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Record W3111109777 · doi:10.1139/cjc-2020-0408

Mechanochemistry for sustainable and efficient dehydrogenation/hydrogenation

2020· article· en· W3111109777 on OpenAlexafffundvenue
Blaine G. Fiss, Austin J. Richard, Tomislav Friščić, Audrey Moores

Bibliographic record

VenueCanadian Journal of Chemistry · 2020
Typearticle
Languageen
FieldEngineering
TopicInnovative Microfluidic and Catalytic Techniques Innovation
Canadian institutionsMcGill UniversityCentre in Green Chemistry and Catalysis
FundersCentre in Green Chemistry and CatalysisNatural Sciences and Engineering Research Council of CanadaCanada Research ChairsMcGill University
KeywordsMechanochemistryDehydrogenationChemistryCatalysisBall millGreen chemistryCommodity chemicalsOrganic chemistryNanotechnologyCombinatorial chemistryBiochemical engineeringChemical engineeringReaction mechanismMaterials science

Abstract

fetched live from OpenAlex

Hydrogenation and dehydrogenation reactions are one of the pillars of the chemical industry, with applications from bulk chemicals to pharmaceuticals manufacturing. The ability to selectively add hydrogen across double and (or) triple bonds is key in the chemist’s toolbox and the enabling component in the development of sustainable processes. Traditional solution-based approaches to these reactions are tainted by significant consumption of energy and production of solvent waste. This review highlights the development and applications of recently emerged solvent-free approaches to conduct the hydrogenation of organic molecules using mechanochemistry, i.e., chemical transformations induced or sustained by mechanical force. In particular, we will show mechanochemical techniques such as ball-milling enabled catalytic or stoichiometric metal-mediated hydrogenation and dehydrogenation reactions that are simple, fast, and conducted under significantly milder conditions compared with traditional solution routes. Importantly, we highlight the current challenges and opportunities in this field, while also identifying exciting cases in which mechanochemical hydrogenation strategies lead to new, unique targets and reactivity.

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 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: none
Teacher disagreement score0.003
Threshold uncertainty score0.009

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.001
Scholarly communication0.0010.001
Open science0.0000.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0030.001

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 head0.007
GPT teacher head0.194
Teacher spread0.187 · 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.

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

Citations13
Published2020
Admission routes3
Has abstractyes

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