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Dataset: Generalised level anticrossings explain improved 19F SABRE hyperpolarisation under oscillating magnetic fields

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DataCite Commons2025-11-12 更新2026-05-04 收录
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https://etsin.fairdata.fi/dataset/07c6bb94-5b18-4d1c-9cac-61bc72232154
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# Overview Signal amplification by reversible exchange (SABRE) is a parahydrogen-based hyperpolarisation technique that significantly enhances nuclear magnetic resonance signals without expensive hardware. While conventional SABRE relies on a static polarisation transfer field set near the level anticrossing (LAC) condition, recent work has shown that oscillating fields can substantially boost the hyperpolarisation levels. Here, we develop a new theoretical model that generalises the LAC condition to account for the oscillating polarisation transfer fields, thereby explaining the spin dynamics of SABRE under such conditions. We demonstrate that the oscillating fields can be used to optimise coherent polarisation transfer while simultaneously suppressing scalar relaxation of the second kind. Large-scale spin dynamics simulations and experiments show enhanced 19F hyperpolarisation compared to conventional SABRE, with a 79% improvement observed experimentally. This work demonstrates a generalisable strategy for improving the efficiency of SABRE, advancing its potential for various applications, such as in biomedicine. # Data This dataset includes the following compressed archives: - Code.zip - Experiments.zip - Results.zip ## Code.zip This archive contains a clone of the GitHub repository of the project. It includes: - Jupyter notebooks to support the theoretical discussion - Jupyter notebooks for simple SABRE simulations - Python scripts for advanced SABRE simulations - Python scripts for experimental data processing ## Experiments.zip This archive contains the experimental files output by the spectrometer and the raw output of the data processing scripts. The experiment folders have been categorised using a consistent naming scheme : - Nucleus: 1H or 19F - Experiment type: FieldDep, BuildUp, Relaxation, Thermal Equilibrium - Applied magnetic field ## Results.zip This archive contains Excel sheets where both the experimental and simulated data have been organised and processed further. The data has been organised into three files: - Experimental results - 3 spin simulations - 8 spin simulations
提供机构:
Joni Eronen
创建时间:
2025-11-12
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