We have recently completed a collaborative study aimed at discussing a qNMR platform method for broader and more consistent application. Our findings indicate that most compounds exhibit T1 values below 18 seconds. To ensure a universally applicable and user-friendly approach, we have standardized the method as follows:
- For a 90° flip angle, T1 is set to 90 seconds.
- For a 30° flip angle, T1 is set to 45 seconds.
This standardization helps beginners, particularly those new to qNMR, obtain reliable and reproducible results. By avoiding the pitfalls of default settings—such as inappropriately short D1 values (~1 second)—this approach enhances quantitative accuracy and mitigates skepticism about the reliability of qNMR methods.
Our study is now finalized and will be published soon—stay tuned!
Looking ahead, we are considering using the nonlinear regression model to predict T1 values or the appropriate D1 relaxation delay with minimal experimental data. Inspired by Bayesian optimization, which can generate predictions with only three data points, the chemometrics methods could significantly improve efficiency and accuracy.
We welcome any thoughts or suggestions on this next phase of our work. Please feel free to share your ideas!