A spectral displacement study of cyclodextrin/naphthenic acids inclusion complexes
Bibliographic record
Abstract
The spectral displacement technique has been used to obtain 1:1 β-cyclodextrin (β-CD)/carboxylate anion equilibrium binding constants (K 2 ) for some complex mixtures of naphthenic acids (NAs) and some examples of single-component NAs in aqueous solution. Three specific examples of single-component NAs were chosen with variable Z values as follows: 2-hexyldecanoic acid (Z = 0; S1), trans-4-pentylcyclohexanecarboxylic acid (Z = –2; S2), and dicyclohexylacetic acid (Z = –4; S3). The estimated K 2 values for S1, S2, and S3 are as follows: 1.42 × 10 3 M –1 , 52.2 × 10 4 M –1 , and 13.1 × 10 4 M –1 , respectively. The corresponding K 2 values are 2.34 × 10 4 M –1 and 1.27 × 10 4 M –1 for commercial (Fluka) and industrial (Syncrude) sourced NAs, respectively. The magnitude of K 2 for 1:1 complexes formed between β-CD and S1, S2, or S3 did not correlate with the degree of hydrogen deficiency (Z-series) but there was a correlation with the size of the guest molecules (n) examined in this study. The correlation between complex stability and the relative size of the lipophilic fragments of the guest molecule are related to the importance of the hydrophobic effect for inclusion of such carboxylic acid guest molecules within β-CD.
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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 | 0.001 | 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".