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Record W3093808192 · doi:10.3390/molecules25214928

Photophysical Properties of Donor-Acceptor Stenhouse Adducts and Their Inclusion Complexes with Cyclodextrins and Cucurbit[7]uril

2020· article· en· W3093808192 on OpenAlexafffund
Liam Payne, Jason D. Josephson, R. Scott Murphy, Brian D. Wagner

Bibliographic record

VenueMolecules · 2020
Typearticle
Languageen
FieldMaterials Science
TopicPhotochromic and Fluorescence Chemistry
Canadian institutionsUniversity of ReginaUniversity of Prince Edward Island
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsCucurbiturilChemistrySupramolecular chemistryAdductFluorescenceTriphenylamineAqueous solutionCombinatorial chemistryPhotochemistryCavitandFluorescence spectroscopyMoleculeAcceptorCyclodextrinHost–guest chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Donor-acceptor Stenhouse adducts (DASAs) are a novel class of solvatochromic photoswitches with increasing importance in photochemistry. Known for their reversibility between open triene and closed cyclized states, these push-pull molecules are applicable in a suite of light-controlled applications. Recent works have sought to understand the DASA photoswitching mechanism and reactive state, as DASAs are vulnerable to irreversible “dark switching” in polar protic solvents. Despite the utility of fluorescence spectroscopy for providing information regarding the electronic structure of organic compounds and gaining mechanistic insight, there have been few studies of DASA fluorescence. Herein, we characterize various photophysical properties of two common DASAs based on Meldrum’s acid and dimethylbarbituric acid by fluorescence spectroscopy. This approach is applied in tandem with complexation by cyclodextrins and cucurbiturils to reveal the zwitterionic charge separation of these photoswitches in aqueous solution and the protective nature of supramolecular complexation against degradative dark switching. DASA-M, for example, was found to form a weak host-guest inclusion complex with (2-hydroxypropyl)-γ-cyclodextrin, with a binding constant K = 60 M−1, but a very strong inclusion complex with cucurbit[7]uril, with K = 27,000 M−1. This complexation within the host cavity was found to increase the half-life of both DASAs in aqueous solution, indicating the significant and potentially useful stabilization of these DASAs by host encapsulation.

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 score0.002
Threshold uncertainty score0.390

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)0.0000.000

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 head0.016
GPT teacher head0.192
Teacher spread0.176 · 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

Citations23
Published2020
Admission routes2
Has abstractyes

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