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Record W2331300406 · doi:10.1021/jp109528h

Probing End-to-End Cyclization beyond Willemski and Fixman

2011· article· en· W2331300406 on OpenAlex
Shaohua Chen, Jean Duhamel, Mitchell A. Winnik

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

VenueThe Journal of Physical Chemistry B · 2011
Typearticle
Languageen
FieldChemistry
TopicPhotochemistry and Electron Transfer Studies
Canadian institutionsUniversity of TorontoUniversity of Waterloo
Fundersnot available
KeywordsExcimerPyreneChemistryIntramolecular forceQuenching (fluorescence)FluorescenceMonomerPhotochemistryAnalytical Chemistry (journal)StereochemistryPolymerPhysicsChromatographyOrganic chemistry

Abstract

fetched live from OpenAlex

A series of poly(ethylene oxide)s labeled at both ends with pyrene, (PEO(X)-Py(2), where X represents the number average molecular weight (M(n)) of the PEO chains and equals 2, 5, 10, and 16.5 K) was prepared together with one-pyrene-monolabeled PEO (PEO(2K)-Py). The process of end-to-end cyclization (EEC) was investigated by monitoring intramolecular excimer formation in seven organic solvents with viscosities (η) ranging from 0.32 to 1.92 mPa·s. The steady-state fluorescence spectra showed that excimer formation of PEO(X)-Py(2) decreased strongly with increasing η and M(n). The monomer and excimer time-resolved fluorescence decays were analyzed according to the traditional Birks' scheme. Birks' scheme analysis indicated that the decrease in excimer formation with increasing M(n) and η was due partly to a decrease in the rate constant of EEC, but most importantly, to a large increase in the fraction of pyrenes that did not form excimer (f(Mfree)). This result is in itself incompatible with Birks' scheme analysis which requires that f(Mfree) be the molar fraction of chains bearing a single pyrene at one chain end; in short, f(Mfree) does not depend on M(n) and η within the framework of Birks' scheme analysis. In turn, this unexpected result agrees with the framework of the fluorescence blob model (FBM) which predicts that quenching takes place inside a blob, which is the finite volume probed by an excited chromophore during its lifetime. Increasing M(n) and η results in a larger fraction of chains having a conformation where the quencher is located outside the blob resulting in an increase in f(Mfree). Equations were derived to apply the FBM analysis, originally designed to study randomly labeled polymers, to the end-labeled PEO(X)-Py(2) series. FBM analysis was found to describe satisfyingly the data obtained with the longer PEO(X)-Py(2) samples.

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 score0.027
Threshold uncertainty score0.545

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 head0.013
GPT teacher head0.227
Teacher spread0.214 · 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