Interactions of Sulfobetaine Zwitterionic Surfactants with Water on Water Surface
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Bibliographic record
Abstract
We carried out a combined study using surface tension, phase-sensitive frequency generation (SFG) vibrational spectroscopy, and MD simulations to investigate the industrially relevant zwitterionic surfactant N -dodecyl- N, N -dimethyl-3-ammonio-1-propanesulfonate (DDAPS) on water surface. The SFG Im(χ (2) ) spectra showed that the interaction between DDAPS and water was different from those between biologically relevant zwitterionic phospholipids and water. While zwitterionic phospholipids were found to be anionic-like and flipped water molecules with their OHs pointing toward the air, DDAPS oriented water molecules with their OHs mostly pointing toward the liquid water. We built a new force field for the MD simulation which produced the correct surface tension of water with various DDPAS coverage. The MD simulation showed that the head groups of DDPAS were nearly parallel to the water surface. When the surface coverage of DDPAS was increased, the averaged tilting angle of DDPAS’s tails decreased, but it had little effect on the orientation of the headgroup. The sulfobetaine zwitterionic surfactant was found to be more cationic-like because the positively charged group was more capable of orienting interfacial water.
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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) | 0.006 | 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 it