Diffusion of molecular probes and the effects of their interactions with polymer matrices as studied by pulsed-field gradient NMR spectroscopy
Bibliographic record
Abstract
Pulsed-field gradient NMR spectroscopy was used to study the interactions between small molecular probes and polymers bearing interacting groups. The self-diffusion coefficients of ethylene glycol and its oligomers and their methyl ester derivatives in poly(vinyl alcohol) gels were measured to study the effect of hydrogen bonding. The self-diffusion coefficients of small molecular probes containing hydroxyl, amine, and carboxylic acid groups were determined in several polymer matrices including poly(vinyl alcohol), poly(allylamine), and poly(acrylic acid) bearing lateral hydroxyl, amine, and carboxylic acid groups, respectively. The ionic interactions between the functional groups of the diffusants and of the polymers exhibited a marked effect on the diffusion of the molecular probes. For example, the reduced self-diffusion coefficients measured for a diffusant with a carboxylic acid group in a poly(allylamine) matrix were shown to be lower even though the molecular masses of the diffusants are similar.Key words: pulsed-field gradient NMR spectroscopy, self-diffusion, intermolecular interactions.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| 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 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| 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 source (direct Gemma or distilled Codex), 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".