生物样品中低浓度胆汁酸的氢核磁共振（H NMR）和碳核磁共振（C NMR）光谱归属

H and C NMR spectral assignments for low-concentration bile acids in biological samples.

作者信息

Lin Hong, He Junbo, Zhang Weinong, Tang Huiru

机构信息

MOE Key Laboratory for Deep Processing of Major Grain and Oil, School of Food Science and Engineering, Wuhan Polytechnic University, Wuhan, 430023, China.

State Key Laboratory of Genetic Engineering, School of Life Sciences, Human Phenome Institute, Zhangjiang Fudan International Innovation Center, Metabonomics and Systems Biology Laboratory at Shanghai International Centre for Molecular Phenomics, Zhongshan Hospital, Fudan University, Shanghai, 200032, China.

出版信息

Magn Reson Lett. 2023 Jul 26;3(4):277-285. doi: 10.1016/j.mrl.2023.07.001. eCollection 2023 Nov.

DOI:10.1016/j.mrl.2023.07.001

PMID:40919506

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12406570/

Abstract

Bile acids are the main body of enterohepatic circulation . They have essential functions such as emulsifying fat, bacteriostasis and regulating multiple metabolic pathways as signal molecules. However, the assignments of NMR signals for some low-concentration bile acids are still needed. This study combined 1D nuclear magnetic resonance (NMR) and 2D NMR techniques including H-H correlation spectroscopy (COSY), H-H total correlation spectroscopy (TOCSY), H -resolved spectroscopy (-Res), H-C heteronuclear single quantum coherence spectroscopy (HSQC), and H-C heteronuclear multiple bond correlation spectroscopy (HMBC) to assign the H and C signals of six bile acids in aqueous solution at physiological pH (∼7.4) and nine bile acids in methanol. These data are of importance to the NMR-based studies on lipid digestion, absorption, and metabolism.

摘要

胆汁酸是肠肝循环的主要组成部分。它们具有乳化脂肪、抑菌以及作为信号分子调节多种代谢途径等重要功能。然而，一些低浓度胆汁酸的核磁共振信号归属仍有待确定。本研究结合一维核磁共振（NMR）和二维核磁共振技术，包括氢-氢相关光谱（COSY）、氢-氢全相关光谱（TOCSY）、氢去耦谱（-Res）、氢-碳异核单量子相干光谱（HSQC）以及氢-碳异核多键相关光谱（HMBC），对生理pH（约7.4）水溶液中的六种胆汁酸和甲醇中的九种胆汁酸的氢信号和碳信号进行归属。这些数据对于基于核磁共振的脂质消化、吸收和代谢研究具有重要意义。