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Record W4311702261 · doi:10.1002/cssc.202202001

Elucidating the Reaction Pathways of Veratrylglycero‐β‐Guaiacyl Ether Degradation over Metal‐Free Solid Acid Catalyst with Hydrogen**

2022· article· en· W4311702261 on OpenAlexafffund
Hao Ruan, Zhangyang Xu, Adarsh Kumar, Maoqi Feng, Andrew Lipton, Éric Walter, Rafał Gieleciak, Hari P. Paudel, Yuhua Duan, Bin Yang

Bibliographic record

VenueChemSusChem · 2022
Typearticle
Languageen
FieldEngineering
TopicLignin and Wood Chemistry
Canadian institutionsNatural Resources Canada
FundersBiological and Environmental ResearchNatural Resources CanadaU.S. Department of AgricultureWashington State UniversityOffice of ScienceGovernment of CanadaOffice of Energy Efficiency and Renewable EnergyU.S. Department of Energy
KeywordsChemistryHydrogenolysisGuaiacolCatalysisOrganic chemistryLigninMagic angle spinningAqueous solutionNuclear magnetic resonance spectroscopy

Abstract

fetched live from OpenAlex

Abstract Efficient cleavage of β‐O‐4 bonds in lignin to high‐yield aromatic compounds for the potential production of fuels and chemicals is vital for the economics of the modern biorefinery industry. This work is distinct in that a detailed mechanistic analysis of the reaction pathways of veratrylglycero‐β‐guaiacyl ether (VGE) catalyzed by transition‐metal‐free solid acid zeolite in aqueous conditions at high hydrogen pressure has been performed. VGE degradation produced high monomers yields (≈87 %), including guaiacol (48.2 %), 1‐(3,4‐dimethoxyphenyl)ethanol (10.3 %), 1‐(3,4‐dimethoxyphenyl)‐2‐propanol (6.1 %), 3,4‐dimethoxyphenylpropanol (4.7 %), 3,4‐dimethoxycinnamyl alcohol (4.1 %), and 1,2‐dimethoxy‐4‐propylbenzene (2 %). The products were identified and confirmed by the in situ solid‐state magic angle spinning (MAS) 13 C NMR spectroscopy in real‐time conditions and the two‐dimensional gas chromatography (GC×GC). A variety of products reveal the crucial role of hydrogen, water, and acid sites for heterolytic cleavage of the β‐O‐4 bond in VGE. Decarbonylation, hydrogenolysis, hydrogenation, and dehydration reaction pathways are proposed and further validated using first‐principles calculations.

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 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 score0.014
Threshold uncertainty score0.634

Codex and Gemma teacher scores by category

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

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 head0.010
GPT teacher head0.192
Teacher spread0.182 · 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

Citations9
Published2022
Admission routes2
Has abstractyes

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