首页|期刊导航|波谱学杂志|基于纵向多自旋阶与Hadamard编码拥挤NMR谱解析

基于纵向多自旋阶与Hadamard编码拥挤NMR谱解析OA

Resolving Crowded NMR Spectra Based on Longitudinal Multi-spin Order and Hadamard Encoding

中文摘要英文摘要

一维核磁共振(NMR)是一种高分辨率的非侵入式检测技术,广泛应用于化合物结构解析与组分分析.然而,在复杂体系检测中,化学位移接近和 J偶合导致的谱峰重叠,以及组分浓度差异引起的弱信号淹没,使得低浓度化合物检测面临挑战.为提高拥挤谱区弱信号的检测灵敏度,本文提出了一种基于纵向多自旋阶、Hadamard 编码和二量子滤波的融合方法——Hadamard-DQF-LMO.该方法通过二量子滤波器实现纵向多自旋阶检测,显著抑制强信号对弱信号干扰;结合多色跃迁脉冲和 Hadamard 编码翻转脉冲,实现了多频点的并行采样,进一步提升灵敏度和检测效率.实验结果表明,该方法可有效分离橙汁和混合氨基酸样品中的重叠谱峰,其选择性和信噪比提升效果显著,为复杂体系的 NMR分析提供了新策略.

One-dimensional proton nuclear magnetic resonance(NMR)spectroscopy is a high-resolution,non-invasive technique widely used for structure elucidation and composition analysis.However,when applied to complex systems,its effectiveness is often hampered by overlapping peaks from similar chemical shifts and J-coupling,along with concentration variations obscuring weak signals from low-abundance compounds.To enhance the detection sensitivity for weak signals in crowded spectral regions,this work proposes Hadamard-DQF-LMO,integrating longitudinal multi-spin orders(LMOs),Hadamard encoding,and double quantum filtering(DQF).The approach utilizes DQF to selectively detect LMO signals while suppressing strong interference.The incorporation of polychromatic transition pulses and Hadamard-encoded 180° pulses enables parallel acquisition of multiple frequencies,which significantly improves both sensitivity and detection efficiency.Experiments on orange juice and mixed amino acid samples demonstrate peak separation with enhanced selectivity and signal-to-noise ratio(SNR),offering a novel and effective strategy for the NMR analysis of complex systems.

李雪婷;梁伟;张欣彤;崔梦琪;林玉兰

厦门大学电子科学系,福建省等离子体与磁共振重点实验室,福建 厦门 361005厦门大学电子科学系,福建省等离子体与磁共振重点实验室,福建 厦门 361005厦门大学电子科学系,福建省等离子体与磁共振重点实验室,福建 厦门 361005厦门大学电子科学系,福建省等离子体与磁共振重点实验室,福建 厦门 361005厦门大学电子科学系,福建省等离子体与磁共振重点实验室,福建 厦门 361005

数理科学

磁共振波谱Hadamard编码纵向多自旋阶二量子相干

MRSHadamard encodinglongitudinal multi-spin ordersdouble quantum coherence

《波谱学杂志》 2026 (2)

125-135,11

国家自然科学基金资助项目(12475297).

10.11938/cjmr20253179

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