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梦幻时光核磁共振光谱法:具有更低检测限的靶向多化合物选择。

DREAMTIME NMR Spectroscopy: Targeted Multi-Compound Selection with Improved Detection Limits.

作者信息

Jenne Amy, Bermel Wolfgang, Michal Carl A, Gruschke Oliver, Soong Ronald, Ghosh Biswas Rajshree, Bastawrous Monica, Simpson Andre J

机构信息

Environmental NMR Centre, University of Toronto Scarborough, 1265 Military Trail, Toronto, ON, M1C 1A4, Canada.

Bruker BioSpin GmbH, Rudolf-Plank-Strasse 23, 76275, Ettlingen, Germany.

出版信息

Angew Chem Int Ed Engl. 2022 May 2;61(19):e202110044. doi: 10.1002/anie.202110044. Epub 2022 Feb 24.

Abstract

NMR/MRI are critical tools for studying molecular structure and interactions but suffer from relatively low sensitivity and spectral overlap. Here, a Nuclear Magnetic Resonance (NMR) approach, termed DREAMTIME, is introduced that provides "a molecular window" inside complex systems, capable of showing only what the user desires, with complete molecular specificity. The user chooses a list of molecules of interest, and the approach detects only those targets while all other molecules are invisible. The approach is demonstrated in whole human blood and urine, small living aquatic organisms in 1D/2D NMR, and MRI. Finally, as proof-of-concept, once overlap is removed via DREAMTIME, a novel "multi-focusing" approach can be used to increase sensitivity. In human blood and urine, sensitivity increases of 7-12 fold over standard H NMR are observed. Applicable even to unknowns, DREAMTIME has widespread application, from monitoring product formation in organic chemistry to monitoring/identifying suites of molecular targets in complex media or in vivo.

摘要

核磁共振/磁共振成像(NMR/MRI)是研究分子结构和相互作用的关键工具,但存在灵敏度相对较低和光谱重叠的问题。在此,引入了一种名为DREAMTIME的核磁共振(NMR)方法,该方法能在复杂系统中提供“分子窗口”,仅显示用户想要的内容,具有完全的分子特异性。用户选择感兴趣的分子列表,该方法仅检测那些目标,而所有其他分子则不可见。该方法在全血、尿液、一维/二维核磁共振中的小型水生生物活体以及磁共振成像中得到了验证。最后,作为概念验证,一旦通过DREAMTIME消除了重叠,就可以使用一种新颖的“多重聚焦”方法来提高灵敏度。在全血和尿液中,观察到与标准氢核磁共振相比灵敏度提高了7至12倍。DREAMTIME甚至适用于未知物,具有广泛的应用,从监测有机化学中的产物形成到监测/识别复杂介质或体内的分子靶点组合。

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