Computational pipeline for estimation of small-molecule T1 relaxation times.
Journal of Magnetic Resonance(2020)
摘要
•Hyperpolarized magnetic resonance spectroscopy allows real-time study of in vivo metabolism.•Many molecules are poor candidates due to short T1 relaxation times.•Simulations represent a cost-effective alternative to empiric T1 measurements.•The described pipeline allows T1 prediction to enable rapid screening of probes.
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关键词
Hyperpolarization,Spectroscopy,Simulation,T1,Pyruvate
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