Bibliographic record
Abstract
Advances in analytical chemistry have resulted in a growing body of literature showing measurable concentrations of pharmaceuticals in both drinking and wastewater.Removal of such chemicals is typically inefficient and often poorly characterized.To characterize one such method of removal (micellar enhanced ultrafiltration, (MEUF)), interactions of a cetyl trimethylammonium bromide (CTABr) surfactant and sulfonamide antibiotics were examined by NMR and semi-equilibrium dialysis (SED).The locus and orientation of binding in a micelle was established for seven sulfonamides by 1 H NMR, and it was found that hydrophilic sulfonamides showed weak coordination with the micelle, whereas hydrophobic sulfonamides penetrated into the micellar interior with coordination of the SO 2 NH group to the charged surface layer.Binding constants were determined by 1 H NMR and showed apparent order of magnitude differences between nuclei.Several compounds were unable to be characterized in this manner due to low change in chemical shift with addition of CTABr.SED was performed as an alternative method to determine binding constants.Values determined in this manner were higher than those determined by 1 H NMR. Binding constants were converted into changes in Gibbs free energy and used to evaluate and, where necessary, modify the orientation and locus proposed by 1 H NMR.Erwin Buncel, whose knowledge and encouragement were invaluable.Also, my thanks to Dr.
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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 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.006 | 0.002 |
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; both teacher heads agree on what is shown here.
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".