Enhanced binding and conformational selectivity in affinity capillary electrophoresis using a water‐soluble resorcin[4]arene as intrinsic buffer and electrokinetic host
Bibliographic record
Abstract
Affinity capillary electrophoresis (ACE) is a widely used technique for quantifying non-covalent molecular interactions that is dependent on the specific buffer conditions selected. In this study, dynamic 1:1 host-guest inclusion complexation involving a charged resorcin[4]arene with a group of neutral corticosteroids was examined by ACE, where the macrocycle serves as both an intrinsic buffer and electrokinetic host. It was determined that over a 200% enhancement in the apparent binding constant (KB) was realized by ACE when using the host as an intrinsic buffer at pH 7.5 relative to an extrinsic sodium phosphate buffer system, which was also confirmed by 1H-NMR experiments. This report also revealed improved selectivity mediated by the discrete conformational properties of the complex among similar corticosteroid guests, as reflected by the complex mobility (mu(ep, AC)) or the relative change in complexation-induced mobility (1-mu(ep, AC)/mu(ep, C)). This latter property is a unique feature of ACE reflective of hydrodynamic size selectivity involving bulky guests or substrates. 1H-NMR and computer molecular modeling provided complementary information regarding the relative orientation, conformation and overall molecular area of the complex. The coupling of thermodynamic (KB) and electrokinetic (mu(ep, AC)) factors associated with complex formation in buffered solutions that minimize the effects of extrinsic electrolytes serves to enhance enthalpy-driven molecular recognition processes by ACE.
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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) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.000 | 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".