选择(遗传算法)
核磁共振波谱
化学
光谱学
纳米技术
计算机科学
核磁共振
材料科学
人工智能
物理
量子力学
作者
Amy Jenne,Wolfgang Bermel,Carl A. Michal,Oliver Gruschke,Ronald Soong,Rajshree Ghosh Biswas,Monica Bastawrous,André J. Simpson
出处
期刊:Angewandte Chemie
[Wiley]
日期:2022-02-15
卷期号:61 (19): e202110044-e202110044
被引量:32
标识
DOI:10.1002/anie.202110044
摘要
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 1 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.
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