Structure, Selectivity, and Solvation of a Model Chiral Stationary Phase
Bibliographic record
Abstract
The presence of chirality at an interface enables a surface to distinguish between enantiomers. The mechanism by which this selectivity occurs is complicated by the surface morphology, the possible involvement of the solvent, and the characteristics of the chiral molecules at the surface. In this article, atomic force microscopy (AFM), chemical force titrations, density functional theory, and molecular dynamics simulations are employed to examine surfaces terminated by ( S )- and ( R )- N -(1-phenylethyl)- N ‘-[3-(triethoxysilyl)propylurea (PEPU). A “brush-type” chiral interface is formed by attaching the PEPU molecules to either an oxidized poly(dimethylsiloxane) or oxidized Si(111) substrate. Using AFM, the morphologies of the resulting chiral surfaces are obtained. Chemical force measurements of the chiral selectivity in the presence of water, methanol, hexane, and CS 2 have been performed. Ab initio studies provide descriptions of the hydrogen bonding between PEPU molecules at the interface. Molecular dynamics simulations are employed to examine the distribution of water, methanol, and CS 2 near PEPU interfaces.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot 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.
Codex and Gemma teacher scores by category
| 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) | 0.000 | 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 teacher head, 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".