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Record W4411054629 · doi:10.1021/acs.jctc.5c00334

Variations of the Depletion Zones around Inclusions Explain the Complexity of Brush-Induced Depletion Interactions

2025· article· en· W4411054629 on OpenAlexafffund
Daeseong Yong, Ji Woong Yu, Bae‐Yeun Ha, Changbong Hyeon

Bibliographic record

VenueJournal of Chemical Theory and Computation · 2025
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicProtein Structure and Dynamics
Canadian institutionsUniversity of Waterloo
FundersNatural Sciences and Engineering Research Council of CanadaKorea Institute for Advanced StudyNational Research Foundation of Korea
KeywordsBrushChemical physicsDepletion regionChemistryComputer scienceEnvironmental scienceMaterials scienceNanotechnologyComposite materialLayer (electronics)

Abstract

fetched live from OpenAlex

Depletion forces are relevant in a variety of contexts such as the phase behavior of colloid-polymer or colloid-depletant mixtures and clustering of inclusions in mobile brushes. They arise from the tendency to minimize the volume of the depletion zone formed around colloidal particles or inclusions. In comparison to depletion interactions widely studied for colloidal particles or polymers in a suspension of spherical depletants, depletion interactions between nonspherical inclusions in mobile polymer brushes display complex behaviors. When the brush is shorter than the inclusion height, the inclusions in brushes experience apparent attraction; yet, such attraction is reduced or even becomes repulsive when the brush is overgrown beyond the inclusion height. Here we use the self-consistent field theory (SCFT) to calculate the depletion zones around two cylindrical inclusions and offer a clear explanation of how these complex behaviors arise. In tall brushes, the changes of the depletion zone volume with varying intercylinder separation are opposite in sign at the upper and lower parts of cylinders. Consequently, in tall brushes, cylinders even shorter than the size of a correlation blob experience repulsion, but long cylinders attract each other. Our study reveals that brush-induced depletion interactions are decided by the complex interplay among the sizes of brushes, inclusions, and correlation blobs.

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: Simulation or modeling · Consensus signal: Simulation or modeling
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.001
Threshold uncertainty score0.003

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0010.000
Science and technology studies0.0000.000
Scholarly communication0.0000.001
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

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 head0.014
GPT teacher head0.285
Teacher spread0.271 · 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 designSimulation or modeling
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

Citations1
Published2025
Admission routes2
Has abstractyes

Explore more

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