Measuring the velocity autocorrelation function using diffusion NMR
Bibliographic record
Abstract
Molecular self-diffusion in the presence of barriers results in time-dependent displacements that are controlled by barrier characteristics, such as thickness, arrangement, and permeability, which manifests itself in the form of the ensemble-average velocity autocorrelation function (VAF). We describe a direct method to measure the VAF based on a combination of diffusion-weighted nuclear magnetic resonance (NMR) measurements in which two time-shifted diffusion encodings are separated by a longitudinal storage period. The VAF estimated from simulated data is shown to agree with the known expression for impermeable parallel planes. Simulations of diffusion in periodically spaced, permeable planes and connected, box-shaped pores are also presented. We find that scaling of the VAF faster than t-1/2 is indicative of barrier permeation or exchange between domains and that this can be captured by the proposed method. As an experimental proof-of-concept, we present data from an ex vivo neonatal mouse spinal cord studied using a permanent magnet NMR MOUSE system. We report a transition from t-1/2 to t-3/2 scaling at t ≈ 10 ms, consistent perhaps with transmembrane water exchange. Compared to other NMR-based approaches, this method can potentially access several orders of magnitude in time (ms - s), revealing a wealth of VAF behaviors with one experimental paradigm.
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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 | 0.001 | 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".