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Record W3201355511 · doi:10.33774/chemrxiv-2021-q6hq6

Highly regioselective surface acetylation of cellulose and shaped cellulose constructs in the gas-phase

2021· preprint· en· W3201355511 on OpenAlexaff
Tetyana V. Koso, Marco Beaumont, Blaise L. Tardy, Daniel Rico del Cerro, Samuel Eyley, Wim Thielemans, Orlando J. Rojas, Ilkka Kilpeläinen, Alistair W. T. King

Bibliographic record

Venuenot available
Typepreprint
Languageen
FieldMaterials Science
TopicAdvanced Cellulose Research Studies
Canadian institutionsUniversity of British Columbia
FundersEuropean Research CouncilChina Scholarship CouncilAcademy of FinlandUniversity of MelbourneAalto-YliopistoEuropean Commission
KeywordsCelluloseCellulosic ethanolRegioselectivityAcylationAcetylationGas phaseChemistryPhase (matter)Chemical engineeringOrganic chemistryMaterials scienceCatalysisBiochemistry

Abstract

fetched live from OpenAlex

Gas-phase acylation of cellulose is an attractive method for modifying the surface properties of cellulosics. However, little is known concerning the regioselectivity of the chemistry, in terms of which cellulose positions are preferentially acylated and if acylation can be restricted to the surface, preserving crystallinities/morphologies. Consequently, we reexplore simple gas-phase acetylation of modern-day cellulosic building blocks – cellulose nanocrystals, pulps, regenerated fibre and aerogels. The gas-phase acetylation is shown to be highly regioselective for the C6-OH, is further supported with computational modelling. This contrasts with liquid-state acetylation, highlighting that the gas-phase chemistry is much more controllable, yet with similar kinetics to the uncatalyzed liquid-phase reactions. Furthermore, this method preserves both the native crystalline structure of cellulose and the supramolecular morphologies of even delicate cellulosic constructs (aerogel exhibiting retention of chiral cholesteric liquid crystalline phases). Therefore, we are convinced that this methodology will lead to more rapid adoption of precisely tailored and cellulosic materials

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 score0.001
Threshold uncertainty score0.004

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)0.0010.000

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 head0.032
GPT teacher head0.316
Teacher spread0.283 · 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

Citations1
Published2021
Admission routes1
Has abstractyes

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