Bibliographic record
Abstract
The hydration thermodynamics of the CONH group play a fundamental role for the stability of the native conformation of globular proteins, but cannot be measured in a direct manner. The values of the thermodynamic functions have to be extracted from experimental measurements on model compounds using group additivity approaches. The estimates determined by Makhatadze and Privalov in the temperature range 5100°C are used in the present study in view of their qualitative reliability. They are analyzed by means of a suitable approach that couples scaled particle theory calculations with the application of the modified Muller's model. It results that the negative entropy change is caused by the excluded volume effect for cavity creation, exaggerated in liquid water by the small size of water molecules themselves; the negative enthalpy change is determined by the H-bond energetics, formation of CONHwater H-bonds, and reorganization of waterwater H-bonds. The negative heat capacity change, a striking feature of CONH hydration thermodynamics, is because the H-bonds in the hydration shell of the CONH group are less broken than those in bulk water in the temperature range examined.Key words: peptide group, hydration, excluded volume effect, H-bonds, two-state model, negative heat capacity change.
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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".