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A single-shot measurement of time-dependent diffusion over sub-millisecond timescales using static field gradient NMR

Teddy X. Cai, Nathan H. Williamson, Velencia J. Witherspoon, Rea Ravin, Peter J. Basser

2021The Journal of Chemical Physics13 citationsDOIOpen Access PDF

Abstract

Time-dependent diffusion behavior is probed over sub-millisecond timescales in a single shot using a nuclear magnetic resonance static gradient time-incremented echo train acquisition (SG-TIETA) framework. The method extends the Carr–Purcell–Meiboom–Gill cycle under a static field gradient by discretely incrementing the π-pulse spacings to simultaneously avoid off-resonance effects and probe a range of timescales (50–500 µs). Pulse spacings are optimized based on a derived ruleset. The remaining effects of pulse inaccuracy are examined and found to be consistent across pure liquids of different diffusivities: water, decane, and octanol-1. A pulse accuracy correction is developed. Instantaneous diffusivity, Dinst(t), curves (i.e., half of the time derivative of the mean-squared displacement in the gradient direction) are recovered from pulse accuracy-corrected SG-TIETA decays using a model-free log-linear least squares inversion method validated by Monte Carlo simulations. A signal-averaged 1-min experiment is described. A flat Dinst(t) is measured on pure dodecamethylcyclohexasiloxane, whereas decreasing Dinst(t) is measured on yeast suspensions, consistent with the expected short-time Dinst(t) behavior for confining microstructural barriers on the order of micrometers.

Topics & Concepts

MillisecondThermal diffusivityPulse (music)Pulsed field gradientDiffusionComputational physicsNuclear magnetic resonanceChemistryAnalytical Chemistry (journal)PhysicsMolecular physicsOpticsThermodynamicsAstronomyDetectorChromatographyNMR spectroscopy and applicationsAdvanced NMR Techniques and ApplicationsAdvanced Neuroimaging Techniques and Applications
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