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Record W2332312048 · doi:10.1107/s0108767310094298

Structural and systematic studies of a 3x3 isomer grid of nine<i>N</i>-(fluorophenyl)pyridinecarboxamides

2010· article· en· W2332312048 on OpenAlexaff
John F. Gallagher, Pavle Mocilac, Alan J. Lough

Bibliographic record

VenueActa Crystallographica Section A Foundations of Crystallography · 2010
Typearticle
Languageen
FieldChemistry
TopicMolecular Sensors and Ion Detection
Canadian institutionsUniversity of Toronto
Fundersnot available
KeywordsGridChemistryComputer scienceMathematicsGeometry

Abstract

fetched live from OpenAlex

Page s251 s251Mixtures of γ-oryzanol and β-sitosterol can form transparent organogels in edible oils.This process is a nice example of molecular self-assembly, where γ-oryzanol and β-sitosterol molecules form very well-defined supramolecular entities.Small-angle X-ray scattering (SAXS) was used to elucidate the microstructure of the building blocks of these organogels in sunflower oil [3].The measurements were performed at the high-brilliance ID2 beamline of the European Synchrotron Radiation Facility (ESRF) in Grenoble, France, allowing collection of SAXS data in the range 0.06<q/nm-1<4.5.Differential Scanning Calorimetry (DSC) was used to study the dissolution, melting and crystallisation behaviour of these systems during a heating-cooling-heating cycle.It was found that the γ-oryzanol + β-sitosterol system forms tubules with a diameter of 7.2±0.1 nm and a wall thickness of 0.8±0.2nm.Tubules prepared with γ-oryzanol-rich structurant show the least bundle formation, and can be supercooled during formation most easily.The tubes vanish at the melting point of the gel, in agreement with the loss of structuring capacity as observed in earlier experiments.Moreover, a number of alternative sterols (e.g.stigmasterol, cholesterol, cholestanol) can replace β-sitosterol in the tubules.The diameter of the tubules for these systems varies between 7.2 and 8.0 nm, the wall thickness between 0.6 and 1.1 nm.The microstructure of the sterol(esters) in emulsions differs from that in pure oil.

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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation 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 score0.005

Distilled classifier scores by category (both heads)

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)0.0020.000

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 head0.253
Teacher spread0.240 · 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 source (direct Gemma or distilled Codex), 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".

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Citations0
Published2010
Admission routes1
Has abstractyes

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