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Record W2769383041 · doi:10.1021/acs.jpcb.7b08414

Characterization of the Distribution of Pyrene Molecules in Confined Geometries with the Model Free Analysis

2017· article· en· W2769383041 on OpenAlexafffund
Xinzhi Cao, Remi Casier, Hunter Little, Jean Duhamel

Bibliographic record

VenueThe Journal of Physical Chemistry B · 2017
Typearticle
Languageen
FieldChemistry
TopicSurfactants and Colloidal Systems
Canadian institutionsUniversity of Waterloo
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsMicellePyreneExcimerChemistryReaction rate constantSodium dodecyl sulfatePulmonary surfactantQuenching (fluorescence)Mole fractionAggregation numberMoleculeMonomerBinding constantCritical micelle concentrationPhotochemistryKineticsAnalytical Chemistry (journal)FluorescenceAqueous solutionOrganic chemistryPhysical chemistryPolymerBinding site

Abstract

fetched live from OpenAlex

Evidence is provided showing that global Model Free Analysis (MFA) of monomer and excimer fluorescence decays of pyrene dissolved in aqueous solutions of sodium dodecyl sulfate (SDS) provides the same structural and dynamic information on SDS micelles as the well-established Micelle Model (MM) does. Both MFA and MM were employed to characterize the quenching kinetics between dyes and quenchers located in surfactant micelles and the aggregation number of surfactant micelles. However, contrary to the MM, which assumes that dyes and quenchers distribute themselves among SDS micelles according to a Poisson distribution and react with a rate constant that is proportional to the number of reactants in a micelle, the MFA accomplishes this task without making any assumption about the process of pyrene excimer formation in SDS micelles. The ability of the MFA to retrieve accurately the molar fraction of pyrene molecules that are isolated in SDS micelles and do not form excimers was taken advantage of to establish that it equaled the Poisson probability of exciting micelles that contained a single pyrene. The molar fraction of isolated pyrenes could then be utilized to determine the aggregation number of the SDS micelles, and the rate constant of excimer formation between one excited- and one ground-state pyrene located inside a same micelle. Within experimental error, both the MFA and MM yielded the same micelle aggregation number and rate constant of excimer formation, with the MFA making no prior assumptions about the physical principles underlying the process of excimer formation contrary to the MM. The ability of the MFA to retrieve quantitative parameters providing structural and dynamic information about macromolecular systems with no prior knowledge about their architecture or labeling scheme implies that it can be applied to characterize a wide range of macromolecular architectures in solution.

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 score0.026
Threshold uncertainty score0.181

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 science0.0010.000
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 head0.008
GPT teacher head0.216
Teacher spread0.208 · 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

Citations9
Published2017
Admission routes2
Has abstractyes

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