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Record W4210327375 · doi:10.1021/acs.jpcb.1c10305

Aqueous Self-Assembly of Hydrophobic Molecules Influenced by the Molecular Geometry

2022· article· en· W4210327375 on OpenAlexafffund
Linlin Zheng, Xiaohuan Ji, Jin Wen, Chien‐Lung Wang, Liping Zhu, Bin Sun, Xiaosong Wang, Meifang Zhu

Bibliographic record

VenueThe Journal of Physical Chemistry B · 2022
Typearticle
Languageen
FieldEnvironmental Science
TopicMembrane Separation Technologies
Canadian institutionsNational Institute for Nanotechnology
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsPeryleneAqueous solutionSelf-assemblyMoleculeDiimideChemistrySteric effectsHydrophobic effectSolventCrystallographyChemical engineeringPolymer chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Water, in addition to acting as a solvent, plays a constructional role in aqueous self-assembly. The hydrophobic molecule of POSS-PDI-POSS (POSS = polyhedral oligomeric silsesquioxanes, PDI = perylene diimide) has a shape anisotropy in which POSS is a ball-like bulky group and PDI is a flat aromatic group. The self-assembly of this molecule in water created assemblies with inner spaces due to the steric effect, which suppressed aromatic interactions of PDI and trapped water for the colloidal stability. By replacing POSS with dodecyl (C12), C12-PDI-C12 aggregated with extended aromatic interaction of PDI and less inner water. The resulting aggregates tended to agglomerate and precipitate. This discovery extended the scope of aqueous self-assembly by using the building blocks without amphiphilicity and created knowledge for biophysics.

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 score0.014
Threshold uncertainty score0.254

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 head0.004
GPT teacher head0.214
Teacher spread0.211 · 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

Citations4
Published2022
Admission routes2
Has abstractyes

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