1H NMR Pure Shift Metabolomic Analysis of Black Tea.

IF 6.7 1区化学 Q1 CHEMISTRY, ANALYTICAL

Analytical Chemistry Pub Date : 2025-09-26 DOI:10.1021/acs.analchem.5c02005

Han Wang,Laura Castañar,Ralph W Adams,Stephen J Fowler,Gareth A Morris,Mathias Nilsson

引用次数: 0

Abstract

Pure shift NMR provides a significant improvement in resolution, by suppressing homonuclear scalar couplings, but at the cost of sensitivity. This work compares the untargeted metabolomic analysis results using different pure shift methods with those from conventional 1D 1H and 2D J-resolved experiments. The comparison was made on a selected set of black teas from two cultivars. Multivariate analysis results indicate that despite the lower sensitivity, the enhanced resolution pure shift NMR experiment produces comparable discrimination of the different varieties of black tea to that obtained with conventional 1D 1H NMR spectra. The combination of 2D J-resolved and PSYCHE (pure shift yielded by chirp excitation) spectra simplifies signal assignment, which is of importance in metabolomic studies.

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红茶的1H NMR纯位移代谢组学分析。

纯位移核磁共振通过抑制同核标量耦合，显著提高了分辨率，但以灵敏度为代价。这项工作比较了使用不同纯移位方法的非靶向代谢组学分析结果与传统1D 1H和2D j分辨实验的结果。对两种不同品种的红茶进行了比较。多因素分析结果表明，尽管灵敏度较低，但提高分辨率的纯移核磁共振实验对不同品种红茶的辨别效果与常规1D 1H核磁共振光谱相当。二维j分辨光谱和PSYCHE（啁啾激发产生的纯位移）光谱的结合简化了信号分配，这在代谢组学研究中具有重要意义。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Analytical Chemistry 化学-分析化学

CiteScore

12.10

自引率

12.20%

发文量

1949

审稿时长

1.4 months

期刊介绍： Analytical Chemistry, a peer-reviewed research journal, focuses on disseminating new and original knowledge across all branches of analytical chemistry. Fundamental articles may explore general principles of chemical measurement science and need not directly address existing or potential analytical methodology. They can be entirely theoretical or report experimental results. Contributions may cover various phases of analytical operations, including sampling, bioanalysis, electrochemistry, mass spectrometry, microscale and nanoscale systems, environmental analysis, separations, spectroscopy, chemical reactions and selectivity, instrumentation, imaging, surface analysis, and data processing. Papers discussing known analytical methods should present a significant, original application of the method, a notable improvement, or results on an important analyte.