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Record W1997391211 · doi:10.1071/ch12292

Photoproducts of 7-Hydroxycoumarins in Aqueous Solution

2012· article· en· W1997391211 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

VenueAustralian Journal of Chemistry · 2012
Typearticle
Languageen
FieldMedicine
TopicSynthesis of Organic Compounds
Canadian institutionsSmiths Detection (Canada)
FundersMinisterio de Ciencia e InnovaciónVictoria University of Wellington
KeywordsChemistryProtonationDimerPhotodissociationMonomerPhotochemistryMass spectrumAqueous solutionIonMass spectrometryOrganic chemistryChromatography

Abstract

fetched live from OpenAlex

Near-UV irradiation of aqueous solutions of 7-hydroxy-6-methoxycoumarin (scopoletin) and 6,7-dihydroxycoumarin (esculetin) resulted in the formation of dimers. Substantially greater amounts of the 7-hydroxy-6-methoxycoumarin photodimer were produced compared with that of 6,7-dihydroxycoumarin. Fluorescence spectra indicated that the initial photolytic reaction involves the excited state of the phenolate form of the monomeric coumarin. The electro-spray ionization (ESI) mass spectrum suggested that the major product (with a sodiated quasimolecular ion at m/z 405) from the photolysis of scopoletin in water had formed by oxidative dimerisation and possibly had a 3,3'-bond. A second dimer (with a sodiated quasimolecular ion at m/z 407) was probably a 2 + 2 cyclodimer. This work concluded that photolysis of coumarins in water results in oxidative dimerisation whereas photolysis in the solid state or in organic solvents results in cyclodimerisation. Minor monomeric photoproducts were a dihydroxy-6-methoxycoumarin from 7-hydroxy-6-methoxycoumarin and a trihydroxycoumarin from 6,7-dihydroxycoumarin. During ESI-mass spectrometry (ESI-MS), sodiated quasimolecular ions of the photodimer formed more readily than protonated quasimolecular ions and the sodiated ions did not fragment readily. Protonated quasimolecular ions of the monomeric coumarins formed more readily than their sodiated counterparts and the protonated ions fragmented to create daughter ion spectra that were useful for chemical structural assignment.

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 score0.013
Threshold uncertainty score0.751

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)0.0010.000

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 head0.025
GPT teacher head0.277
Teacher spread0.253 · 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