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Record W2801282847 · doi:10.1021/acs.macromol.8b00098

NMR Study of the Dissolution of Core-Crystalline Micelles

2018· article· en· W2801282847 on OpenAlexafffund
Qing Yu, Dmitry Pichugin, Menandro Cruz, Gérald Guérin, Ian Manners, Mitchell A. Winnik

Bibliographic record

VenueMacromolecules · 2018
Typearticle
Languageen
FieldPhysics and Astronomy
TopicNMR spectroscopy and applications
Canadian institutionsUniversity of Toronto
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsMicelleChemistryDissolutionAnalytical Chemistry (journal)DecaneProton NMRDiffusionAqueous solutionPhysical chemistryOrganic chemistryThermodynamics

Abstract

fetched live from OpenAlex

Short fragments of the core-crystalline micelles formed by a sample of poly(ferrocenyldimethylsilane)-block-poly(isoprene) (PFS-b-PI) block copolymer (BCP) underwent self-seeding in decane when heated above its dissolution temperature. Variable temperature (VT) 1H NMR and diffusion-ordered pulsed-gradient spin–echo (DOSY) NMR were used to monitor the behavior of micelles that dissolved as a function of increasing temperature. We examined a sample of micelle fragments of PFS65-b-PI637 characterized by Ln = 39 nm and Lw/Ln = 1.13. The PI corona had high mobility and gave a 1H NMR signal in both micellar and unimer forms. In contrast, the PFS component could only be detected for the dissolved unimer. We found from 1H NMR that essentially all the BCP molecules were incorporated into the micelles at temperatures up to and including 50 °C, at the limit of NMR detection. Both PFS and PI resonances could be detected between 70 and 100 °C, and the integration ratio of the PFS-to-PI peaks increased with temperature. DOSY NMR measured the self-diffusion coefficients (Ds) of the micelle fragments and unimer at these temperatures. The hydrodynamic radii (Rh) for these species were calculated from Ds using the Stokes–Einstein equation. The PFS signals gave Rh values in the range of 5–6 nm at temperatures between 80 and 100 °C, consistent with unimer diffusion. PI signals were fitted by an exponential decay at 25 °C with Rh = 38 nm characteristic of the micelle fragments and at 90, 95, and 100 °C with Rh ≈ 6 nm, corresponding to unimer. At intermediate temperatures (70–85 °C), PI signals were fitted to a sum of two exponential terms, consistent with a fast diffusing species and a slow diffusing species. Interestingly, we noticed that the size of the micelle fragments at elevated temperatures (80 and 85 °C) was sensitive to sample history; samples heated directly to the elevated temperatures were found to be shorter than those heated stepwise.

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 score0.056
Threshold uncertainty score0.177

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 head0.012
GPT teacher head0.309
Teacher spread0.296 · 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

Citations14
Published2018
Admission routes2
Has abstractyes

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