Analytica chimica acta · 2026
Ultra-selective 2D NMR DOSY with preserved J-coupling.
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Zhu Wen, Shi Xiaoqi, Zheng Xiaoxu, Qiu Mengjie, Chen Zhong, Lin Yanqin
Аннотация
BACKGROUND: Diffusion-ordered spectroscopy (DOSY) is a powerful nuclear magnetic resonance (NMR) technique for analyzing the components of complex mixtures. However, severe signal overlap in 1H NMR often complicates accurate diffusion coefficient measurements and component identification. This problem is particularly pronounced in multicomponent mixtures containing structurally related compounds.
RESULTS: We have developed an ultra-selective DOSY method termed US-DOSY, which combines the GEMSTONE ultra-selective module with the conventional BPPSTE-LED DOSY method. By selectively isolating individual J-coupled multiplets from overlapped regions, US-DOSY enables more accurate diffusion measurements while retaining the scalar-coupling patterns useful for structural verification. The effectiveness of US-DOSY is demonstrated through the analysis of three mixtures, including a concentrated eight-component Fischer-Tropsch wastewater model mixture. US-DOSY enables more reliable resonance assignment and component-specific diffusion analysis.
SIGNIFICANCE: This method serves as a valuable complement to existing NMR techniques and provides a useful targeted NMR tool for high-resolution analysis of complex mixtures.
RESULTS: We have developed an ultra-selective DOSY method termed US-DOSY, which combines the GEMSTONE ultra-selective module with the conventional BPPSTE-LED DOSY method. By selectively isolating individual J-coupled multiplets from overlapped regions, US-DOSY enables more accurate diffusion measurements while retaining the scalar-coupling patterns useful for structural verification. The effectiveness of US-DOSY is demonstrated through the analysis of three mixtures, including a concentrated eight-component Fischer-Tropsch wastewater model mixture. US-DOSY enables more reliable resonance assignment and component-specific diffusion analysis.
SIGNIFICANCE: This method serves as a valuable complement to existing NMR techniques and provides a useful targeted NMR tool for high-resolution analysis of complex mixtures.