Hydrophobic Amino Acid Adsorption on Surfaces of Varying Wettability
Bibliographic record
Abstract
The adsorption behavior of the model nonpolar amino acid leucine at a solid surface of tunable wetting ability has been examined by means of molecular dynamics simulation. When leucine adsorbs at a highly hydrophobic surface it is found to orient itself with its nonpolar side chain toward the surface and its charged amine and carboxyl groups directed toward the bulk. When the surface is less hydrophobic, leucine alternates between two stable orientations, a standing orientation like that observed at nonwetting surfaces, and a laying orientation in which its side chain and charged groups are located nearly the same distance from the surface. These results are rationalized by a water-density-dependent ordering scheme in which interfacial water structure governs the adsorbed structures. We pay particular attention to how the structure of surface water is changed in the presence of adsorbed leucine in both orientations. We propose that a water density model may be applied as a general technique for understanding adsorption from solution at solid hydrophobic surfaces.
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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) | 0.001 | 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 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".