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Record W4408873606 · doi:10.1063/5.0251148

The dynamics of substituted benzoate anions undergoing counterion condensation in lamellar phase dispersions

2025· article· en· W4408873606 on OpenAlexafffund
Iain McKenzie, Victoria L. Karner, Leanna M. Karn, Brian P. Mulley, R. Scheuermann, I. Tucker

Bibliographic record

VenueThe Journal of Chemical Physics · 2025
Typearticle
Languageen
FieldChemistry
TopicSurfactants and Colloidal Systems
Canadian institutionsSimon Fraser UniversityUniversity of WaterlooTRIUMF
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsChemistryCounterionRelaxation (psychology)Resonance (particle physics)MethylenePhase (matter)ChlorideCrystallographyPhotochemistryMedicinal chemistryIonOrganic chemistry

Abstract

fetched live from OpenAlex

We have studied the interaction of three ortho-substituted benzoate anions (2-ethylbenzoate, 2-chlorobenzoate, and 2-hydroxybenzoate) and three para-substituted benzoate anions (4-ethylbenzoate, 4-chlorobenzoate, and 4-hydroxybenzoate) with lamellar phase dispersions of the di-chain cationic surfactants 2,3-diheptadecyl ester ethoxypropyl-1,1,1-trimethyl-ammonium chloride (DHTAC) and dioctadecyl-dimethyl-ammonium chloride (DODMAC) using avoided level crossing muon spin resonance (ALC-μSR) spectroscopy. Highly polarized spin probes were produced in situ by the addition of muonium to the aromatic anions, and the muon and methylene proton hyperfine coupling constants (hfccs) of these radical anions were determined from the Δ1 and Δ0 resonance fields in the ALC-μSR spectra. The motionally averaged dipolar muon hfccs, |Dμ‖|, were determined from the width and amplitude of the Δ1 and Δ0 resonances and used to estimate the extent of reorientational motion. The results are consistent with the counterions being electrostatically trapped near the oil/water interface of the surfactant bilayer and undergoing large amplitude anisotropic motion. This motion is generally more restricted in DODMAC bilayers compared with DHTAC, which is likely related to the relative flexibility of the headgroups to which the counterions are loosely bound. The motion of the ortho isomers is generally more restricted than the para isomers, while there is no obvious trend regarding the ethyl, chloro, and hydroxy substituents.

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 score0.052
Threshold uncertainty score0.212

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 head0.009
GPT teacher head0.261
Teacher spread0.252 · 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

Citations0
Published2025
Admission routes2
Has abstractyes

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