MétaCan
Menu
Back to cohort
Record W4236281345 · doi:10.32920/ryerson.14660289

Synthesis of Metal-Coordinating Arenediynes and Study of their Reactivity in Bergman Cyclization

2021· preprint· en· W4236281345 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

Venuenot available
Typepreprint
Languageen
FieldChemistry
TopicCyclization and Aryne Chemistry
Canadian institutionsToronto Metropolitan University
Fundersnot available
KeywordsEnediyneDiradicalChemistryAlkeneCombinatorial chemistryStereochemistryComputational chemistryOrganic chemistryCatalysis

Abstract

fetched live from OpenAlex

The Bergman cycloaromatization (BC) in which a cis-alkene-1,2-diyne (enediyne) cyclizes to form a p-benzyne diradical, typically is a very endothermic reaction, requiring a substantial amount of energy (i.e. high temperature) for it to proceed. This reaction received very little attention until a decade after its discovery, when the natural enediynes were isolated and shown to be the most active antitumor agents every discovered. Having BC at the heart of their mode of action, these natural enediynes have been very challenging to mimic from synthetic standpoints. Of particular interest is to be able to design and synthesize an enediyne that is stable at room temperature, while also being capable of being triggered to undergo BC under ambient conditions. Although a relatively new concept, metal-induced BC reactions have generally been known to decrease the demanding energy barrier. The work presented here describes several synthetic strategies towards arenediyne crown eithers and the synthesis of several arenediyne hydrazone/Schiff base ligands with extended n-systems. These synthesized enediynes are useful ligands, capable of metal-cordination and hence potentially decreasing the BC energy barrier. BC reactions of enediyne intermediates are also reported.

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.

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 score0.211
Threshold uncertainty score0.915

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 science0.0000.001
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 head0.020
GPT teacher head0.258
Teacher spread0.238 · 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

Quick stats

Citations0
Published2021
Admission routes1
Has abstractyes

Explore more

Same topicCyclization and Aryne ChemistryFrench-language works237,207