Limitations and generalizations of the first order kinetics reaction expression for modeling diffusion-driven exchange: Implications on NMR exchange measurements DOI Creative Commons
Alfredo Ordinola, Evren Özarslan, Ruiliang Bai

et al.

The Journal of Chemical Physics, Journal Year: 2024, Volume and Issue: 160(8)

Published: Feb. 22, 2024

The study and modeling of water exchange in complex media using different applications diffusion relaxation magnetic resonance (MR) have been interest recent years. Most models attempt to describe this process a first order kinetics expression, which is appropriate chemical exchange; however, it may not be suitable diffusion-driven since has no direct relationship dynamics molecules. In paper, these limitations are addressed through more general expression that does consider such important properties. This fraction features multi-exponential recovery at short times mono-exponential decay long times, both captured by the expression. Furthermore, simplified expressions containing partial information analyzed system's processes geometry proposed, can potentially employed already established estimation protocols. Finally, fractions estimated from simulated MR data derived here were compared, showing qualitative similarities but quantitative differences, suggesting paper partially recovered employing an existing framework.

Language: Английский

Limitations and generalizations of the first order kinetics reaction expression for modeling diffusion-driven exchange: Implications on NMR exchange measurements DOI Creative Commons
Alfredo Ordinola, Evren Özarslan, Ruiliang Bai

et al.

The Journal of Chemical Physics, Journal Year: 2024, Volume and Issue: 160(8)

Published: Feb. 22, 2024

The study and modeling of water exchange in complex media using different applications diffusion relaxation magnetic resonance (MR) have been interest recent years. Most models attempt to describe this process a first order kinetics expression, which is appropriate chemical exchange; however, it may not be suitable diffusion-driven since has no direct relationship dynamics molecules. In paper, these limitations are addressed through more general expression that does consider such important properties. This fraction features multi-exponential recovery at short times mono-exponential decay long times, both captured by the expression. Furthermore, simplified expressions containing partial information analyzed system's processes geometry proposed, can potentially employed already established estimation protocols. Finally, fractions estimated from simulated MR data derived here were compared, showing qualitative similarities but quantitative differences, suggesting paper partially recovered employing an existing framework.

Language: Английский

Citations

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