Influence of High pH on the Organization of Acetonitrile at the Silica/Water Interface Studied by Sum Frequency Generation Spectroscopy
Bibliographic record
Abstract
The acetonitrile–water mixture is one of the most commonly used solvents in hydrophilic interaction chromatography, which contains silica as the solid phase. As such, the silica/acetonitrile–water interface plays a large role in the separation of compounds. Varying the pH is one way to influence retention times, particularly of ionizable solutes, yet the influence of high pH is often unpredictable. To determine how the structure of this interface changes with pH, we utilized the surface specific technique sum frequency generation (SFG). Previous SFG studies at neutral pH have suggested the existence of acetonitrile bilayers at the aqueous silica interface even at low acetonitrile mole fractions. Here we find that the SFG signal from 2900 to 3040 cm–1 at the silica/acetonitrile–water interface increased as we adjusted the aqueous pH from near neutral to high values. This increase in signal was attributed to a greater amount of aligned water which is consistent with an increase in silica surface charge at high pH. In contrast, complementary measurements of the silica/acetonitrile–deuterium oxide interface revealed that the acetonitrile methyl mode nearly vanished as the aqueous pH was increased. This loss of methyl mode signal is indicative of a decrease in the number density of acetonitrile molecules at the interface, as orientation analysis indicates no significant change in the net orientation of the outer leaflet of the acetonitrile bilayer over the pH range studied.
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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".