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Record W2897093767 · doi:10.1021/acs.jpcc.8b07767

Direct Observation of Phenoxy as the Key and Common Intermediate for the Decomposition of Lignin Fragments Containing the β-O-4 Linkage

2018· article· en· W2897093767 on OpenAlexafffund
Cherif Aghiles Ould Hamou, Javier B. Giorgi

Bibliographic record

VenueThe Journal of Physical Chemistry C · 2018
Typearticle
Languageen
FieldEngineering
TopicLignin and Wood Chemistry
Canadian institutionsUniversity of Ottawa
FundersNatural Sciences and Engineering Research Council of CanadaCentre National de la Recherche Scientifique
KeywordsChemistryDecompositionMoietyReactivity (psychology)AnisolePhenolLigninMoleculeChemical decompositionDesorptionStereochemistryOrganic chemistryCatalysis

Abstract

fetched live from OpenAlex

The decomposition of phenol, anisole, and 2-phenoxyethanol on Pt(111) in ultrahigh vacuum is studied as a model to understand the reactivity of the β-O-4 linkage in lignin. Desorption of the multilayer and monolayer is observed as well as the generation of decomposition products. Using RAIRS to monitor the vibrational signatures of all the species, we observed the appearance of the characteristic 1480 cm –1 vibration for the phenoxy group. This, in conjunction with changes in other bands, is used to identify the phenoxy species (as opposed to the oxocyclohexadienyl moiety) as the common key intermediate in the decomposition of the three molecules. The nature of the phenoxy species is discussed in comparison with previous literature and may lead to insight into the reaction–product selectivity of the decomposition.

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: Empirical
Teacher disagreement score0.002
Threshold uncertainty score0.005

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 studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0020.000

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 head0.011
GPT teacher head0.255
Teacher spread0.244 · 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

Citations6
Published2018
Admission routes2
Has abstractyes

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Same venueThe Journal of Physical Chemistry CSame topicLignin and Wood ChemistryFrench-language works237,207