Quantitative NMR Spectrum Acquisition With Batch Relaxation Correction
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Solution Overview
Problem
Existing NMR spectrum acquisition methods for low concentration samples are time-consuming due to the need for prolonged relaxation delays, leading to inefficient and inaccurate quantification.
Innovation Solution
A method involving a sequence of NMR scans with alternating long and short delay intervals, where a long delay interval ensures near-full relaxation, followed by short delay scans, and a correction factor is applied to compensate for signal decay, allowing for fast and accurate quantification.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If long relaxation delays are used between individual NMR scans to ensure full sample relaxation, then measurement precision is improved, but acquisition time increases significantly
Solution Approach 1:
The patent segments the NMR scan sequence into batches, where each batch contains multiple scans with short relaxation delays. After each batch, a longer relaxation delay is inserted before the next batch begins. This segmentation allows the system to accumulate sufficient signal averages within each batch while periodically allowing full relaxation, thereby reducing total acquisition time while maintaining quantification accuracy.
Solution Approach 2:
The patent implements periodic long relaxation delays between batches of scans, rather than using long delays after every scan. This periodic action pattern (short delay × N scans, then long delay) creates an efficient cycle that maintains signal intensity through frequent scanning while periodically restoring full relaxation, resolving the contradiction between speed and accuracy.
2Measurement precision
If multiple FIDs are acquired and accumulated to improve signal-to-noise ratio for accurate quantification, then measurement precision is improved, but the number of scans increases acquisition time
Solution Approach 1:
The patent divides the total number of required scans into multiple batches, with each batch containing a subset of scans that can be completed with short relaxation delays. This segmentation enables the system to accumulate the necessary signal-to-noise ratio through multiple scans while breaking the total acquisition into manageable segments separated by full relaxation periods, thereby improving overall acquisition efficiency.
Applied Scientific Principles
This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.
Function Achieved in This Case
Reduces the total acquisition time by up to a third while maintaining high accuracy, achieving results comparable to traditional methods with extended relaxation times.
Implementation Method 1
the NMR signal is produced by excitation of the nuclei sample with radio frequency (RF) pulses into nuclear magnetic resonance
Implementation Method 2
When placing a sample of molecules in a strong magnetic field, the atomic nuclei align with the magnetic field
Implementation Method 3
Decay times of the excitation, typically measured in seconds, depend on the effectiveness of relaxation
Data Source
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Figure 3~4A
AI summary
A system, method and computer program product are disclosed for fast quantitative NMR data acquisition for a plurality of NMR scans performed on a sample. The method performs a plurality of scan batches (B1 to B3) on the sample. Each batch comprises a long delay scan (LDS) performed after a long delay interval ensuring near-full relaxation of said nuclei, followed by a set of short delay scans (SDS*), each short delay scan performed after a short delay interval smaller than the long delay interval. Each scan is associated with a corresponding scan time point (t1 to t6) in relation to the long delay scan time point of the respective scan batch. For each corresponding scan time point, aggregated NMR spectrum portions (Saa to Saf) are determined showing a decay over time. The decay is fitted with an exponential decay function (610). An averaged integral loss is computed for each scan time point. For each NMR spectrum of the scan batches, an integral associated with a respective region of interest is multiplied with a corresponding correction factor. The integrals associated with the corrected NMR spectra in all batches (B1 to B3) are summed up to obtain a representation of the NMR signal intensity in the region of interest for said sample.