MétaCan
Menu
Back to cohort
Record W7015725003

Synthesis of Deuterated Benzene for a Circular Deuterium Economy

2024· dissertation· en· W7015725003 on OpenAlexaboutno aff

Bibliographic record

VenueUWSpace (University of Waterloo) · 2024
Typedissertation
Languageen
FieldPharmacology, Toxicology and Pharmaceutics
TopicChemical Reactions and Isotopes
Canadian institutionsnot available
Fundersnot available
KeywordsDeuteriumBenzeneMoleculeHydrogen–deuterium exchangeRefineryWork (physics)
DOInot available

Abstract

fetched live from OpenAlex

Deuterium is an important natural isotope; its unique properties can impart significant effects on molecules with emerging applications across electronics and medicinal industries. Aromatic hydrocarbons or arenes are one example of such compounds where deuterium proves advantageous, breaching limitations in commercial organic-based electronics. Current methods introduce deuterium into molecules through direct hydrogen/deuterium (H/D) exchange reactions which depend on a reliable and high supply of deuterium that has been slowly dwindling in recent years. To continue the exploration of deuterium-enriched compounds and their applications, new methods that use deuterium conservatively to achieve efficient H/D exchange are needed. The Canadian company deutraMed™ has responded to this demand by developing a D2O refinery capable of recycling deuterium waste. Working in partnership, the work herein will discuss the development of an H/D exchange procedure to deuterate benzene that is compatible with the D2O refinery. Benzene is a simple arene that is a common motif in compounds related to organic electronics and pharmaceuticals. The large-scale production of deuterated benzene fuels the demand for a versatile building block to access an assortment of compounds relevant to these industries. The development of the H/D exchange procedure found success using hydrothermal conditions to achieve 96% deuteration of benzene at laboratory scale. The results of this work will be beneficial in the further development of this process on an industrial scale.

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 categoriesMeta-epidemiology (narrow)
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 score0.233
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0010.000
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 head0.039
GPT teacher head0.318
Teacher spread0.279 · 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.

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

Citations0
Published2024
Admission routes1
Has abstractyes

Explore more

Same venueUWSpace (University of Waterloo)Same topicChemical Reactions and IsotopesFrench-language works237,207