Effect of the Structure of Bile Salt Aggregates on the Binding of Aromatic Guests and the Accessibility of Anions
Bibliographic record
Abstract
The binding of naphthalene (Np), 1-ethylnaphthalene (EtNp), acenaphthene (AcN), and 1-naphthyl-1-ethanol (NpOH) as guests to the aggregates of sodium cholate (NaCh), taurocholate (NaTC), deoxycholate (NaDC), and deoxytaurocholate (NaTDC) was studied with the objective of determining how the structure of the bile salts affects the binding dynamics of guests and quenchers with the bile salt aggregates. Time-resolved and steady-state fluorescence experiments were used to determine the binding efficiency of the guests with the aggregates and were also employed to investigate the quenching of the singlet excited state of the guests by iodide anions. Quenching studies of the triplet excited states using laser flash photolysis were employed to determine the accessibility to the aggregate of nitrite anions, used as quenchers, and the dissociation rate constants of the guests from the bile salt aggregates. The binding efficiency of the guests to NaDC and NaTDC is higher than for NaCh and NaTC, and the protection efficiency is also higher for NaDC and NaTDC, in line with the larger aggregates formed for the latter bile salts. The formation of aggregates is in part driven by the structure of the guest, where an increased protection efficiency and residence time can be achieved by the introduction of short alkyl substituents (AcN or EtNp vs Np). NpOH was shown to be located in a very different environment in all four bile salts when compared to AcN, EtNp, and Np, suggesting that hydrogen bonding plays an important role in the formation of the aggregate around NpOH.
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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 | 0.001 |
| 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) | 0.004 | 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".