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Record W2926747570 · doi:10.1139/cjc-2018-0453

Role of hydrogen in ground and excited state studies of 2-aryl-3-hydroxychromenones in different solvents

2019· article· en· W2926747570 on OpenAlexvenueno aff
Kulvir Kaur, Jyoti Tomar, Manisha Bansal

Bibliographic record

VenueCanadian Journal of Chemistry · 2019
Typearticle
Languageen
FieldChemistry
TopicPhotochemistry and Electron Transfer Studies
Canadian institutionsnot available
Fundersnot available
KeywordsChemistryExcited stateTautomerIntramolecular forceThiopheneGround stateMedicinal chemistryPhotochemistryFuranStereochemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Radical scavenging activity (%SC) of three 2-heteroaryl 3-hydroxy chromenones (3-HCs) relative to 3-hydroxy flavones (3-HF) has been determined, using 2,2-diphenyl-1-picrylhydrazyl (DPPH) as a radical scavenger both in methanol (MeOH) and acetonitrile (ACN) as solvents. Among the three 3-HCs, 2-(furan-2-yl)-3-hydroxy-4 H-chromen-4-one (FHC), 3-hydroxy-2-(thiophene-2-yl)-4H-chromen-4-one (THC), and 3-hydroxy-2-(pyrrol-2-yl)-4H-chromen-4-one (PHC), the last 3-HC was included in our earlier reported studies on absorption, emission, and excitation spectra. Detailed studies on the excited state intramolecular proton transfer (ESIPT) on PHC relative to other three 3-HCs have been given. Order of %SCs is PHC > FHC > THC > 3-HF in MeOH and PHC > FHC ≈ THC > 3-HF in ACN, which are similar to that of intensity ratio of normal and tautomeric forms (I N* /I T* ). Both %SC and I N* /I T* depend upon the potential of hydrogen of 3-hydroxy in 3-HCs in their ground and excited states, respectively. It has been found that for PHC, I N* /I T* and %SC are distinctly high compared with other chromenones. It is concluded that the determination of %SC can be as important as I N* /I T* for these.

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 score0.105
Threshold uncertainty score0.762

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 integrity0.0000.000
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 head0.009
GPT teacher head0.219
Teacher spread0.209 · 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

Citations1
Published2019
Admission routes1
Has abstractyes

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