Department of Chemistry and California Institute for Quantitative Biosciences and §Biophysics Graduate Group and California Institute for Quantitative Biosciences, University of California Berkeley , Berkeley, California 94720, United States.
J Am Chem Soc. 2014 Jan 8;136(1):164-8. doi: 10.1021/ja406760r. Epub 2013 Dec 18.
Nuclear magnetic resonance (NMR) can reveal the chemical constituents of a complex mixture without resorting to chemical modification, separation, or other perturbation. Recently, we and others have developed magnetic resonance agents that report on the presence of dilute analytes by proportionately altering the response of a more abundant or easily detected species, a form of amplification. One example of such a sensing medium is xenon gas, which is chemically inert and can be optically hyperpolarized, a process that enhances its NMR signal by up to 5 orders of magnitude. Here, we use a combinatorial synthetic approach to produce xenon magnetic resonance sensors that respond to small molecule analytes. The sensor responds to the ligand by producing a small chemical shift change in the Xe NMR spectrum. We demonstrate this technique for the dye, Rhodamine 6G, for which we have an independent optical assay to verify binding. We thus demonstrate that specific binding of a small molecule can produce a xenon chemical shift change, suggesting a general approach to the production of xenon sensors targeted to small molecule analytes for in vitro assays or molecular imaging in vivo.
核磁共振（NMR）可以在不进行化学修饰、分离或其他干扰的情况下，揭示复杂混合物的化学成分。最近，我们和其他人开发了磁共振试剂，通过使更丰富或更容易检测到的物质的响应成比例地改变来报告稀分析物的存在，这是一种放大形式。这种传感介质的一个例子是氙气，它是化学惰性的，并且可以进行光学超极化，该过程可将其 NMR 信号增强高达 5 个数量级。在这里，我们使用组合合成方法来生产响应小分子分析物的氙气磁共振传感器。传感器通过在 Xe NMR 光谱中产生小的化学位移变化来响应配体。我们用染料 Rhodamine 6G 证明了这项技术，我们有一个独立的光学分析来验证结合。因此，我们证明了小分子的特异性结合可以产生氙气化学位移变化，这表明针对小分子分析物的氙气传感器的生产具有普遍性，可用于体外分析或体内分子成像。
