Self-assembly of alternating copolymers and the role of hydrophobic interactions: characterisation by molecular modelling
Bibliographic record
Abstract
This paper describes the characterisation and the properties of amphiphilic alternating copolymers and their self-assembly into nanoarchitectures in aqueous solution. To investigate the role of the nature of the hydrophobic groups on the association, the self-assembly of two different polymers are compared: poly(isobutylene-alt-maleic anhydride) (IMA) and poly(styrene-alt-maleic anhydride). A structural analysis using computational methods is performed to investigate and characterise the behaviour of IMA chains at different pH values. The optimisation of IMA at different pH values is performed using a complete conformational method which applied both semi-empirical and ab initio molecular modelling methods. The present paper describes in detail the conformational analysis of IMA, the association among IMA chains to form the nanostructures and discusses the influence of the nature of the hydrophobic groups on the association. The theoretical prediction is also compared to experiment.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot 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.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
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".