signal: Other
Teacher disagreement score0.899
Threshold uncertainty score0.337

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0010.001
Science and technology studies0.0010.000
Scholarly communication0.0020.001
Open science0.0010.001
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.1010.037

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 head0.021
GPT teacher head0.282
Teacher spread0.261 · 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 source (direct Gemma or distilled Codex), not a consensus.

Study designNot applicable
Domainnot available
GenreOther

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

Citations0
Published2012
Admission routes1
Has abstractyes

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